Isolating the effects of reactivity stratification in reactivity-controlled compression ignition with iso-octane and n-heptane on a light-duty multi-cylinder engine

DOE PAGES

Wissink, Martin L.; Curran, Scott J.; Roberts, Greg; ...

2017-10-09

Reactivity-controlled compression ignition (RCCI) is a dual-fuel variant of low-temperature combustion that uses in-cylinder fuel stratification to control the rate of reactions occurring during combustion. Using fuels of varying reactivity (autoignition propensity), gradients of reactivity can be established within the charge, allowing for control over combustion phasing and duration for high efficiency while achieving low NO x and soot emissions. In practice, this is typically accomplished by premixing a low-reactivity fuel, such as gasoline, with early port or direct injection, and by direct injecting a high-reactivity fuel, such as diesel, at an intermediate timing before top dead center. Both themore » relative quantity and the timing of the injection(s) of high-reactivity fuel can be used to tailor the combustion process and thereby the efficiency and emissions under RCCI. While many combinations of high- and low-reactivity fuels have been successfully demonstrated to enable RCCI, there is a lack of fundamental understanding of what properties, chemical or physical, are most important or desirable for extending operation to both lower and higher loads and reducing emissions of unreacted fuel and CO. This is partly due to the fact that important variables such as temperature, equivalence ratio, and reactivity change simultaneously in both a local and a global sense with changes in the injection of the high-reactivity fuel. This study uses primary reference fuels iso-octane and n-heptane, which have similar physical properties but much different autoignition properties, to create both external and in-cylinder fuel blends that allow for the effects of reactivity stratification to be isolated and quantified. This study is part of a collaborative effort with researchers at Sandia National Laboratories who are investigating the same fuels and conditions of interest in an optical engine. Furthermore, this collaboration aims to improve our fundamental understanding of what fuel properties are required to further develop advanced combustion modes.« less

Compositional effects on the ignition of FACE gasolines [Compositional effects on the ignition of FACE gasoline fuels: experiments, surrogate fuel formulation, and chemical kinetic modeling

DOE PAGES

Sarathy, S. Mani; Kukkadapu, Goutham; Mehl, Marco; ...

2016-05-08

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. Here, this study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressuresmore » of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n-heptane, iso-octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. Finally, a key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition.« less

Compositional effects on the ignition of FACE gasolines [Compositional effects on the ignition of FACE gasoline fuels: experiments, surrogate fuel formulation, and chemical kinetic modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarathy, S. Mani; Kukkadapu, Goutham; Mehl, Marco

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. Here, this study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressuresmore » of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n-heptane, iso-octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. Finally, a key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition.« less

1,4-hydroxycarbonyl products of the OH radical initiated reactions of C5-C8 n-alkanes in the presence of NO.

PubMed

Reisen, Fabienne; Aschmann, Sara M; Atkinson, Roger; Arey, Janet

2005-06-15

Alkanes account for approximately 50% of nonmethane organic compounds present in urban atmospheres. Previous studies have shown that hydroxycarbonyls are important products ofthe OH radical initiated reactions of > or = C5 n-alkanes, but isomer-specific identifications and quantifications of these products have not been carried out. In this work, we have used solid-phase microextraction fibers precoated with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine for on-fiber derivatization of carbonyl-containing compounds with subsequent analyses by combined gas chromatography-mass spectrometry (GC-MS) and GC with flame ionization detection (GC-FID). GC-MS analyses showed the presence of the oximes of 5-hydroxy-2-pentanone and 4-hydroxypentanal from the n-pentane reaction; 5-hydroxy-2-hexanone, 6-hydroxy-3-hexanone, and 4-hydroxyhexanal from the n-hexane reaction; 5-hydroxy-2-heptanone, 6-hydroxy-3-heptanone, 1-hydroxy-4-heptanone, and 4-hydroxyheptanal from the n-heptane reaction; and 5-hydroxy-2-octanone, 6-hydroxy-3-octanone, 7-hydroxy-4-octanone, and 4-hydroxyoctanal from the n-octane reaction. The formation yields of these 1,4-hydroxycarbonyls were determined from GC-FID analyses. By use of the yields of 1,4-hydroxycarbonyls formed from n-hexane, n-heptane, and n-octane at 50% relative humidity (and those from n-pentane at both 5 and 50% relative humidity), then formation of 1,4-hydroxycarbonyls accounts for 54% of the reaction products from n-pentane, 57% from n-hexane, 51% from n-heptane, and 53% from n-octane. Combined with previously measured yields of carbonyls, alkyl nitrates, and hydroxyalkyl nitrates, we can now accountfor approximately 74-118% of the products formed from the n-pentane through n-octane reactions.

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

DOE PAGES

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; ...

2017-02-05

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

The Impact of Low Octane Hydrocarbon Blending Streams on Ethanol Engine Optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szybist, James P; West, Brian H

2013-01-01

Ethanol is a very attractive fuel from an end-use perspective because it has a high chemical octane number and a high latent heat of vaporization. When an engine is optimized to take advantage of these fuel properties, both efficiency and power can be increased through higher compression ratio, direct fuel injection, higher levels of boost, and a reduced need for enrichment to mitigate knock or protect the engine and aftertreatment system from overheating. The ASTM D5798 specification for high level ethanol blends, commonly called E85, underwent a major revision in 2011. The minimum ethanol content was revised downward from 68more » vol% to 51 vol%, which combined with the use of low octane blending streams such as natural gasoline introduces the possibility of a lower octane E85 fuel. While this fuel is suitable for current ethanol tolerant flex fuel vehicles, this study experimentally examines whether engines can still be aggressively optimized for the resultant fuel from the revised ASTM D5798 specification. The performance of six ethanol fuel blends, ranging from 51-85% ethanol, is compared to a premium-grade certification gasoline (UTG-96) in a single-cylinder direct-injection (DI) engine with a compression ratio of 12.9:1 at knock-prone engine conditions. UTG-96 (RON = 96.1), light straight run gasoline (RON = 63.6), and n-heptane (RON = 0) are used as the hydrocarbon blending streams for the ethanol-containing fuels in an effort to establish a broad range of knock resistance for high ethanol fuels. Results show that nearly all ethanol-containing fuels are more resistant to engine knock than UTG-96 (the only exception being the ethanol blend with 49% n-heptane). This knock resistance allows ethanol blends made with 33 and 49% light straight run gasoline, and 33% n-heptane to be operated at significantly more advanced combustion phasing for higher efficiency, as well as at higher engine loads. While experimental results show that the octane number of the hydrocarbon blend stock does impact engine performance, there remains a significant opportunity for engine optimization when considering even the lowest octane fuels that are in compliance with the current revision of ASTM D5798 compared to premium-grade gasoline.« less

High-quality Italian rice cultivars: chemical indices of ageing and aroma quality.

PubMed

Griglione, Alessandra; Liberto, Erica; Cordero, Chiara; Bressanello, Davide; Cagliero, Cecilia; Rubiolo, Patrizia; Bicchi, Carlo; Sgorbini, Barbara

2015-04-01

The volatile fractions of six Italian high-quality rice cultivars were investigated by HS-SPME-GC-MS to define fingerprinting and identify chemical markers and/or indices of ageing and aroma quality. In particular, four non-aromatic (Carnaroli, Carnise, Cerere and Antares) and two aromatic (Apollo and Venere) rices, harvested in 2010 and 2011, were monitored over 12months. Twenty-five aroma components were considered and, despite considerable inter-annual variability, some of them showed similar trends over time, including 2-(E)-octenal as a marker of ageing for all cultivars, and heptanal, octanal and 2-ethyl hexanol as cultivar-specific indicators. The area ratios 2-acetyl-1-pyrroline/1-octen-3-ol, for Venere, and 3-methyl-1-butanol/2-methyl-1-butanol, for Apollo, were also found to act as ageing indices. Additional information on release of key-aroma compounds was also obtained from quantitation and its dependence on grain shape and chemical composition. Heptanal/1-octen-3-ol and heptanal/octanal ratios were also defined as characterising the aroma quality indices of the six Italian rice cultivars investigated. Copyright © 2014 Elsevier Ltd. All rights reserved.

Formation of fatty acids in photochemical conversions of saturated hydrocarbons

NASA Technical Reports Server (NTRS)

Telegina, T. A.; Pavlovskaya, T. Y.; Ladyzhenskaya, A. I.

1977-01-01

Abiogenic synthesis of fatty acids was studied in photochemical conversions of saturated hydrocarbons. It was shown that, in a hydrocarbon water CaCO3 suspension, the action of 254 nm UV rays caused the formation of fatty acids with a maximum number of carbon atoms in the chain not exceeding that in the initial hydrocarbon. Synthesis of acetic, propionic, butyric, valeric, caproic, enanthic and caprylic (in the case of octane) acids occurs in heptane water CaCO3 and octane water CaCO3 systems.

The impact of physicochemical property interactions of iso -octane/ethanol blends on ignition timescales

DOE PAGES

Barraza-Botet, Cesar L.; Luecke, Jon; Zigler, Bradley T.; ...

2018-03-20

This work presents new measurements of liquid fuel ignition delay times of iso-octane and ethanol fuel blends obtained from an ignition quality tester at the National Renewable Energy Laboratory (NREL IQT), which are compared to previous ignition delay data from the University of Michigan rapid compression facility (UM RCF), at the same experimental conditions. Pressure-time histories were used to determine liquid fuel ignition delays at global stoichiometric non-premixed conditions for iso-octane, ethanol and iso-octane/ethanol blends of 25, 50, 75% by volume in mixtures of 10% oxygen diluted in nitrogen. Temperatures ranging from 880 to 970 K were studied at amore » pressure of 10 atm. By comparing total ignition delay times from the NREL IQT with chemical ignition delay times from the UM RCF, the contributions of physical phenomena were quantified as representative time scales for spray injection, breakup and evaporation processes, and for gas-phase turbulent mixing. Regression analyses were developed for ignition time scales as function of blend level and charge temperature. Non-dimensional analyses were also carried out to determine the relative effects of physical time scales with respect to chemical ignition delay times.« less

The impact of physicochemical property interactions of iso -octane/ethanol blends on ignition timescales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barraza-Botet, Cesar L.; Luecke, Jon; Zigler, Bradley T.

This work presents new measurements of liquid fuel ignition delay times of iso-octane and ethanol fuel blends obtained from an ignition quality tester at the National Renewable Energy Laboratory (NREL IQT), which are compared to previous ignition delay data from the University of Michigan rapid compression facility (UM RCF), at the same experimental conditions. Pressure-time histories were used to determine liquid fuel ignition delays at global stoichiometric non-premixed conditions for iso-octane, ethanol and iso-octane/ethanol blends of 25, 50, 75% by volume in mixtures of 10% oxygen diluted in nitrogen. Temperatures ranging from 880 to 970 K were studied at amore » pressure of 10 atm. By comparing total ignition delay times from the NREL IQT with chemical ignition delay times from the UM RCF, the contributions of physical phenomena were quantified as representative time scales for spray injection, breakup and evaporation processes, and for gas-phase turbulent mixing. Regression analyses were developed for ignition time scales as function of blend level and charge temperature. Non-dimensional analyses were also carried out to determine the relative effects of physical time scales with respect to chemical ignition delay times.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Kamal; Zhang, Yu; Sung, Chi -Jen

We study the influence of blending n-butanol on the ignition delay times of n-heptane and iso-octane, the primary reference fuels for gasoline. The ignition delay times are measured using a rapid compression machine, with an emphasis on the low-to-intermediate temperature conditions. The experiments are conducted at equivalence ratios of 0.4 and 1.0, for a compressed pressure of 20 bar, with the temperatures at the end of compression ranging from 613 K to 979 K. The effect of n-butanol addition on the development of the two-stage ignition characteristics for the two primary reference fuels is also examined. The experimental results aremore » compared to predictions obtained using a detailed chemical kinetic mechanism, which has been obtained by a systematic merger of previously reported base models for the combustion of the individual fuel constituents. In conclusion, a sensitivity analysis on the base, and the merged models, is also performed to understand the dependence of autoignition delay times on the model parameters.« less

Temperature- and pressure-dependent absorption cross sections of gaseous hydrocarbons at 3.39 µm

NASA Astrophysics Data System (ADS)

Klingbeil, A. E.; Jeffries, J. B.; Hanson, R. K.

2006-07-01

The pressure- and temperature-dependent absorption cross sections of several neat hydrocarbons and multi-component fuels are measured using a 3.39 µm helium-neon laser. Absorption cross section measurements are reported for methane, ethylene, propane, n-heptane, iso-octane, n-decane, n-dodecane, JP-10, gasoline and jet-A with an estimated uncertainty of less than 3.5%. The experimental conditions range from 298 to 673 K and from 500 to 2000 Torr with nitrogen as the bath gas. An apparatus is designed to facilitate these measurements, and specific care is taken to ensure the compositional accuracy of the hydrocarbon/N2 mixtures. The absorption cross sections of the smallest hydrocarbons, methane and ethylene, vary with temperature and pressure. The cross sections of larger hydrocarbons show negligible dependence on pressure and only a weak dependence on temperature. The reported data increase the range of conditions and the number of hydrocarbons for which cross section measurements are available at the HeNe laser wavelength.

The role of correlations in uncertainty quantification of transportation relevant fuel models

DOE PAGES

Fridlyand, Aleksandr; Johnson, Matthew S.; Goldsborough, S. Scott; ...

2017-02-03

Large reaction mechanisms are often used to describe the combustion behavior of transportation-relevant fuels like gasoline, where these are typically represented by surrogate blends, e.g., n-heptane/iso-octane/toluene. We describe efforts to quantify the uncertainty in the predictions of such mechanisms at realistic engine conditions, seeking to better understand the robustness of the model as well as the important reaction pathways and their impacts on combustion behavior. In this work, we examine the importance of taking into account correlations among reactions that utilize the same rate rules and those with multiple product channels on forward propagation of uncertainty by Monte Carlo simulations.more » Automated means are developed to generate the uncertainty factor assignment for a detailed chemical kinetic mechanism, by first uniquely identifying each reacting species, then sorting each of the reactions based on the rate rule utilized. Simulation results reveal that in the low temperature combustion regime for iso-octane, the majority of the uncertainty in the model predictions can be attributed to low temperature reactions of the fuel sub-mechanism. The foundational, or small-molecule chemistry (C 0-C 4) only contributes significantly to uncertainties in the predictions at the highest temperatures (Tc=900 K). Accounting for correlations between important reactions is shown to produce non-negligible differences in the estimates of uncertainty. Including correlations among reactions that use the same rate rules increases uncertainty in the model predictions, while accounting for correlations among reactions with multiple branches decreases uncertainty in some cases. Significant non-linear response is observed in the model predictions depending on how the probability distributions of the uncertain rate constants are defined.Finally, we concluded that care must be exercised in defining these probability distributions in order to reduce bias, and physically unrealistic estimates in the forward propagation of uncertainty for a range of UQ activities.« less

Niosh analytical methods for Set G

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1976-12-01

Industrial Hygiene sampling and analytical monitoring methods validated under the joint NIOSH/OSHA Standards Completion Program for Set G are contained herein. Monitoring methods for the following compounds are included: butadiene, heptane, ketene, methyl cyclohexane, octachloronaphthalene, pentachloronaphthalene, petroleum distillates, propylene dichloride, turpentine, dioxane, hexane, LPG, naphtha(coal tar), octane, pentane, propane, and stoddard solvent.

Effects of Fuel Laminar Flame Speed Compared to Engine Tumble Ratio, Ignition Energy, and Injection Strategy on Lean and EGR Dilute Spark Ignition Combustion

DOE PAGES

Kolodziej, Christopher P.; Pamminger, Michael; Sevik, James; ...

2017-03-28

Previously we show that fuels with higher laminar flame speed also have increased tolerance to EGR dilution. In this work, the effects of fuel laminar flame speed on both lean and EGR dilute spark ignition combustion stability were examined. Fuels blends of pure components (iso-octane, n-heptane, toluene, ethanol, and methanol) were derived at two levels of laminar flame speed. Each fuel blend was tested in a single-cylinder spark-ignition engine under both lean-out and EGR dilution sweeps until the coefficient of variance of indicated mean effective pressure increased above thresholds of 3% and 5%. The relative importance of fuel laminar flamemore » speed to changes to engine design parameters (spark ignition energy, tumble ratio, and port vs. direct injection) was also assessed. Our results showed that fuel laminar flame speed can have as big an effect on lean or EGR dilute engine operation as engine design parameters, with the largest effects seen during EGR dilute operation and when changes were made to cylinder charge motion.« less

Effects of Fuel Laminar Flame Speed Compared to Engine Tumble Ratio, Ignition Energy, and Injection Strategy on Lean and EGR Dilute Spark Ignition Combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolodziej, Christopher P.; Pamminger, Michael; Sevik, James

Previously we show that fuels with higher laminar flame speed also have increased tolerance to EGR dilution. In this work, the effects of fuel laminar flame speed on both lean and EGR dilute spark ignition combustion stability were examined. Fuels blends of pure components (iso-octane, n-heptane, toluene, ethanol, and methanol) were derived at two levels of laminar flame speed. Each fuel blend was tested in a single-cylinder spark-ignition engine under both lean-out and EGR dilution sweeps until the coefficient of variance of indicated mean effective pressure increased above thresholds of 3% and 5%. The relative importance of fuel laminar flamemore » speed to changes to engine design parameters (spark ignition energy, tumble ratio, and port vs. direct injection) was also assessed. Our results showed that fuel laminar flame speed can have as big an effect on lean or EGR dilute engine operation as engine design parameters, with the largest effects seen during EGR dilute operation and when changes were made to cylinder charge motion.« less

Autoignition response of n-butanol and its blend with primary reference fuel constituents of gasoline.

DOE PAGES

Kumar, Kamal; Zhang, Yu; Sung, Chi -Jen; ...

2015-04-13

We study the influence of blending n-butanol on the ignition delay times of n-heptane and iso-octane, the primary reference fuels for gasoline. The ignition delay times are measured using a rapid compression machine, with an emphasis on the low-to-intermediate temperature conditions. The experiments are conducted at equivalence ratios of 0.4 and 1.0, for a compressed pressure of 20 bar, with the temperatures at the end of compression ranging from 613 K to 979 K. The effect of n-butanol addition on the development of the two-stage ignition characteristics for the two primary reference fuels is also examined. The experimental results aremore » compared to predictions obtained using a detailed chemical kinetic mechanism, which has been obtained by a systematic merger of previously reported base models for the combustion of the individual fuel constituents. In conclusion, a sensitivity analysis on the base, and the merged models, is also performed to understand the dependence of autoignition delay times on the model parameters.« less

Nonlinear effects of stretch on the flame front propagation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halter, F.; Tahtouh, T.; Mounaim-Rousselle, C.

2010-10-15

In all experimental configurations, the flames are affected by stretch (curvature and/or strain rate). To obtain the unstretched flame speed, independent of the experimental configuration, the measured flame speed needs to be corrected. Usually, a linear relationship linking the flame speed to stretch is used. However, this linear relation is the result of several assumptions, which may be incorrected. The present study aims at evaluating the error in the laminar burning speed evaluation induced by using the traditional linear methodology. Experiments were performed in a closed vessel at atmospheric pressure for two different mixtures: methane/air and iso-octane/air. The initial temperaturesmore » were respectively 300 K and 400 K for methane and iso-octane. Both methodologies (linear and nonlinear) are applied and results in terms of laminar speed and burned gas Markstein length are compared. Methane and iso-octane were chosen because they present opposite evolutions in their Markstein length when the equivalence ratio is increased. The error induced by the linear methodology is evaluated, taking the nonlinear methodology as the reference. It is observed that the use of the linear methodology starts to induce substantial errors after an equivalence ratio of 1.1 for methane/air mixtures and before an equivalence ratio of 1 for iso-octane/air mixtures. One solution to increase the accuracy of the linear methodology for these critical cases consists in reducing the number of points used in the linear methodology by increasing the initial flame radius used. (author)« less

Effect of ionizing radiation on physicochemical and mechanical properties of commercial multilayer coextruded flexible plastics packaging materials

NASA Astrophysics Data System (ADS)

Goulas, Antonios E.; Riganakos, Kyriakos A.; Kontominas, Michael G.

2003-12-01

The effect of gamma radiation (doses: 5, 10 and 30 kGy) on mechanical properties, gas and water vapour permeability and overall migration values into distilled water, 3% aqueous acetic acid and iso-octane was studied for a series of commercial multilayer flexible packaging materials based on coextruded polypropylene (PP), ethylene vinyl alcohol (EVOH), low-density polyethylene (LDPE), linear low-density polyethylene (LLDPE), polyamide (PA) and Ionomer. The results showed that radiation doses of 5 and 10 kGy induced no statistically significant differences ( p>0.05) in all polymer properties examined. A dose of 30 kGy induced differences ( p<0.05) in the mechanical properties of PA/LDPE, LDPE/EVOH/LDPE and LDPE/PA/Ionomer films. In addition, the same dose induced differences ( p<0.05) in the overall migration from Ionomer/EVOH/LDPE and LDPE/PA/Ionomer films into 3% acetic acid and iso-octane and in the overall migration from PP/EVOH/LDPE-LLDPE into iso-octane. Differences recorded, are discussed in relation to food irradiation applications of respective packaging materials.

Effects of Fuel Composition on EGR Dilution Tolerance in Spark Ignited Engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szybist, James P

2016-01-01

Fuel-specific differences in exhaust gas recirculation (EGR) dilution tolerance are studied in a modern, direct-injection single-cylinder research engine. A total of 6 model fuel blends are examined at a constant research octane number (RON) of 95 using n-heptane, iso-octane, toluene, and ethanol. Laminar flame speeds for these mixtures, which were calculated two different methods (an energy fraction mixing rule and a detailed kinetic simulation), spanned a range of about 6 cm/s. A constant fueling nominal load of 350 kPa IMEPg at 2000 rpm was operated with varying CA50 from 8-20 CAD aTDCf, and with EGR increasing until a COV ofmore » IMEP of 5% is reached. The results illustrate that flame speed affects EGR dilution tolerance; fuels with increased flame speeds increase EGR tolerance. Specifically, flame speed correlates most closely to the initial flame kernel growth, measured as the time of ignition to 5% mass fraction burned. The effect of the latent heat of vaporization on the flame speed is taken into account for the ethanol-containing fuels. At a 30 vol% blend level, the increased enthalpy of vaporization of ethanol compared to conventional hydrocarbons can decrease the temperature at the time of ignition by a maximum of 15 C, which can account for up to a 3.5 cm/s decrease in flame speed. The ethanol-containing fuels, however, still exhibit a flame speed advantage, and a dilution tolerance advantage over the slower flame-speed fuels. The fuel-specific differences in dilution tolerance are significant at the condition examined, allowing for a 50% relative increase in EGR (4% absolute difference in EGR) at a constant COV of IMEP of 3%.« less

Cooked carrot volatiles. AEDA and odor activity comparisons. Identification of linden ether as an important aroma component.

PubMed

Buttery, Ron G; Takeoka, Gary R

2013-09-25

MS with GC-RI evidence was found for the presence of linden ether in cooked carrot (Daucus carota). Evaluation of the GC effluent from cooked carrot volatiles using aroma extract dilution analysis (AEDA) found linden ether with the highest flavor dilution (FD) factor. Others with 10-fold lower FD factors were β-ionone, eugenol, the previously unidentified β-damascenone, (E)-2-nonenal, octanal (+ myrcene), and heptanal. All other previously identified volatiles showed lower FD factors. Odor thresholds, concentrations, and odor activity values of previously identified compounds are reviewed. This indicated that at least 20 compounds occur in cooked carrots above their odor thresholds (in water). Compounds showing the highest odor activity values included β-damascenone, (E)-2-nonenal, (E,E)-2,4-decadienal, β-ionone, octanal, (E)-2-decenal, eugenol, and p-vinylguaiacol.

Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injectionmore » strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still significant, influence. Lastly, temperature stratification had a negligible influence due to the NTC behavior of the PRF mixtures.« less

Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

DOE PAGES

Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

2015-04-23

We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injectionmore » strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still significant, influence. Lastly, temperature stratification had a negligible influence due to the NTC behavior of the PRF mixtures.« less

Modeling Joint Effects of Mixtures of Chemicals on Microorganisms Using Quantitative Structure Activity Relationships

DTIC Science & Technology

1993-08-22

Cyclohexane Alk 74 133 26 Pentane Alk 70 150 27 Hexane Alk 38 47 28 Heptane Alk 18 58 29 Octane Alk 8 60 30 Bis (2-chloroethyl) ether Alc 1,600 3,025 31...Triethanolarnine Amni 900 741 SAro- aromatic; Hal- balogemmaed aliphatic; Alk - alkanes; Alc- alcohols, este’s, ketones and et Aji- amineL -5- Correlation...chemicals using laboratory grown activated sludge by synthetic feed. They adapted the OECD Method 209, using inhibition of oxygen uptake rate as the measure

Testing of Fire Fighting Foam.

DTIC Science & Technology

1980-11-01

for Fresh and Sea Water ( MIL - F - 24385 ); -(C) Underwriters Laboratories Inc. S andard for Air Foam Equipment and Liquid Con- centrates (UL162);4D...C. Test Facilities 6 D. Test Procedures 7 III. Results of Tests A. FRN-1007 33 B. MIL - F - 24385 34 C. UL 162 34 D. O- F -555C 35 E. Foam Quality 35 IV...1 gpm) H N-heptane in. inch (25.4 mm = 1 in.) ipm liters per minute M Motor Octane Rating MIL MIL - F - 24385 Test Method NFPA National Fire Protection

Fabrication of zeolitic imidazolate framework-8-methacrylate monolith composite capillary columns for fast gas chromatographic separation of small molecules.

PubMed

Yusuf, Kareem; Badjah-Hadj-Ahmed, Ahmed Yacine; Aqel, Ahmad; ALOthman, Zeid Abdullah

2015-08-07

A composite zeolitic imidazolate framework-8 (ZIF-8) with a butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.) was fabricated to enhance the separation efficiency of methacrylate monoliths toward small molecules using conventional low-pressure gas chromatography in comparison with a neat butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.). The addition of 10mgmL(-1) ZIF-8 micro-particles increased the BET surface area of BuMA-co-EDMA by 3.4-fold. A fast separation of five linear alkanes in 36s with high resolution (Rs≥1.3) was performed using temperature program. Isothermal separation of the same sample also showed a high efficiency (3315platesm(-1) for octane) at 0.89min. Moreover, the column was able to separate skeletal isomers, such as iso-octane/octane and 2-methyl octane/nonane. In addition, an iso-butane/iso-butylene gas mixture was separated at ambient temperature. Comparison with an open tubular TR-5MS column (30m long×250μm i.d.) revealed the superiority of the composite column in separating the five-membered linear alkane mixture with 4-5 times increase in efficiency and a total separation time of 0.89min instead of 4.67min. A paint thinner sample was fully separated using the composite column in 2.43min with a good resolution (Rs≥0.89). The perfect combination between the polymeric monolith, with its high permeability, and ZIF-8, with its high surface area and flexible 0.34nm pore openings, led to the fast separation of small molecules with high efficiency and opened a new horizon in GC applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations.

PubMed

Ogunronbi, Kehinde E; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E

2018-04-14

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ∼3 orders of magnitude when plotted as a function of ln S/(T c /T - 1) 1.5 . Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ∼6 orders of magnitude.

Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Ogunronbi, Kehinde E.; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E.

2018-04-01

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ˜3 orders of magnitude when plotted as a function of ln S/(Tc/T - 1)1.5. Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ˜6 orders of magnitude.

Binding of carbonyl flavours to canola, pea and wheat proteins using GC/MS approach.

PubMed

Wang, Kun; Arntfield, Susan D

2014-08-15

Interactions of homologous aldehydes (hexanal, heptanal, and octanal) and ketones (2-hexanone, 2-heptanone, and 2-octanone) to salt and alkaline-extracted canola and pea proteins and commercial wheat gluten were studied using GC/MS. Long-chain aldehyde flavours exhibited higher binding affinity, regardless of protein type and isolation method. Salt-extracted canola protein isolates (CPIs) revealed the highest binding capacity to all aldehydes followed by wheat gluten and salt-extracted pea protein isolates (PPIs), while binding of ketone flavours decreased in the order: PPIs>wheat gluten>CPIs. Two aldolisation products, 2-butyl-2-octenal and 2-pentyl-2-nonenal, were detected from the interactions between CPIs with hexanal and heptanal, respectively. Protein thermal behaviour in the presence of these compounds was analysed by differential scanning calorimeter, where decreased ΔH inferred potential conformational changes due to partial denaturation of PPIs. Compared to ketones, aldehyde flavours possessed much higher "unfolding capacity" (lower ΔH), which accounted for their higher binding affinities. Copyright © 2014 Elsevier Ltd. All rights reserved.

Viscosities of nonelectrolyte liquid mixtures. III. Selected binary and quaternary mixtures

NASA Astrophysics Data System (ADS)

Wakefield, D. L.

1988-05-01

This paper is the final in a series of three viscosity and density studies of pure n-alkanes and selected binary and quaternary mixtures. A standard U-tube viscometer was used for viscosity measurements, and a Pyrex flask-type pycnometer was used for density determinations. Results are given here for pure alkane and selected binary mixtures of n-tetradecane + n-octane, for selected quaternary mixtures of n-hexadecane + n-dodecane + n-decane + n-hexane, and for pure and selected quaternary mixtures of n-hexadecane + n-dodecane + n-nonane + n-heptane at 303.16 and 308.16 K. The principle of congruence was tested, as was the Grunberg and Nissan equation, as they have been shown to be useful as prediction techniques for other n-alkane binary mixtures. Comparisons were made between the two groups of quaternary alkane mixtures and the binary n-tetradecane + n-octane mixtures of the same “pseudo” composition to understand better the dependence of mixture viscosities on the composition parameter.

Experimental verification of the thermodynamic properties for a jet-A fuel

NASA Technical Reports Server (NTRS)

Graciasalcedo, Carmen M.; Brabbs, Theodore A.; Mcbride, Bonnie J.

1988-01-01

Thermodynamic properties for a Jet-A fuel were determined by Shell Development Company in 1970 under a contract for NASA Lewis Research Center. The polynomial fit necessary to include Jet-A fuel (liquid and gaseous phases) in the library of thermodynamic properties of the NASA Lewis Chemical Equilibrium Program is calculated. To verify the thermodynamic data, the temperatures of mixtures of liquid Jet-A injected into a hot nitrogen stream were experimentally measured and compared to those calculated by the program. Iso-octane, a fuel for which the thermodynamic properties are well known, was used as a standard to calibrate the apparatus. The measured temperatures for the iso-octane/nitrogen mixtures reproduced the calculated temperatures except for a small loss due to the non-adiabatic behavior of the apparatus. The measurements for Jet-A were corrected for this heat loss and showed excellent agreement with the calculated temperatures. These experiments show that this process can be adequately described by the thermodynamic properties fitted for the Chemical Equilibrium Program.

Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

NASA Astrophysics Data System (ADS)

Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

2007-10-01

Quantitative mid-IR absorption spectra (2500 3400 cm-1) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 °C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm-1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm-1 resolution. High-resolution (0.1 cm-1), room-temperature measurements of neat hydrocarbons were made at low pressure (˜1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 °C for atmospheric-pressure measurements of hydrocarbon/N2 mixtures (Xhydrocarbon˜0.06 1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement.

Volatile Profile of Raw Lamb Meat Stored at 4 ± 1 °C: The Potential of Specific Aldehyde Ratios as Indicators of Lamb Meat Quality

PubMed Central

2018-01-01

The objectives of the present study were: (a) to evaluate the aroma evolution of raw lamb packaged in multi-layer coating film and stored at 4 ± 1 °C, with respect to storage time and (b) to investigate whether specific aldehyde ratios could serve as markers of lamb meat freshness and degree of oxidation. Volatile compounds were determined using headspace solid phase microextraction coupled to gas chromatography/mass spectrometry. Results showed that the most dominant volatiles were 2,2,4,6,6-pentamethyl-heptane, hexanal, 1-octen-3-ol, 1-hexanol, carbon disulfide and p-cymene. Volatile compound content was increased during storage time. However, statistically significant differences were recorded only for hexanal, heptanal, and nonanal (p < 0.05). Additionally, the evolution of aldehydes during storage recorded a positive Pearson’s correlation (r) (p < 0.05), whereas hexanal to nonanal, heptanal to nonanal, octanal to nonanal ratios, along with the sum of aldehydes to nonanal ratio, were positively correlated (r = 0.83–1.00) with the degree of oxidation (mg malonic dialdehyde per kg of lamb meat). A perfect Pearson’s correlation (r = 1) was obtained for the ratio hexanal to nonanal. Therefore, this ratio is proposed as an indicator of lamb meat freshness and overall quality. PMID:29547528

Acute retinal toxicity associated with a mixture of perfluorooctane and perfluorohexyloctane: failure of another indirect cytotoxicity analysis.

PubMed

Coco, Rosa M; Srivastava, Girish K; Andrés-Iglesias, Cristina; Medina, Jesús; Rull, Fernando; Fernandez-Vega-Gonzalez, Alvaro; Fernandez-Bueno, Ivan; Dueñas, Antonio; Pastor, Jose C

2018-03-29

To report new information related to acute retinal toxicity of Bio Octane Plus, a mixture of 90% perfluorooctane (PFO) and 10% perfluorohexyloctane. This retrospective, descriptive case series reports the occurrence of acute retinal toxicity after vitreoretinal surgery in which Bio Octane Plus (batch number 1605148) was used as an endotamponade. Cytotoxicity biocompatibility tests and chemical analyses by Fourier-transformed infrared (FTIR) spectroscopy and gas chromatography-mass spectrometry (GC-MS) of the presumed toxic product were performed. Four patients presented with acute severe visual loss after uneventful ocular surgery assisted by Bio Octane Plus (batch number 1605148) as endotamponade. Patients experienced extensive retinal vascular occlusion leading to retinal and optic nerve atrophy. The viability of ARPE-19 cells directly exposed to the suspect batch for 30 min was 0%. The agarose overlay method used by the manufacturer according to European Union regulations and International Organization for Standardization (ISO) International Standards failed to detect toxicity. FTIR spectroscopy showed small differences between the non-toxic and toxic batches. GC-MS analysis showed the presence of bromotributyl stannane (whose toxicity was demonstrated in the dose-response curve) only in the toxic batch of Bio Octane Plus. This is the third report of retinotoxicity due to PFO in 4 years. The clinical profiles may be missed as they resemble other postsurgical complications; therefore, more cases worldwide could have gone unreported. Protocols to determine cytotoxicity of intraocular medical devices and approved by the ISO International Standards based on indirect methods have failed and should be revised to ensure safety. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

ILIDS measurements of the evaporation of fuel droplets during the intake and compression strokes in a firing lean burn engine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skippon, S.M.; Tagaki, Y.

1996-09-01

The evaporation of fuel droplets is an important factor in determining the quality of mixture preparation in lean-burn engines, particularly when using open-valve injection timing, which results in large in-cylinder droplet populations. Interferometric Laser Imaging for Droplet Sizing (ILIDS) has been used to measure the in-cylinder droplet size distribution and fuel volume in the droplet phase as a function of crank angle for a typical full boiling range gasoline and three single component fuels with different boiling points: iso-pentane, iso-octane, and xylene, representing the volatilities of the light end, mid-range and heavy ends of a typical gasoline. The measurements weremore » made under firing conditions, with both open and closed valve injection timing, and at two different coolant temperatures, representing simulated cold start and fully warmed up conditions. A specially built single cylinder research engine was used, equipped with a transparent sapphire cylinder to provide all-round sidewall optical access to the cylinder interior. The engine had a four-valve leanburn head, swirl control valve and air-assisted injector. The experimental arrangements for ILIDS in a firing engine, and the optical access engine itself, are discussed in detail. The results showed significant differences in the rates of evaporation of the three fuel components: iso-pentane evaporated fully very early in the induction stroke, iso-octane droplets persisted longer, and xylene droplets persisted to the end of the compression stroke.« less

CFD simulations of Rapid Compression Machines using detailed chemistry: Evaluation of the ‘crevice containment’ concept

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bourgeois, Nicolas; Goldsborough, S. Scott; Jeanmart, Herve

The use of creviced pistons in Rapid Compression Machines (RCMs) has proven to be very effcient in making the temperature homogeneous inside the reaction chamber but has the disadvantage of inducing a mass transfer from the reaction chamber to the crevice, especially during the preliminary heat release of two- stage ignition processes. Aiming to mitigate this mass transfer, the technique of `crevice containment' (CC) has been proposed. It consists of a physical separa- tion between the reaction chamber and the crevice region that is engaged at the end of the compression, physically preventing any mass transfer between both parts ofmore » the geometry. In order to numerically assess this novel design concept across a broader range of conditions than previously investigated, reactive simu- lations using detailed chemical kinetic mechanisms are performed for n-heptane and iso-octane. For compressed temperatures outside of the NTC (negative temperature coeffcient) region, the CC approach is very effective in suppress- ing the influence of the crevice mass transfer and thus increases the validity of the widely-used 0-D model based on the adiabatic core assumption. Still, for most of the temperature cases inside the NTC region, the ignition appears to be precipitately initiated in the residual vortex region formed after the seal engagement, possibly inducing very significant differences with the 0-D model. The benefits of eliminating the post-compression crevice mass transfer appear to be counter-balanced by effects that have not been previously investigated in detail.« less

CFD simulations of Rapid Compression Machines using detailed chemistry: Evaluation of the ‘crevice containment’ concept

DOE PAGES

Bourgeois, Nicolas; Goldsborough, S. Scott; Jeanmart, Herve; ...

2018-01-17

The use of creviced pistons in Rapid Compression Machines (RCMs) has proven to be very effcient in making the temperature homogeneous inside the reaction chamber but has the disadvantage of inducing a mass transfer from the reaction chamber to the crevice, especially during the preliminary heat release of two- stage ignition processes. Aiming to mitigate this mass transfer, the technique of `crevice containment' (CC) has been proposed. It consists of a physical separa- tion between the reaction chamber and the crevice region that is engaged at the end of the compression, physically preventing any mass transfer between both parts ofmore » the geometry. In order to numerically assess this novel design concept across a broader range of conditions than previously investigated, reactive simu- lations using detailed chemical kinetic mechanisms are performed for n-heptane and iso-octane. For compressed temperatures outside of the NTC (negative temperature coeffcient) region, the CC approach is very effective in suppress- ing the influence of the crevice mass transfer and thus increases the validity of the widely-used 0-D model based on the adiabatic core assumption. Still, for most of the temperature cases inside the NTC region, the ignition appears to be precipitately initiated in the residual vortex region formed after the seal engagement, possibly inducing very significant differences with the 0-D model. The benefits of eliminating the post-compression crevice mass transfer appear to be counter-balanced by effects that have not been previously investigated in detail.« less

High-speed imaging of inhomogeneous ignition in a shock tube

NASA Astrophysics Data System (ADS)

Tulgestke, A. M.; Johnson, S. E.; Davidson, D. F.; Hanson, R. K.

2018-05-01

Homogeneous and inhomogeneous ignition of real and surrogate fuels were imaged in two Stanford shock tubes, revealing the influence of small particle fragmentation. n-Heptane, iso-octane, and Jet A were studied, each mixed in an oxidizer containing 21% oxygen and ignited at low temperatures (900-1000 K), low pressures (1-2 atm), with an equivalence ratio of 0.5. Visible images (350-1050 nm) were captured through the shock tube endwall using a high-speed camera. Particles were found to arrive near the endwalls of the shock tubes approximately 5 ms after reflection of the incident shock wave. Reflected shock wave experiments using diaphragm materials of Lexan and steel were investigated. Particles collected from the shock tubes after each experiment were found to match the material of the diaphragm burst during the experiment. Following each experiment, the shock tubes were cleaned by scrubbing with cotton cloths soaked with acetone. Particles were observed to fragment after arrival near the endwall, often leading to inhomogeneous ignition of the fuel. Distinctly more particles were observed during experiments using steel diaphragms. In experiments exhibiting inhomogeneous ignition, flames were observed to grow radially until all the fuel within the cross section of the shock tube had been consumed. The influence of diluent gas (argon or helium) was also investigated. The use of He diluent gas was found to suppress the number of particles capable of causing inhomogeneous flames. The use of He thus allowed time history studies of ignition to extend past the test times that would have been limited by inhomogeneous ignition.

A Detailed Chemical Kinetic Reaction Mechanism for n-Alkane Hydrocarbons from n-Octane to n-Hexadecane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westbrook, C K; Pitz, W J; Herbinet, O

2007-09-25

Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of the n-alkanes, including n-octane (n-C{sub 8}H{sub 18}), n-nonane (n-C{sub 9}H{sub 20}), n-decane (n-C{sub 10}H{sub 22}), n-undecane (n-C{sub 11}H{sub 24}), n-dodecane (n-C{sub 12}H{sub 26}), n-tridecane (n-C{sub 13}H{sub 28}), n-tetradecane (n-C{sub 14}H{sub 30}), n-pentadecane (n-C{sub 15}H{sub 32}), and n-hexadecane (n-C{sub 16}H{sub 34}). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on previous mechanisms for n-heptane, using the same reaction class mechanism construction developed initially for n-heptane. Individual reaction class rules are as simple as possible in order to focus onmore » the parallelism between all of the n-alkane fuels included in the mechanisms, and there is an intent to develop these mechanisms further in the future to incorporate greater levels of accuracy and predictive capability. Several of these areas for improvement are identified and explained in detail. These mechanisms are validated through comparisons between computed and experimental data from as many different sources as possible. In addition, numerical experiments are carried out to examine features of n-alkane combustion in which the detailed mechanisms can be used to compare processes in all of the n-alkane fuels. The mechanisms for all of these n-alkanes are presented as a single detailed mechanism, which can be edited to produce efficient mechanisms for any of the n-alkanes included, and the entire mechanism, with supporting thermochemical and transport data, together with an explanatory glossary explaining notations and structural details, will be available on our web page when the paper is accepted for publication.« less

Study on Desorption Process of n-Heptane and Methyl Cyclohexane Using UiO-66 with Hierarchical Pores.

PubMed

Chen, Sijia; Zhang, Lin; Zhang, Zhao; Qian, Gang; Liu, Zongjian; Cui, Qun; Wang, Haiyan

2018-06-06

UiO-66 (UiO for University of Oslo), is a zirconium-based MOF with reverse shape selectivity, gives an alternative way to produce high purity n-heptane used for the manufacture of high-purity pharmaceuticals. Couple of studies have shown that UiO-66 gives a high selectivity on the separation of n-/iso-alkanes. However, the microporous structure of UiO-66 causes poor mass transport during the desorption process. In this work, hierarchical-pore UiO-66 (H-UiO-66) was synthesized and utilized as an adsorbent of n-heptane (nHEP) and methyl cyclohexane (MCH) for systematically studying the desorption process of n/iso-alkanes. A suite of physical methods, including XRD patterns verified the UiO-66 structures and HRTEM showed the existence of hierarchical pores. N2 adsorption-desorption isotherms further confirmed the size distribution of hierarchical pores in H-UiO-66. Of particular note, the MCH/nHEP selectivity of H-UiO-66 is similar with UiO-66 in the same adsorption conditions, the desorption process of nHEP/MCH from H-UiO-66 is dramatically enhanced, viz, the desorption rates for nHEP/MCH from H-UiO-66 is enhanced by 30%/23% as comparing to UiO-66 at most. Moreover, desorption activation energy (Ed) derived from temperature-programmed desorption (TPD) experiments indicate that the Ed for nHEP/MCH is lower on H-UiO-66, i.e., the Ed of MCH on H-UiO-66 is ~37% lower than that on UiO-66 at most, leading to a milder condition for the desorption process. The introduction of hierarchical structures will be applicable for the optimization of desorption process during separation on porous materials.

Effect of Additions of Aromatics on the Knocking Characteristics of Several 100-Octane Fuels at two Engine Speeds

DTIC Science & Technology

1942-05-01

2000 rpm and 160° E Inlet==Air Temperature ?erformanoe Of.zeferenoe fuels,- When teeted at 2000 rpm aad 150° ~ Inlet-air temperatu ~e, the referenoe...naphtha 70 peroent phosphorlo acid iso-ootane in 15 percent light naphtha and 15 percent benzene 56 percent aviation alkyl- ate and 9 percent hydro

Experimental and modeling studies of a biofuel surrogate compound: laminar burning velocities and jet-stirred reactor measurements of anisole

DOE PAGES

Wagnon, Scott W.; Thion, Sebastien; Nilsson, Elna J. K.; ...

2017-11-23

Lignocellulosic biomass is a promising alternative fuel source which can promote energy security, reduce greenhouse gas emissions, and minimize fuel consumption when paired with advanced combustion strategies. Pyrolysis is used to convert lignocellulosic biomass into a complex mixture of phenolic-rich species that can be used in a transportation fuel. Anisole (or methoxybenzene) can be used as a surrogate to represent these phenolic-rich species. Anisole also has attractive properties as a fuel component for use in advanced spark-ignition engines because of its high blending research octane number of 120. Presented in the current work are new measurements of laminar burning velocities,more » jet-stirred reactor (JSR) speciation of anisole/O 2/N 2 mixtures, and the development and validation of a detailed chemical kinetic mechanism for anisole. Homogeneous, steady state, fixed gas temperature, perfectly stirred reactor CHEMKIN simulations were used to validate the mechanism against the current JSR measurements and published JSR experiments from CNRS-Nancy. Pyrolysis and oxidation simulations were based on the experimental reactant compositions and thermodynamic state conditions including P = 1 bar and T = 675–1275 K. The oxidation compositions studied in this work span fuel-lean (φ = 0.5), stoichiometric, and fuel rich (φ = 2.0) equivalence ratios. Laminar burning velocities were measured on a heat flux stabilized burner at an unburnt T = 358 K, P = 1 bar and simulated using the CHEMKIN premixed laminar flame speed module. Ignition delay times of anisole were then simulated at conditions relevant to advanced combustion strategies. Current laminar burning velocity measurements and predicted ignition delay times were compared to gasoline components (e.g., n-heptane, iso-octane, and toluene) and gasoline surrogates to highlight differences and similarities in behavior. Reaction path analysis and sensitivity analysis were used to explain the pathways relevant to the current studies. Under pyrolysis and oxidative conditions, unimolecular decomposition of anisole to phenoxy radicals and methyl radicals was found to be important due to the relatively low bond strength between the oxygen and methyl group, ~65 kcal/mol. Finally, reactions of these abundant phenoxy radicals with O 2 were found to be critical to accurately reproduce anisole's reactivity.« less

Experimental and modeling studies of a biofuel surrogate compound: laminar burning velocities and jet-stirred reactor measurements of anisole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagnon, Scott W.; Thion, Sebastien; Nilsson, Elna J. K.

Lignocellulosic biomass is a promising alternative fuel source which can promote energy security, reduce greenhouse gas emissions, and minimize fuel consumption when paired with advanced combustion strategies. Pyrolysis is used to convert lignocellulosic biomass into a complex mixture of phenolic-rich species that can be used in a transportation fuel. Anisole (or methoxybenzene) can be used as a surrogate to represent these phenolic-rich species. Anisole also has attractive properties as a fuel component for use in advanced spark-ignition engines because of its high blending research octane number of 120. Presented in the current work are new measurements of laminar burning velocities,more » jet-stirred reactor (JSR) speciation of anisole/O 2/N 2 mixtures, and the development and validation of a detailed chemical kinetic mechanism for anisole. Homogeneous, steady state, fixed gas temperature, perfectly stirred reactor CHEMKIN simulations were used to validate the mechanism against the current JSR measurements and published JSR experiments from CNRS-Nancy. Pyrolysis and oxidation simulations were based on the experimental reactant compositions and thermodynamic state conditions including P = 1 bar and T = 675–1275 K. The oxidation compositions studied in this work span fuel-lean (φ = 0.5), stoichiometric, and fuel rich (φ = 2.0) equivalence ratios. Laminar burning velocities were measured on a heat flux stabilized burner at an unburnt T = 358 K, P = 1 bar and simulated using the CHEMKIN premixed laminar flame speed module. Ignition delay times of anisole were then simulated at conditions relevant to advanced combustion strategies. Current laminar burning velocity measurements and predicted ignition delay times were compared to gasoline components (e.g., n-heptane, iso-octane, and toluene) and gasoline surrogates to highlight differences and similarities in behavior. Reaction path analysis and sensitivity analysis were used to explain the pathways relevant to the current studies. Under pyrolysis and oxidative conditions, unimolecular decomposition of anisole to phenoxy radicals and methyl radicals was found to be important due to the relatively low bond strength between the oxygen and methyl group, ~65 kcal/mol. Finally, reactions of these abundant phenoxy radicals with O 2 were found to be critical to accurately reproduce anisole's reactivity.« less

Oxides of Nitrogen Emissions from the Combustion of Monodisperse Liquid Fuel Sprays. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sarv, H.

1985-01-01

A study of NO sub x formation in a one dimensional monodisperse spray combustion system, which allowed independent droplet size variation, was conducted. Temperature, NO and NO sub x concentrations were measured in the transition region, encompassing a 26 to 74 micron droplet size range. Emission measurements of hydrocarbons, carbon monoxide, carbon dioxide and oxygen were also made. The equivalence ratio was varied between 0.8 and 1.2 for the fuels used, including methanol, isopropanaol, n-heptane and n-octane. Pyridine and pyrrole were added to n-heptane as nitrogen-containing additives in order to simulate synthetic fuels. Results obtained from the postflame regions using the pure fuels indicate an optimum droplet size in the range of 43 to 58 microns for minimizing NO sub x production. For the fuels examined, the maximum NO sub x reductions relative to the small droplet size limit were about 10 to 20% for lean and 20 to 30% for stoichiometric and rich mixtures. This behavior is attributed to droplet interactions and the transition from diffusive to premixed type of burning. Preflame vaporization controls the gas phase stoichiometry which has a significant effect on the volume of the hot gases surrounding a fuel droplet, where NO sub x is formed.

Researches on Preliminary Chemical Reactions in Spark-Ignition Engines

DTIC Science & Technology

1943-06-01

correct ratio for air, mth’ was determined analyt- ically from the proportion of alcohols , olefines, 16 NACA Technical Memorandum No, 1049 ’\\ aromatics...umption is therefore permissible. The mix- ture ratio for a fuel will then depend on its aromatic and alcohol content as fdund by chemical analysis. The...composition, would behave differently. To obtain informa- tion on this point, tests wer~ made with pure iso-octane, ~thyl alcohol , and benzol, all

Components of Particle Emissions from Light-Duty Spark-Ignition Vehicles with Varying Aromatic Content and Octane Rating in Gasoline.

PubMed

Short, Daniel Z; Vu, Diep; Durbin, Thomas D; Karavalakis, Georgios; Asa-Awuku, Akua

2015-09-01

Typical gasoline consists of varying concentrations of aromatic hydrocarbons and octane ratings. However, their impacts on particulate matter (PM) such as black carbon (BC) and water-soluble and insoluble particle compositions are not well-defined. This study tests seven 2012 model year vehicles, which include one port fuel injection (PFI) configured hybrid vehicle, one PFI vehicle, and six gasoline direct injection (GDI) vehicles. Each vehicle was driven on the Unified transient testing cycle (UC) using four different fuels. Three fuels had a constant octane rating of 87 with varied aromatic concentrations at 15%, 25%, and 35%. A fourth fuel with higher octane rating, 91, contained 35% aromatics. BC, PM mass, surface tension, and water-soluble organic mass (WSOM) fractions were measured. The water-insoluble mass (WIM) fraction of the vehicle emissions was estimated. Increasing fuel aromatic content increases BC emission factors (EFs) of transient cycles. BC concentrations were higher for the GDI vehicles than the PFI and hybrid vehicles, suggesting a potential climate impact for increased GDI vehicle production. Vehicle steady-state testing showed that the hygroscopicity of PM emissions at high speeds (70 mph; κ > 1) are much larger than emissions at low speeds (30 mph; κ < 0.1). Iso-paraffin content in the fuels was correlated to the decrease in WSOM emissions. Both aromatic content and vehicle speed increase the amount of hygroscopic material found in particle emissions.

Investigation of Iso-octane Ignition and Validation of a Multizone Modeling Method in an Ignition Quality Tester

DOE PAGES

Osecky, Eric M.; Bogin, Gregory E.; Villano, Stephanie M.; ...

2016-08-18

An ignition quality tester was used to characterize the autoignition delay times of iso-octane. The experimental data were characterized between temperatures of 653 and 996 K, pressures of 1.0 and 1.5 MPa, and global equivalence ratios of 0.7 and 1.05. A clear negative temperature coefficient behavior was seen at both pressures in the experimental data. These data were used to characterize the effectiveness of three modeling methods: a single-zone homogeneous batch reactor, a multizone engine model, and a three-dimensional computational fluid dynamics (CFD) model. A detailed 874 species iso-octane ignition mechanism (Mehl, M.; Curran, H. J.; Pitz, W. J.; Westbrook,more » C. K.Chemical kinetic modeling of component mixtures relevant to gasoline. Proceedings of the European Combustion Meeting; Vienna, Austria, April 14-17, 2009) was reduced to 89 species for use in these models, and the predictions of the reduced mechanism were consistent with ignition delay times predicted by the detailed chemical mechanism across a broad range of temperatures, pressures, and equivalence ratios. The CFD model was also run without chemistry to characterize the extent of mixing of fuel and air in the chamber. The calculations predicted that the main part of the combustion chamber was fairly well-mixed at longer times (> ~30 ms), suggesting that the simpler models might be applicable in this quasi-homogeneous region. The multizone predictions, where the combustion chamber was divided into 20 zones of temperature and equivalence ratio, were quite close to the coupled CFD-kinetics results, but the calculation time was ~11 times faster than the coupled CFD-kinetics model. Although the coupled CFD-kinetics model captured the observed negative temperature coefficient behavior and pressure dependence, discrepancies remain between the predictions and the observed ignition time delays, suggesting improvements are still needed in the kinetic mechanism and/or the CFD model. This approach suggests a combined modeling approach, wherein the CFD calculations (without chemistry) can be used to examine the sensitivity of various model inputs to in-cylinder temperature and equivalence ratios. In conclusion, these values can be used as inputs to the multizone model to examine the impact on ignition delay. Additionally, the speed of the multizone model also makes it feasible to quickly test more detailed kinetic mechanisms for comparison to experimental data and sensitivity analysis.« less

Analysis of Thermal and Chemical Effets on Negative Valve Overlap Period Energy Recovery for Low-Temperature Gasoline Combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ekoto, Dr Isaac; Peterson, Dr. Brian; Szybist, James P

2015-01-01

A central challenge for efficient auto-ignition controlled low-temperature gasoline combustion (LTGC) engines has been achieving the combustion phasing needed to reach stable performance over a wide operating regime. The negative valve overlap (NVO) strategy has been explored as a way to improve combustion stability through a combination of charge heating and altered reactivity via a recompression stroke with a pilot fuel injection. The study objective was to analyze the thermal and chemical effects on NVO-period energy recovery. The analysis leveraged experimental gas sampling results obtained from a single-cylinder LTGC engine along with cylinder pressure measurements and custom data reduction methodsmore » used to estimate period thermodynamic properties. The engine was fueled by either iso-octane or ethanol, and operated under sweeps of NVO-period oxygen concentration, injection timing, and fueling rate. Gas sampling at the end of the NVO period was performed via a custom dump-valve apparatus, with detailed sample speciation by in-house gas chromatography. The balance of NVO-period input and output energy flows was calculated in terms of fuel energy, work, heat loss, and change in sensible energy. Experiment results were complemented by detailed chemistry single-zone reactor simulations performed at relevant mixing and thermodynamic conditions, with results used to evaluate ignition behavior and expected energy recovery yields. For the intermediate bulk-gas temperatures present during the NVO period (900-1100 K), weak negative temperature coefficient behavior with iso-octane fueling significantly lengthened ignition delays relative to similar ethanol fueled conditions. Faster ethanol ignition chemistry led to lower recovered fuel intermediate yields relative to similar iso-octane fueled conditions due to more complete fuel oxidation. From the energy analysis it was found that increased NVO-period global equivalence ratio, either from lower NVOperiod oxygen concentrations or higher fueling rates, in general led to a greater fraction of net recovered fuel energy and work as heat losses were minimized. These observations were supported by complementary single-zone reactor model results, which further indicated that kinetic time-scales favor chemical energy-consuming exothermic oxidation over slower endothermic reformation. Nonetheless, fuel energy recovery close to the thermodynamic equilibrium solution was achieved for baseline conditions that featured 4% NVO-period oxygen concentration.« less

Investigation of Iso-octane Ignition and Validation of a Multizone Modeling Method in an Ignition Quality Tester

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osecky, Eric M.; Bogin, Gregory E.; Villano, Stephanie M.

An ignition quality tester was used to characterize the autoignition delay times of iso-octane. The experimental data were characterized between temperatures of 653 and 996 K, pressures of 1.0 and 1.5 MPa, and global equivalence ratios of 0.7 and 1.05. A clear negative temperature coefficient behavior was seen at both pressures in the experimental data. These data were used to characterize the effectiveness of three modeling methods: a single-zone homogeneous batch reactor, a multizone engine model, and a three-dimensional computational fluid dynamics (CFD) model. A detailed 874 species iso-octane ignition mechanism (Mehl, M.; Curran, H. J.; Pitz, W. J.; Westbrook,more » C. K.Chemical kinetic modeling of component mixtures relevant to gasoline. Proceedings of the European Combustion Meeting; Vienna, Austria, April 14-17, 2009) was reduced to 89 species for use in these models, and the predictions of the reduced mechanism were consistent with ignition delay times predicted by the detailed chemical mechanism across a broad range of temperatures, pressures, and equivalence ratios. The CFD model was also run without chemistry to characterize the extent of mixing of fuel and air in the chamber. The calculations predicted that the main part of the combustion chamber was fairly well-mixed at longer times (> ~30 ms), suggesting that the simpler models might be applicable in this quasi-homogeneous region. The multizone predictions, where the combustion chamber was divided into 20 zones of temperature and equivalence ratio, were quite close to the coupled CFD-kinetics results, but the calculation time was ~11 times faster than the coupled CFD-kinetics model. Although the coupled CFD-kinetics model captured the observed negative temperature coefficient behavior and pressure dependence, discrepancies remain between the predictions and the observed ignition time delays, suggesting improvements are still needed in the kinetic mechanism and/or the CFD model. This approach suggests a combined modeling approach, wherein the CFD calculations (without chemistry) can be used to examine the sensitivity of various model inputs to in-cylinder temperature and equivalence ratios. In conclusion, these values can be used as inputs to the multizone model to examine the impact on ignition delay. Additionally, the speed of the multizone model also makes it feasible to quickly test more detailed kinetic mechanisms for comparison to experimental data and sensitivity analysis.« less

A Study of Aircraft Fire Hazards Related to Natural Electrical Phenomena

NASA Technical Reports Server (NTRS)

Kester, Frank L.; Gerstein, Melvin; Plumer, J. A.

1960-01-01

The problems of natural electrical phenomena as a fire hazard to aircraft are evaluated. Assessment of the hazard is made over the range of low level electrical discharges, such as static sparks, to high level discharges, such as lightning strikes to aircraft. In addition, some fundamental work is presented on the problem of flame propagation in aircraft fuel vent systems. This study consists of a laboratory investigation in five parts: (1) a study of the ignition energies and flame propagation rates of kerosene-air and JP-6-air foams, (2) a study of the rate of flame propagation of n-heptane, n-octane, n-nonane, and n-decane in aircraft vent ducts, (3) a study of the damage to aluminum, titanium, and stainless steel aircraft skin materials by lightning strikes, (4) a study of fuel ignition by lightning strikes to aircraft skins, and (5) a study of lightning induced flame propagation in an aircraft vent system.

Catalytic Steam and Partial Oxidation Reforming of Liquid Fuels for Application in Improving the Efficiency of Internal Combustion Engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brookshear, Daniel William; Pihl, Josh A.; Szybist, James P.

Here, this study investigated the potential for catalytically reforming liquid fuels in a simulated exhaust gas recirculation (EGR) mixture loop for the purpose of generating reformate that could be used to increase stoichiometric combustion engine efficiency. The experiments were performed on a simulated exhaust flow reactor using a Rh/Al 2O 3 reformer catalyst, and the fuels evaluated included iso-octane, ethanol, and gasoline. Both steam reforming and partial oxidation reforming were examined as routes for the production of reformate. Steam reforming was determined to be an ineffective option for reforming in an EGR loop, because of the high exhaust temperatures (inmore » excess of 700 °C) required to produce adequate concentrations of reformate, regardless of fuel. However, partial oxidation reforming is capable of producing hydrogen concentrations as high as 10%–16%, depending on fuel and operating conditions in the simulated EGR gas mixture. Meanwhile, measurements of total fuel enthalpy retention were shown to have favorable energetics under a range of conditions, although a tradeoff between fuel enthalpy retention and reformate production was observed. Of the three fuels evaluated, iso-octane exhibited the best overall performance, followed by ethanol and then gasoline. Overall, it was found that partial oxidation reforming of liquid fuels in a simulated EGR mixture over the Rh/Al 2O 3 catalyst demonstrated sufficiently high reformate yields and favorable energetics to warrant further evaluation in the EGR system of a stoichiometric combustion engine.« less

Catalytic Steam and Partial Oxidation Reforming of Liquid Fuels for Application in Improving the Efficiency of Internal Combustion Engines

DOE PAGES

Brookshear, Daniel William; Pihl, Josh A.; Szybist, James P.

2018-02-07

Here, this study investigated the potential for catalytically reforming liquid fuels in a simulated exhaust gas recirculation (EGR) mixture loop for the purpose of generating reformate that could be used to increase stoichiometric combustion engine efficiency. The experiments were performed on a simulated exhaust flow reactor using a Rh/Al 2O 3 reformer catalyst, and the fuels evaluated included iso-octane, ethanol, and gasoline. Both steam reforming and partial oxidation reforming were examined as routes for the production of reformate. Steam reforming was determined to be an ineffective option for reforming in an EGR loop, because of the high exhaust temperatures (inmore » excess of 700 °C) required to produce adequate concentrations of reformate, regardless of fuel. However, partial oxidation reforming is capable of producing hydrogen concentrations as high as 10%–16%, depending on fuel and operating conditions in the simulated EGR gas mixture. Meanwhile, measurements of total fuel enthalpy retention were shown to have favorable energetics under a range of conditions, although a tradeoff between fuel enthalpy retention and reformate production was observed. Of the three fuels evaluated, iso-octane exhibited the best overall performance, followed by ethanol and then gasoline. Overall, it was found that partial oxidation reforming of liquid fuels in a simulated EGR mixture over the Rh/Al 2O 3 catalyst demonstrated sufficiently high reformate yields and favorable energetics to warrant further evaluation in the EGR system of a stoichiometric combustion engine.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mehl, M; Kukkadapu, G; Kumar, K

The use of gasoline in homogeneous charge compression ignition engines (HCCI) and in duel fuel diesel - gasoline engines, has increased the need to understand its compression ignition processes under engine-like conditions. These processes need to be studied under well-controlled conditions in order to quantify low temperature heat release and to provide fundamental validation data for chemical kinetic models. With this in mind, an experimental campaign has been undertaken in a rapid compression machine (RCM) to measure the ignition of gasoline mixtures over a wide range of compression temperatures and for different compression pressures. By measuring the pressure history duringmore » ignition, information on the first stage ignition (when observed) and second stage ignition are captured along with information on the phasing of the heat release. Heat release processes during ignition are important because gasoline is known to exhibit low temperature heat release, intermediate temperature heat release and high temperature heat release. In an HCCI engine, the occurrence of low-temperature and intermediate-temperature heat release can be exploited to obtain higher load operation and has become a topic of much interest for engine researchers. Consequently, it is important to understand these processes under well-controlled conditions. A four-component gasoline surrogate model (including n-heptane, iso-octane, toluene, and 2-pentene) has been developed to simulate real gasolines. An appropriate surrogate mixture of the four components has been developed to simulate the specific gasoline used in the RCM experiments. This chemical kinetic surrogate model was then used to simulate the RCM experimental results for real gasoline. The experimental and modeling results covered ultra-lean to stoichiometric mixtures, compressed temperatures of 640-950 K, and compression pressures of 20 and 40 bar. The agreement between the experiments and model is encouraging in terms of first-stage (when observed) and second-stage ignition delay times and of heat release rate. The experimental and computational results are used to gain insight into low and intermediate temperature processes during gasoline ignition.« less

The contribution of lubricant to the formation of particulate matter with reactivity controlled compression ignition in light-duty diesel engines

DOE PAGES

Storey, John Morse; Curran, Scott; Dempsey, Adam B.; ...

2014-12-25

Reactivity controlled compression ignition (RCCI) has been shown in single- and multi-cylinder engine research to achieve high thermal efficiencies with ultra-low NO X and soot emissions. The nature of the particulate matter (PM) produced by RCCI operation has been shown in recent research to be different than that of conventional diesel combustion and even diesel low-temperature combustion. Previous research has shown that the PM from RCCI operation contains a large amount of organic material that is volatile and semi-volatile. However, it is unclear if the organic compounds are stemming from fuel or lubricant oil. The PM emissions from dual-fuel RCCImore » were investigated in this study using two engine platforms, with an emphasis on the potential contribution of lubricant. Both engine platforms used the same base General Motors (GM) 1.9-L diesel engine geometry. The first study was conducted on a single-cylinder research engine with primary reference fuels (PRFs), n-heptane, and iso-octane. The second study was conducted on a four-cylinder GM 1.9-L ZDTH engine which was modified with a port fuel injection (PFI) system while maintaining the stock direct injection fuel system. Multi-cylinder RCCI experiments were run with PFI gasoline and direct injection of 2-ethylhexyl nitrate (EHN) mixed with gasoline at 5 % EHN by volume. In addition, comparison cases of conventional diesel combustion (CDC) were performed. Particulate size distributions were measured, and PM filter samples were collected for analysis of lube oil components. Triplicate PM filter samples (i.e., three individual filter samples) for both gas chromatography-mass spectroscopy (GC-MS; organic) analysis and X-ray fluorescence (XRF; metals) were obtained at each operating point and queued for analysis of both organic species and lubricant metals. Here, the results give a clear indication that lubricants do not contribute significantly to the formation of RCCI PM.« less

Determination of thermodynamic properties of isotactic poly(1-butene) at infinite dilution using density and inverse gas chromatography.

PubMed

Kozłowska, Marta Karolina; Domańska, Urszula; Lempert, Małgorzata; Rogalski, Marek

2005-03-18

The partial molar volumes, V1(M), and the molar volume of isotactic crystalline low-molecular-weight poly(1-butene), iPBu-1, V1, have been calculated from the measured density of {iPBu-1 + solvent (n-hexane, n-heptane, n-nonane, n-decane, p-xylene, cyclohexane and chloroform)} systems. Some of the thermodynamic quantities were also obtained for the iPBu-1 with eight hydrocarbons (n-octane, n-decane, n-undecane, n-dodecane, n-tridecane, o-xylene, m-xylene, p-xylene) by the method of inverse gas chromatography at various temperatures. The weight fraction activity coefficients of the solvent at infinite dilution, omega2(infinity) and the Flory-Huggins thermodynamic interaction parameters, chi21(infinity), between polymer and solvents were determined. The partial molar free energy, deltaG2(infinity), the partial molar heat of mixing, deltaH2(infinity), at infinite dilution and the polymer solubility parameter, delta1, were calculated. Additionally, the (solid + liquid) binary mixtures equilibria, SLE, of iPBu-1 with three hydrocarbons (n-octane, n-decane and m-xylene) were studied by a dynamic method. By performing these experiments over a large concentration range, the T-x phase diagrams of the polymer-solvent systems were constructed. The excess Gibbs energy models were used to describe the nonideal behaviour of the liquid phase. The omega2(infinity) were determined from the solubility measurements and were predicted by using the UNIFAC FV model.

Producing a trimethylpentanoic acid using hybrid polyketide synthases

DOEpatents

Katz, Leonard; Fortman, Jeffrey L; Keasling, Jay D

2014-10-07

The present invention provides for a polyketide synthase (PKS) capable of synthesizing trimethylpentanoic acid. The present invention also provides for a host cell comprising the PKS and when cultured produces the trimethylpentanoic acid. The present invention also provides for a method of producing the trimethylpentanoic acid, comprising: providing a host cell of the present invention, and culturing said host cell in a suitable culture medium such that the trimethylpentanoic acid is produced, optionally isolating the trimethylpentanoic acid, and optionally, reducing the isolated trimethylpentanoic acid into a trimethylpentanol or an iso-octane.

Droplet size effects on NO/x/ formation in a one-dimensional monodisperse spray combustion system

NASA Technical Reports Server (NTRS)

Sarv, H.; Nizami, A. A.; Cernansky, N. P.

1982-01-01

A one-dimensional monodisperse aerosol spray combustion facility is described and experimental results of post flame NO/NO(x) emissions are presented. Four different hydrocarbon fuels were studied: isopropanol, methanol, n-heptane, and n-octane. The results indicate an optimum droplet size in the range of 48-58 microns for minimizing NO/NO(x) production for all of the test fuels. This NO(x) behavior is associated with droplet interactions and the transition from diffusive type of spray burning to that of a prevaporized and premixed case. Decreasing the droplet size results in a trend of increasing droplet interactions, which suppresses temperatures and reduces NO(x). This trend continues until prevaporization effects begin to dominate and the system tends towards the premixed limit. The occurrence of the minimum NO(x) point at different droplet diameters for the different fuels appears to be governed by the extent of prevaporization of the fuel in the spray, and is consistent with theoretical calculations based on each fuel's physical properties.

1996 PAMS hydrocarbon QA studies in EPA Region II: Part II. Trends and insights

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teitz, A.; Kantz, M.

1997-12-31

Comparison of ambient air samples between EPA Region II and the PAMS monitoring organizations within the Region, and comparisons among EPA Regions I, II, and III, revealed the following analytical trends: (1) Agreement between laboratories was typically between 10-20% for many of the PAMS analytes found at higher concentrations, i.e., butane, isopentane, benzene, toluene, and m/p-xylene; (2) Nafion dryer systems tended to underestimate the amount of acetylene by 35-50%; (3) Isobutylene co-elution with 1-butene proved difficult to resolve unless a 100 meter DB-1 or a regular length PLOT GC column was used; (4) Organizations that monitor for polar compounds foundmore » that co-elution of ethanol/acetone can interfere with the analysis of 1-pentene; (5) Analytical systems capable of polar analyses can have co-elution and/or misidentification of these aldehydes, typically in the styrene/heptanal/o-xylene regions of the chromatogram; and (6) Tetrachloroethylene was found to interfere with octane quantitation in some analyses.« less

Flavor and Acceptance of Roasted California Almonds During Accelerated Storage.

PubMed

Franklin, Lillian M; King, Ellena S; Chapman, Dawn; Byrnes, Nadia; Huang, Guangwei; Mitchell, Alyson E

2018-02-07

Monitoring oxidative flavor changes in almonds is possible only if the chemical and sensory profile during roasting and storage is first established. Herein, almonds roasted at two different temperatures (115 and 152 °C) were stored at 39 °C for 0 to 12 months and were analyzed by headspace solid-phase microextraction gas chromatography-mass spectrometry, descriptive analysis, and consumer hedonic analysis. Volatile profiles, descriptive sensory profiles, and consumer hedonic scores were analyzed for predictive relationships. Descriptive attributes involving Roasted and Nutty as well as consumer liking were highest in fresh almonds, while flavors typically associated with oxidative rancidity such as Cardboard, Painty/Solvent, Soapy, and Total Oxidized increased during storage. Compounds most important for predicting rancidity-related attributes were lipid oxidation products, including pentanal, hexanal, heptanal, and octanal. Consumer liking was best predicted by similar compounds to those predicting Clean Nutty flavor, including Maillard reaction products such as 2- and 3-methylbutanal, 2-methylpyrazine, and 2,5-dimethylpyrazine.

Short-chain alkanes synergise responses of moth pests to their sex pheromones.

PubMed

Gurba, Alexandre; Guerin, Patrick M

2016-05-01

The use of sex pheromones for mating disruption of moth pests of crops is increasing worldwide. Efforts are under way to augment the efficiency and reliability of this control method by adding molecules derived from host plants to the sex attractants in dispensers. We show how attraction of the European grapevine moth, Lobesia botrana Den. & Schiff., and the codling moth, Cydia pomonella L., males to underdosed levels of their sex pheromones is increased by adding heptane or octane over a range of release rates. Pheromone-alkane mixtures enhance male recruitment by up to 30%, reaching levels induced by calling females, and shorten the flight time to the sex attractant by a factor of 2. The findings show the promise of using short-chain alkanes as pheromone synergists for mating disruption of insect pests of food crops. Alkane-pheromone combinations are expected to increase the competitiveness of dispensers with females, and to reduce the amount of pheromone needed for the control of these pests. © 2015 Society of Chemical Industry.

Some aspects of TLC in homogenous magnetic fields.

PubMed

Malinowska, Irena; Studziński, Marek; Malinowski, Henryk

2011-08-01

This article consists of two parts. First part is a short review about the role of magnetic phenomena in natural environment, human surroundings, and his activities such as science, engineering, and medicine. The second part of the article presents a set of experiments, their results, and data obtained in a static homogenous magnetic field, generated by a pair of permanent magnets and outside it. Adsorption chromatographic systems were investigated: as chromatographed substances - polyaromatic hydrocarbon (PAH), as stationary phase - silica gel 60, as monocomponent mobile phases - n-hexane, n-heptane, n-octane, and benzene were used and binary mobile phases n-hydrocarbons - benzene. Magnetic field influences retention and efficiency of investigated chromatographic systems. Experimental data analysis (RF, N) allows us to propose some explanations of the differences between experiment results performed in induced magnetic field and outside it, and in consequence on the changes in the interfacial phenomena induced by field presence. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Determination of solubility parameters of high density polyethylene by inverse gas chromatography].

PubMed

Wang, Qiang; Chen, Yali; Liu, Ruiting; Shi, Yuge; Zhang, Zhengfang; Tang, Jun

2011-11-01

Inverse gas chromatographic (IGC) technology was used to determine the solubility parameters of high density polyethylene (HDPE) at the absolute temperatures from 303.15 to 343.15 K. Six solvents were applied as test probes including hexane (n-C6), heptane (n-C7), octane (n-C8), nonane (n-C9), chloroform (CHCl3) and ethyl acetate (EtAc). Some thermodynamic parameters were obtained by IGC data analysis such as the specific retention volumes of the solvents (V(0)(g)), the molar enthalpy of sorption (delta H(S)(1)), the partial molar enthalpy of mixing at infinite dilution (delta H(1)(infinity)), the molar enthalpy of vaporization (delta H(v)), the activity coefficients at infinite dilution (omega (1)(infinity)), and Flow-Huggins interaction parameters (X(1,2)(infinity)) between HDPE and probe solvents. The results showed that the above six probes are poor solvents for HDPE. The solubility parameter of HDPE at room temperature (298.15 K) was also derived as 19.00 (J/cm3)(0.5).

Simulation of circularly polarized luminescence spectra using coupled cluster theory

NASA Astrophysics Data System (ADS)

McAlexander, Harley R.; Crawford, T. Daniel

2015-04-01

We report the first computations of circularly polarized luminescence (CPL) rotatory strengths at the equation-of-motion coupled cluster singles and doubles (EOM-CCSD) level of theory. Using a test set of eight chiral ketones, we compare both dipole and rotatory strengths for absorption (electronic circular dichroism) and emission to the results from time-dependent density-functional theory (TD-DFT) and available experimental data for both valence and Rydberg transitions. For two of the compounds, we obtained optimized geometries of the lowest several excited states using both EOM-CCSD and TD-DFT and determined that structures and EOM-CCSD transition properties obtained with each structure were sufficiently similar that TD-DFT optimizations were acceptable for the remaining test cases. Agreement between EOM-CCSD and the Becke three-parameter exchange function and Lee-Yang-Parr correlation functional (B3LYP) corrected using the Coulomb attenuating method (CAM-B3LYP) is typically good for most of the transitions, though agreement with the uncorrected B3LYP functional is significantly worse for all reported properties. The choice of length vs. velocity representation of the electric dipole operator has little impact on the EOM-CCSD transition strengths for nearly all of the states we examined. For a pair of closely related β, γ-enones, (1R)-7-methylenebicyclo[2.2.1]heptan-2-one and (1S)-2-methylenebicyclo[2.2.1]heptan-7-one, we find that EOM-CCSD and CAM-B3LYP agree with the energetic ordering of the two possible excited-state conformations, resulting in good agreement with experimental rotatory strengths in both absorption and emission, whereas B3LYP yields a qualitatively incorrect result for the CPL signal of (1S)-2-methylenebicyclo[2.2.1]heptan-7-one. Finally, we predict that one of the compounds considered here, trans-bicyclo[3.3.0]octane-3,7-dione, is unique in that it exhibits an achiral ground state and a chiral first excited state, leading to a strong CPL signal but a weak circular dichroism signal.

Simulation of circularly polarized luminescence spectra using coupled cluster theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

McAlexander, Harley R.; Crawford, T. Daniel, E-mail: crawdad@vt.edu

2015-04-21

We report the first computations of circularly polarized luminescence (CPL) rotatory strengths at the equation-of-motion coupled cluster singles and doubles (EOM-CCSD) level of theory. Using a test set of eight chiral ketones, we compare both dipole and rotatory strengths for absorption (electronic circular dichroism) and emission to the results from time-dependent density-functional theory (TD-DFT) and available experimental data for both valence and Rydberg transitions. For two of the compounds, we obtained optimized geometries of the lowest several excited states using both EOM-CCSD and TD-DFT and determined that structures and EOM-CCSD transition properties obtained with each structure were sufficiently similar thatmore » TD-DFT optimizations were acceptable for the remaining test cases. Agreement between EOM-CCSD and the Becke three-parameter exchange function and Lee-Yang-Parr correlation functional (B3LYP) corrected using the Coulomb attenuating method (CAM-B3LYP) is typically good for most of the transitions, though agreement with the uncorrected B3LYP functional is significantly worse for all reported properties. The choice of length vs. velocity representation of the electric dipole operator has little impact on the EOM-CCSD transition strengths for nearly all of the states we examined. For a pair of closely related β, γ-enones, (1R)-7-methylenebicyclo[2.2.1]heptan-2-one and (1S)-2-methylenebicyclo[2.2.1]heptan-7-one, we find that EOM-CCSD and CAM-B3LYP agree with the energetic ordering of the two possible excited-state conformations, resulting in good agreement with experimental rotatory strengths in both absorption and emission, whereas B3LYP yields a qualitatively incorrect result for the CPL signal of (1S)-2-methylenebicyclo[2.2.1]heptan-7-one. Finally, we predict that one of the compounds considered here, trans-bicyclo[3.3.0]octane-3,7-dione, is unique in that it exhibits an achiral ground state and a chiral first excited state, leading to a strong CPL signal but a weak circular dichroism signal.« less

Electrode effects in dielectric spectroscopy of colloidal suspensions

NASA Astrophysics Data System (ADS)

Cirkel, P. A.; van der Ploeg, J. P. M.; Koper, G. J. M.

1997-02-01

We present a simple model to account for electrode polarization in colloidal suspensions. Apart from correctly predicting the ω {-3}/{2} dependence for the dielectric permittivity at low frequencies ω, the model provides an explicit dependence of the effect on electrode spacing. The predictions are tested for the sodium bis(2-ethylhexyl) sulfosuccinate (AOT) water-in-oil microemulsion with iso-octane as continuous phase. In particular, the dependence of electrode polarization effects on electrode spacing has been measured and is found to be in accordance with the model prediction. Methods to reduce or account for electrode polarization are briefly discussed.

Synthesis of chiral 2-alkanols from n-alkanes by a P. putida whole-cell biocatalyst.

PubMed

Tieves, Florian; Erenburg, Isabelle N; Mahmoud, Osama; Urlacher, Vlada B

2016-09-01

The cytochrome P450 monooxygenase CYP154A8 from Nocardia farcinica was previously found to catalyze hydroxylation of linear alkanes (C7 -C9 ) with a high regio- and stereoselectivity. The objective of this study was to integrate CYP154A8 along with suitable redox partners into a whole-cell system for the production of chiral 2-alkanols starting from alkanes. Both recombinant Escherichia coli and Pseudomonas putida whole-cell biocatalysts tested for this purpose showed the ability to produce chiral alkanols, but a solvent tolerant P. putida strain demonstrated several advantages in the applied biphasic reaction system. The optimized P. putida whole-cell system produced ∼16 mM (S)-2-octanol with 87% ee from octane, which is more than sevenfold higher than the previously described system with isolated enzymes. The achieved enantiopurity of the product could further be increased up to 99% ee by adding an alcohol dehydrogenase (ADH) to the alkane-oxidizing P. putida whole-cell systems. By using this setup for the individual conversions of heptane, octane or nonane, 2.6 mM (S)-2-heptanol with 91% ee, 5.4 mM (S)-2-octanol with 97% ee, or 5.5 mM (S)-2-nonanol with 97% ee were produced, respectively. The achieved concentrations of chiral 2-alkanols are the highest reported for a P450-based whole-cell system so far. Biotechnol. Bioeng. 2016;113: 1845-1852. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Templated synthesis of nanoporous titania/nanocarbon composites

NASA Astrophysics Data System (ADS)

Mistry, Jayur

Hexagonally patterned (honeycomb structured) nano-porous titania finds distinct applications in the field of material science, electronics, and catalysis. The preparation of titania/nanocarbon composites was carried out using titanium iso-propoxide precursor and a viscous surfactant templated system arranged into nanoscopic channels of water and iso-octane. Nanocarbon was introduced into the titania pores, as it was dispersed into the water (used to increase the W0), while making templets. Prepared titania/nanocarbon composites were analyzed under scanning electron microscopy (SEM), transmission electron microscope (TEM), and X-ray diffraction (XRD) after a specific heat treatment. SEM and TEM allows us to see the morphology of the hexagonally patterned templates and XRD shows the change in the crystallinity of the titania after the heat treatment. Further tests are run with the Solartron™ CellTest potentiostat syste, which, allows us to study the electrical properties of the nanocomposites. The composites synthesized have wide applications in number of fields, including energy, sensors and electronics.

Effects of Fuel Composition on Combustion Stability and NO X Emissions for Traditional and Alternative Jet Fuels

NASA Astrophysics Data System (ADS)

Vijlee, Shazib Z.

Synthetic jet fuels are studied to help understand their viability as alternatives to traditionally derived jet fuel. Two combustion parameters -- flame stability and NOX emissions -- are used to compare these fuels through experiments and models. At its core, this is a fuels study comparing how chemical makeup and behavior relate. Six 'real', complex fuels are studied in this work -- four are synthetic from alternative sources and two are traditional from petroleum sources. Two of the synthetic fuels are derived from natural gas and coal via the Fischer Tropsch catalytic process. The other two are derived from Camelina oil and tallow via hydroprocessing. The traditional military jet fuel, JP8, is used as a baseline as it is derived from petroleum. The sixth fuel is derived from petroleum and is used to study the effects of aromatic content on the synthetic fuels. The synthetic fuels lack aromatic compounds, which are an important class of hydrocarbons necessary for fuel handling systems to function properly. Several single-component fuels are studied (through models and/or experiments) to facilitate interpretation and understanding. The flame stability study first compares all the 'real', complex fuels for blowout. A toroidal stirred reactor is used to try and isolate temperature and chemical effects. The modeling study of blowout in the toroidal reactor is the key to understanding any fuel-based differences in blowout behavior. A detailed, reacting CFD model of methane is used to understand how the reactor stabilizes the flame and how that changes as the reactor approaches blowout. A 22 species reduced form of GRI 3.0 is used to model methane chemistry. The knowledge of the radical species role is utilized to investigate the differences between a highly aliphatic fuel (surrogated by iso-octane) and a highly aromatic fuel (surrogated by toluene). A perfectly stirred reactor model is used to study the chemical kinetic pathways for these fuels near blowout. The differences in flame stabilization can be attributed to the rate at which these fuels are attacked and destroyed by radical species. The slow disintegration of the aromatic rings reduces the radical pool available for chain-initiating and chain-branching, which ultimately leads to an earlier blowout. The NOX study compares JP8, the aromatic additive, the synthetic fuels with and without an aromatic additive, and an aromatic surrogate (1,3,5-trimethylbenzene). A jet stirred reactor is used to try and isolate temperature and chemical effects. The reactor has a volume of 15.8 mL and a residence time of approximately 2.5 ms. The fuel flow rate (hence equivalence ratio) is adjusted to achieve nominally consistent temperatures of 1800, 1850, and 1900K. Small oscillations in fuel flow rate cause the data to appear in bands, which facilitated Arrhenius-type NOX-temperature correlations for direct comparison between fuels. The fuel comparisons are somewhat inconsistent, especially when the aromatic fuel is blended into the synthetic fuels. In general, the aromatic surrogate (1,3,5-trimethylbenzene) produces the most NOX, followed by JP8. The synthetic fuels (without aromatic additive) are always in the same ranking order for NOX production (HP Camelina > FT Coal > FT Natural Gas > HP Tallow). The aromatic additive ranks differently based on the temperature, which appears to indicate that some of the differences in NOX formation are due to the Zeldovich NOX formation pathway. The aromatic additive increases NOX for the HP Tallow and decreases NOX for the FT Coal. The aromatic additive causes increased NOX at low temperatures but decreases NOX at high temperatures for the HP Camelina and FT Natural Gas. A single perfectly stirred reactor model is used with several chemical kinetic mechanisms to study the effects of fuel (and fuel class) on NO X formation. The 27 unique NOX formation reactions from GRI 3.0 are added to published mechanisms for jet fuel surrogates. The investigation first looked at iso-octane and toluene and found that toluene produces more NOX because of a larger pool of O radical. The O radical concentration was lower for iso-octane because of an increased concentration of methyl (CH 3) radical that consumes O radical readily. Several surrogate fuels (iso-octane, toluene, propylcyclohexane, n-octane, and 1,3,5-trimethylbenzene) are modeled to look for differences in NOX production. The trend (increased CH3 → decreased O → decreased NOX) is consistently true for all surrogate fuels with multiple kinetic mechanisms. It appears that the manner in which the fuel disintegrates and creates methyl radical is an extremely important aspect of how much NOX a fuel will produce. (Abstract shortened by UMI.).

Development of A 5,000 BBL, Rubberized Fabric Fuel Storage Tank, Collapsible,

DTIC Science & Technology

1981-04-01

Note l/ after soil burial. 6/ Reference fuel D is ASTM D-471, 60% iso-octane and 40% toluene. 7/ Retained after 56 days -25- i IGOODYEAR AEROSPACE 0 0...331.7) Pure. 9.I - 9.6 920 0() 09/O 0A) 2.7 ". paum Mese IEststa"t r.e ASIN 11-70 W1 I (ma) 7.3A -n-i I GAC 19-1337 Rev 2 USLE is (continmed) () The...the greater requirement. 5/ Method 5762 except that the specimens were prepared by Note 1/ after soil burial and the number of specimens was reduced

Small Volume Fuel Testers Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schoegl, I.; McNenly, M. J.; Killingsworth, N. J.

Micro-liter fuel ignition testing (μ-FIT) is based on the premise that characteristics FREI (Flames with Repetitive Extinction and Ignition, i.e. cyclically occurring combustion events within heated capillaries), are linked to fuel properties. In early FY16, proof-of-concept measurements with primary reference fuel (PRF) mixtures, i.e. blends of n-heptane and iso-octane, yielded clear evidence for the feasibility of the approach. Our experiments showed that it is critical to accurately link observed flame positions to local temperatures, which provides information on ignition, extinction and flame propagation, all of which are known to be impacted by fuel properties. In FY16, one major hurdle wasmore » uncertainty of temperature calibration, which required significant efforts for corrective action that were not included in the original scope of work. Temperature calibrations are obtained by translating a thermocouple within the capillary in absence of a flame. While measurements have good repeatability when accounting for transient and insertion effects, results from nominally identical thermocouples reveal unacceptable uncertainty (up to ±50K), which is attributed to variations in thermocouple placement and manufacturing tolerances. This issue is currently being resolved by switching to non-intrusive optical temperature measurements. Updates are expected to yield uncertainties of less than ±10K, while also eliminating transient and insertion effects. The experimental work was complemented by computational efforts where it was shown that a simplified Lagrangian zero-D model with detailed kinetics yields fuelspecific differentiation of ignition temperatures for simple fuels that are consistent with experiments. Further, a 2D transient model was implemented in OpenFOAM to investigate combustion behavior of simple fuels at elevated pressure. In an upcoming visit to LLNL, more advanced simulations using LLNL’s computational tools (e.g. zero-RK) are planned, which will yield additional numerical insights on FREI behavior of more realistic spark ignited (SI) engine fuel surrogates. As there is a lag between DOE FY16 and the time frame of the LSU subcontract, it is anticipated that deliverables outlined in the scope of work will be met by the end of the subcontract (January 2017).« less

Initial Observations on the Burning of an Ethanol Droplet in Microgravity

NASA Technical Reports Server (NTRS)

Kazakov, Andrei; Urban, Bradley; Conley, Jordan; Dryer, Frederick L.; Ferkul, Paul (Technical Monitor)

1999-01-01

Combustion of liquid ethanol represents an important system both from fundamental and practical points of view, Ethanol is currently being used as an additive to gasoline in order to reduce carbon monoxide and particulate emissions as well as to improve the fuel octane rating. A detailed physical understanding of liquid ethanol combustion is therefore necessary to achieve an optimal performance of such fuel blends in practical conditions. Ethanol is also a relatively simple model compound suitable for investigation of important combustion characteristics typical of more complex fuels. In particular, ethanol has been proposed for studies of sooting behavior during droplet burning. The sooting nature of ethanol has pressure sensitivities similar to that of n-heptane, but shifted to a higher range of pressures (1-3 atm). Additionally, liquid ethanol is miscible with water produced during its combustion forming mixtures with azeotropic behavior, a phenomenon important for understanding multi-component, liquid fuel combustion. In this work, we present initial results obtained in a series of recent space-based experiments and develop a detailed model describing the burning of ethanol droplet in microgravity.

Yields of Bacterial Cells from Hydrocarbons

PubMed Central

Wodzinski, Richard S.; Johnson, Marvin J.

1968-01-01

A strain of Nocardia and one of Pseudomonas, both isolated on pristane (2,6,10,14-tetramethylpentadecane), gave cell yields of approximately 100% on n-octadecane and pristane. Both organisms grew more rapidly on the n-octadecane than on the pristane. A mixed culture, isolated on 3-methylheptane, whose two components were identified as species of Pseudomonas and of Nocardia, gave approximately 100% cell yields and grew with generation times of about 5 hr on n-heptane, n-octane, and 2-methylheptane. The generation time on 3-methylheptane was 8.6 hr and the cell yield was only 79%. A strain of Pseudomonas isolated from naphthalene enrichments and one from phenanthrene enrichments both gave a cell yield of 50% on naphthalene. The phenanthrene isolate gave a cell yield of 40% on phenanthrene. A Nocardia species isolated on benzene gave a 79% cell yield on benzene. The generation times of the bacteria isolated on aromatic hydrocarbons were related to the solubility of the aromatic hydrocarbons on which they were grown; the more insoluble hydrocarbons gave slower growth. PMID:5726161

High pressure droplet burning experiments in reduced gravity

NASA Technical Reports Server (NTRS)

Chauveau, Christian; Goekalp, Iskender

1995-01-01

A parametric investigation of single droplet gasification regimes is helpful in providing the necessary physical ideas for sub-grid models used in spray combustion numerical prediction codes. A research program has been initiated at the LCSR to explore the vaporization regimes of single and interacting hydrocarbon and liquid oxygen droplets under high pressure conditions. This paper summarizes the status of the LCSR program on the high pressure burning of single fuel droplets; recent results obtained under normal and reduced gravity conditions with suspended droplets are presented. In the work described here, parabolic flights of the CNES Caravelle is used to create a reduced gravity environment of the order of 10(exp -2) g(sub O). For all the droplet burning experiments reported here, the suspended droplet initial diameters are scattered around 1.5 mm; and the ambient air temperature is 300 K. The ambient pressure is varied between 0.1 MPa and 12 MPa. Four fuels are investigated: methanol (Pc = 7.9 MPa), n-heptane (Pc = 2.74 MPa), n-hexane (Pc = 3.01 MPa) and n-octane (Pc = 2.48 MPa).

Direct numerical simulation of a combusting droplet with convection

NASA Technical Reports Server (NTRS)

Liang, Pak-Yan

1992-01-01

The evaporation and combustion of a single droplet under forced and natural convection was studied numerically from first principles using a numerical scheme that solves the time-dependent multiphase and multispecies Navier-Stokes equations and tracks the sharp gas-liquid interface cutting across an arbitrary Eulerian grid. The flow fields both inside and outside of the droplet are resolved in a unified fashion. Additional governing equations model the interphase mass, energy, and momentum exchange. Test cases involving iso-octane, n-hexane, and n-propanol droplets show reasonable comparison rate, and flame stand-off distance. The partially validated code is, thus, readied to be applied to more demanding droplet combustion situations where substantial drop deformation render classical models inadequate.

Effectiveness of isopropyl myristate/cyclomethicone D5 solution of removing cuticular hydrocarbons from human head lice (Pediculus humanus capitis)

PubMed Central

2012-01-01

Background In the treatment of human head lice infestation, healthcare providers are increasingly concerned about lice becoming resistant to existing pesticide treatments. Traditional pesticides, used to control these pests, have a neurological mechanism of action. This publication describes a topical solution with a non-traditional mechanism of action, based on physical disruption of the wax layer that covers the cuticle of the louse exoskeleton. This topical solution has been shown clinically to cure 82% of patients with only a 10-minute treatment time, repeated once after 7 days. All insects, including human head lice, have a wax-covered exoskeleton. This wax, composed of hydrocarbons, provides the insect with protection against water loss and is therefore critical to its survival. When the protective wax is disrupted, water loss becomes uncontrollable and irreversible, leading to dehydration and death. A specific pattern of hydrocarbons has been found in all of the head louse cuticular wax studied. Iso-octane effectively removes these hydrocarbons from human head lice’s cuticular wax. Methods A method of head louse cuticle wax extraction and analysis by gas chromatography was developed. Human head lice (Pediculus humanus capitis) were collected from infested patients and subjected to any of three extraction solvents comprising either the test product or one of two solvents introduced as controls. A gas chromatograph equipped with a flame ionization detector (GC/FID) was used to determine the presence of hydrocarbons in the three head lice extracts. Results In the study reported herein, the test product isopropyl myristate/cyclomethicone D5 (IPM/D5) was shown to perform comparably with iso-octane, effectively extracting the target hydrocarbons from the cuticular wax that coats the human head louse exoskeleton. Conclusions Disruption of the integrity of the insect cuticle by removal of specific hydrocarbons found in the cuticular wax appears to offer a mechanism for killing lice without the likelihood of encountering genetic resistance. PMID:22943314

Effectiveness of isopropyl myristate/cyclomethicone D5 solution of removing cuticular hydrocarbons from human head lice (Pediculus humanus capitis).

PubMed

Barnett, Eric; Palma, Kathleen G; Clayton, Bert; Ballard, Timothy

2012-09-03

In the treatment of human head lice infestation, healthcare providers are increasingly concerned about lice becoming resistant to existing pesticide treatments. Traditional pesticides, used to control these pests, have a neurological mechanism of action. This publication describes a topical solution with a non-traditional mechanism of action, based on physical disruption of the wax layer that covers the cuticle of the louse exoskeleton. This topical solution has been shown clinically to cure 82% of patients with only a 10-minute treatment time, repeated once after 7 days. All insects, including human head lice, have a wax-covered exoskeleton. This wax, composed of hydrocarbons, provides the insect with protection against water loss and is therefore critical to its survival. When the protective wax is disrupted, water loss becomes uncontrollable and irreversible, leading to dehydration and death. A specific pattern of hydrocarbons has been found in all of the head louse cuticular wax studied. Iso-octane effectively removes these hydrocarbons from human head lice's cuticular wax. A method of head louse cuticle wax extraction and analysis by gas chromatography was developed. Human head lice (Pediculus humanus capitis) were collected from infested patients and subjected to any of three extraction solvents comprising either the test product or one of two solvents introduced as controls. A gas chromatograph equipped with a flame ionization detector (GC/FID) was used to determine the presence of hydrocarbons in the three head lice extracts. In the study reported herein, the test product isopropyl myristate/cyclomethicone D5 (IPM/D5) was shown to perform comparably with iso-octane, effectively extracting the target hydrocarbons from the cuticular wax that coats the human head louse exoskeleton. Disruption of the integrity of the insect cuticle by removal of specific hydrocarbons found in the cuticular wax appears to offer a mechanism for killing lice without the likelihood of encountering genetic resistance.

Molecular-dynamics simulation of mutual diffusion in nonideal liquid mixtures

NASA Astrophysics Data System (ADS)

Rowley, R. L.; Stoker, J. M.; Giles, N. F.

1991-05-01

The mutual-diffusion coefficients, D 12, of n-hexane, n-heptane, and n-octane in chloroform were modeled using equilibrium molecular-dynamics (MD) simulations of simple Lennard-Jones (LJ) fluids. Pure-component LJ parameters were obtained by comparison of simulations to experimental self-diffusion coefficients. While values of “effective” LJ parameters are not expected to simulate accurately diverse thermophysical properties over a wide range of conditions, it was recently shown that effective parameters obtained from pure self-diffusion coefficients can accurately model mutual diffusion in ideal, liquid mixtures. In this work, similar simulations are used to model diffusion in nonideal mixtures. The same combining rules used in the previous study for the cross-interaction parameters were found to be adequate to represent the composition dependence of D 12. The effect of alkane chain length on D 12 is also correctly predicted by the simulations. A commonly used assumption in empirical correlations of D 12, that its kinetic portion is a simple, compositional average of the intradiffusion coefficients, is inconsistent with the simulation results. In fact, the value of the kinetic portion of D 12 was often outside the range of values bracketed by the two intradiffusion coefficients for the nonideal system modeled here.

Determination of Carbonyl Compounds in Cork Agglomerates by GDME-HPLC-UV: Identification of the Extracted Compounds by HPLC-MS/MS.

PubMed

Brandão, Pedro Francisco; Ramos, Rui Miguel; Almeida, Paulo Joaquim; Rodrigues, José António

2017-02-08

A new approach is proposed for the extraction and determination of carbonyl compounds in solid samples, such as wood or cork materials. Cork products are used as building materials due to their singular characteristics; however, little is known about its aldehyde emission potential and content. Sample preparation was done by using a gas-diffusion microextraction (GDME) device for the direct extraction of volatile aldehydes and derivatization with 2,4-dinitrophenylhydrazine. Analytical determination of the extracts was done by HPLC-UV, with detection at 360 nm. The developed methodology proved to be a reliable tool for aldehyde determination in cork agglomerate samples with suitable method features. Mass spectrometry studies were performed for each sample, which enabled the identification, in the extracts, of the derivatization products of a total of 13 aldehydes (formaldehyde, acetaldehyde, furfural, propanal, 5-methylfurfural, butanal, benzaldehyde, pentanal, hexanal, trans-2-heptenal, heptanal, octanal, and trans-2-nonenal) and 4 ketones (3-hydroxy-2-butanone, acetone, cyclohexanone, and acetophenone). This new analytical methodology simultaneously proved to be consistent for the identification and determination of aldehydes in cork agglomerates and a very simple and straightforward procedure.

Chemical and Sensory Characterization of Oxidative Changes in Roasted Almonds Undergoing Accelerated Shelf Life.

PubMed

Franklin, Lillian M; Chapman, Dawn M; King, Ellena S; Mau, Mallory; Huang, Guangwei; Mitchell, Alyson E

2017-03-29

In almonds, there is no standard method for detecting oxidative changes and little data correlating consumer perception with chemical markers of rancidity. To address this, we measured peroxide values (PV), free fatty acid values (FFAs), conjugated dienes, tocopherols, headspace volatiles, and consumer hedonic response in light roasted (LR) and dark roasted (DR) almonds stored under conditions that promote rancidity development over 12 months. Results demonstrate that, although rancidity develops at different rates in LR and DR almonds, consumer liking was not significantly different between LR and DR almonds. Average hedonic ratings of almonds were found to fall below a designated acceptable score of 5 ("neither like nor dislike") by 6 months of storage. This did not correspond with recommended industry rejection standard of PV < 5 mequiv peroxide/kg oil and FFA < 1.5% oleic. FFAs remain well below <1.5% oleic during storage, indicating that FFAs are not a good marker of rancidity in roasted almonds stored in low humidity environments. Regression of consumer liking to concentration of rancidity indicators revealed that selected headspace volatiles, including heptanal, octanal, nonanal, 2-octenal, 2-heptanone, 2-pentylfuran, hexanal, and pentanal, had a better correlation with liking than did nonvolatile indicators.

Identification and biotransformation of aliphatic hydrocarbons during co-composting of sewage sludge-Date Palm waste using Pyrolysis-GC/MS technique.

PubMed

El Fels, Loubna; Lemee, Laurent; Ambles, André; Hafidi, Mohamed

2016-08-01

The behavior of aliphatic hydrocarbons during co-composting of sewage sludge activated with palm tree waste was studied for 6 months using Py-GC/MS. The main aliphatic compounds represented as doublet alkenes/alkanes can be classified into three groups. The first group consists of 11 alkenes (undecene, tridecene, pentadecene, hexadecene, heptadecene, octadecene, nonadecene, eicosene, uncosene, docosene, tricosene) and 15 alkanes (heptane, octane, nonane, decane, undecane, dodecane, tetradecane, pentadecane, heptadecane, octadecane, nonadecane, eicosane, uncosane, docosane, and tricosane), which remain stable during the co-composting process. The stability of these compounds is related to their recalcitrance behavior. The second group consists of five alkenes (heptene, octene, nonene, decene, dodecene) and tridecane as a single alkane that decreases during co-composting. The decrease in these compounds is the combined result of their metabolism and their conversion into other compounds. The third group is constituted with tetradecene and hexadecane that increase during composting, which could be explained by accumulation of these compounds, which are released by the partial breakdown of the substrate. As a result, these molecules are incorporated or adsorbed in the structure of humic substances.

n-Aldehydes (C6-C10) in snow samples collected at the high alpine research station Jungfraujoch during CLACE 5

NASA Astrophysics Data System (ADS)

Sieg, K.; Starokozhev, E.; Fries, E.; Sala, S.; Püttmann, W.

2009-03-01

Samples of freshly fallen snow were collected at the high alpine research station Jungfraujoch, Switzerland, during the Cloud and Aerosol Characterization Experiments (CLACE) 5 in February and March 2006. Sampling was carried out on the Sphinx platform. Headspace-solid-phase-dynamic extraction (HS-SPDE) combined with gas chromatography/mass spectrometry (GC/MS) was used to quantify C6-C10 n-aldehydes in the snow samples. The most abundant n-aldehyde was n-hexanal (median concentration 1.324 μg L-1) followed by n-nonanal, n-decanal, n-octanal and n-heptanal (median concentrations 1.239, 0.863, 0.460, and 0.304 μg L-1, respectively). A wide range of concentrations was found among individual snow samples, even for samples taken at the same time. Higher median concentrations of all n-aldehydes were observed when air masses reached Jungfraujoch from the north-northwest in comparison to air masses arriving from the southeast-southwest. Results suggest that the n-aldehydes detected most likely are of direct and indirect biogenic origin, and that they entered the snow through the particle phase.

Aspects of Cool-Flame Supported Droplet Combustion in Microgravity

NASA Technical Reports Server (NTRS)

Nayagam, Vedha; Dietrich, Daniel L.; Williams, Forman A.

2015-01-01

Droplet combustion experiments performed on board the International Space Station have shown that normal-alkane fuels with negative temperature coefficient (NTC) chemistry can support quasi-steady, low-temperature combustion without any visible flame. Here we review the results for n-decane, n-heptane, and n-octane droplets burning in carbon dioxidehelium diluted environments at different pressures and initial droplet sizes. Experimental results for cool-flame burning rates, flame standoff ratios, and extinction diameters are compared against simplified theoretical models of the phenomenon. A simplified quasi-steady model based on the partial-burning regime of Lin predicts the burning rate, and flame standoff ratio reasonably well for all three normal alkanes. The second-stage cool-flame burning and extinction following the first-stage hot-flame combustion, however, shows a small dependence on the initial droplet size, thus deviating from the quasi-steady results. An asymptotic model that estimates the oxygen depletion by the hot flame and its influence on cool-flame burning rates is shown to correct the quasi-steady results and provide a better comparison with the measured burning-rate results.This work was supported by the NASA Space Life and Physical Sciences Research and Applications Program and the International Space Station Program.

Sequential biodegradation of complex naphtha hydrocarbons under methanogenic conditions in two different oil sands tailings.

PubMed

Mohamad Shahimin, Mohd Faidz; Siddique, Tariq

2017-02-01

Methane emissions in oil sands tailings ponds are sustained by anaerobic biodegradation of unrecovered hydrocarbons. Naphtha (primarily C 6 -C 10 ; n- iso- and cycloalkanes) is commonly used as a solvent during bitumen extraction process and its residue escapes to tailings ponds during tailings deposition. To investigate biodegradability of hydrocarbons in naphtha, mature fine tailings (MFT) collected from Albian and CNRL tailings ponds were amended with CNRL naphtha at ∼0.2 wt% (∼2000 mg L -1 ) and incubated under methanogenic conditions for ∼1600 d. Microbial communities in both MFTs started metabolizing naphtha after a lag phase of ∼100 d. Complete biodegradation/biotransformation of all n-alkanes (except partial biodegradation of n-octane in CNRL MFT) followed by major iso-alkanes (2-methylpentane, 3-methylhexane, 2- and 4-methylheptane, iso-nonanes and 2-methylnonane) and a few cycloalkanes (derivatives of cyclopentane and cyclohexane) was observed during the incubation. 16S rRNA gene pyrosequencing showed dominance of Peptococcaceae and Anaerolineaceae in Albian MFT and Anaerolineaceae and Syntrophaceae in CNRL MFT bacterial communities with co-domination of Methanosaetaceae and "Candidatus Methanoregula" in archaeal populations during active biodegradation of hydrocarbons. The findings extend the known range of hydrocarbons susceptible to methanogenic biodegradation in petroleum-impacted anaerobic environments and help refine existing kinetic model to predict greenhouse gas emissions from tailings ponds. Copyright © 2016 Elsevier Ltd. All rights reserved.

Rational Design of Hyperbranched Nanowire Systems for Tunable Superomniphobic Surfaces Enabled by Atomic Layer Deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bielinski, Ashley R.; Boban, Mathew; He, Yang

2017-01-24

A method for tunable control of geometry in hyperbranched ZnO nanowire (NW) systems is reported, which enables the rational design and fabrication of superomniphobic surfaces. Branched NWs with tunable density and orientation were grown via a sequential hydrothermal process, in which atomic layer deposition (ALD) was used for NW seeding, disruption of epitaxy, and selective blocking of NW nucleation. This approach allows for the rational design and optimization of three-level hierarchical structures, in which the geometric parameters of each level of hierarchy can be individually controlled. We demonstrate the coupled relationships between geometry and contact angle for a variety ofmore » liquids, which is supported by mathematical models of structural superomniphobicity. The highest performing superomniphobic surface was designed with three levels of hierarchy and achieved the following advancing/receding contact angles, water: 172°/170°, hexadecane: 166°/156°, octane: 162°/145°, and heptane: 160°/130°. Low surface tension liquids were shown to bounce off the surface from a height of 7 cm without breaking through and wetting. This approach demonstrates the power of ALD as an enabling technique for hierarchical materials by design, spanning the macro, micro, and nano length scales.« less

Differentiation between decomposed remains of human origin and bigger mammals.

PubMed

Rosier, E; Loix, S; Develter, W; Van de Voorde, W; Cuypers, E; Tytgat, J

2017-08-01

This study is a follow-up study in the search for a human specific marker in the decomposition where the VOC-profile of decomposing human, pig, lamb and roe remains were analyzed using a thermal desorber combined with a gas chromatograph coupled to a mass spectrometer in a laboratory environment during 6 months. The combination of 8 previously identified human and pig specific compounds (ethyl propionate, propyl propionate, propyl butyrate, ethyl pentanoate, 3-methylthio-1-propanol, methyl(methylthio)ethyl disulfide, diethyl disulfide and pyridine) was also seen in these analyzed mammals. However, combined with 5 additional compounds (hexane, heptane, octane, N-(3-methylbutyl)- and N-(2-methylpropyl)acetamide) human remains could be separated from pig, lamb and roe remains. Based on a higher number of remains analyzed, as compared with the pilot study, it was no longer possible to rely on the 5 previously proposed esters to separate pig from human remains. From this follow-up study reported, it was found that pyridine is an interesting compound specific to human remains. Such a human specific marker can help in the training of cadaver dogs or in the development of devices to search for human remains. However, further investigations have to verify these results. Copyright © 2017 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

Characterization of volatile aroma compounds in different brewing barley cultivars.

PubMed

Dong, Liang; Hou, Yingmin; Li, Feng; Piao, Yongzhe; Zhang, Xiao; Zhang, Xiaoyu; Li, Cheng; Zhao, Changxin

2015-03-30

Beer is a popular alcoholic malt beverage resulting from fermentation of the aqueous extract of malted barley with hops. The aroma of brewing barley impacts the flavor of beer indirectly, because some flavor compounds or their precursors in beer come from the barley. The objectives of this research were to study volatile profiles and to characterize odor-active compounds of brewing barley in order to determine the variability of the aroma composition among different brewing barley cultivars. Forty-one volatiles comprising aldehydes, ketones, alcohols, organic acids, aromatic compounds and furans were identified using solid phase microextraction combined with gas chromatography/mass spectrometry, among which aldehydes, alcohols and ketones were quantitatively in greatest abundance. Quantitative measurements performed by means of solvent extraction and calculation of odor activity values revealed that acetaldehyde, 2-methylpropanal, 3-methylbutanal, 2-methylbutanal, hexanal, heptanal, octanal, nonanal, 3-methyl-1-butanol, cyclopentanol, 2,3-butanedione, 2,3-pentanedione, 2-heptanone, acetic acid, ethyl acetate, 2-pentylfuran and benzeneacetaldehyde, whose concentrations exceeded their odor thresholds, could be considered as odor-active compounds of brewing barley. Principal component analysis was employed to evaluate the differences among cultivars. The results demonstrated that the volatile profile based on the concentrations of aroma compounds enabled good differentiation of most barley cultivars. © 2014 Society of Chemical Industry.

Common Host-Derived Chemicals Increase Catches of Disease-Transmitting Mosquitoes and Can Improve Early Warning Systems for Rift Valley Fever Virus

PubMed Central

Tchouassi, David P.; Sang, Rosemary; Sole, Catherine L.; Bastos, Armanda D. S.; Teal, Peter E. A.; Borgemeister, Christian; Torto, Baldwyn

2013-01-01

Rift Valley fever (RVF), a mosquito-borne zoonosis, is a major public health and veterinary problem in sub-Saharan Africa. Surveillance to monitor mosquito populations during the inter-epidemic period (IEP) and viral activity in these vectors is critical to informing public health decisions for early warning and control of the disease. Using a combination of field bioassays, electrophysiological and chemical analyses we demonstrated that skin-derived aldehydes (heptanal, octanal, nonanal, decanal) common to RVF virus (RVFV) hosts including sheep, cow, donkey, goat and human serve as potent attractants for RVFV mosquito vectors. Furthermore, a blend formulated from the four aldehydes and combined with CO2-baited CDC trap without a light bulb doubled to tripled trap captures compared to control traps baited with CO2 alone. Our results reveal that (a) because of the commonality of the host chemical signature required for attraction, the host-vector interaction appears to favor the mosquito vector allowing it to find and opportunistically feed on a wide range of mammalian hosts of the disease, and (b) the sensitivity, specificity and superiority of this trapping system offers the potential for its wider use in surveillance programs for RVFV mosquito vectors especially during the IEP. PMID:23326620

40 CFR 86.113-04 - Fuel specifications.

Code of Federal Regulations, 2010 CFR

2010-07-01

... (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for... octane specifications do not apply: Item ASTM test method No. Value Octane, Research, Min. D 2699 93... have a minimum sensitivity of 7.5 octane numbers, where sensitivity is defined as the Research octane...

40 CFR 86.113-04 - Fuel specifications.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., Research, Min. D 2699 93 Sensitivity, Min. 7.5 Lead (organic), max. g/U.S. gal. (g/liter) D 3237 0.050 (0... Retail octane number above the lowest octane rating that meets the fuel grade the manufacturer will... Retail octane number rather than a fuel grade, then the octane rating of the service accumulation...

Octanal inhibits spore germination of Penicillium digitatum involving membrane peroxidation.

PubMed

Dou, Shiwen; Liu, Shengquan; Xu, Xiaoyong; OuYang, Qiuli; Tao, Nengguo

2017-07-01

Octanal is a potential alternative to chemical fungicides in controlling postharvest disease of citrus fruit. In this study, the antifungal activity and the underlying mechanism of octanal against spore germination of Penicillium digitatum, one of the main postharvest pathogens in citrus, were investigated. Results showed that octanal at different concentrations (0, 0.25, 0.50, 1.00, 2.00 μl/ml) inhibited the growth of P. digitatum spores in a dose-dependent manner. The morphology and the membrane permeability of P. digitatum spores were visibly altered by 0.25 and 2.00 μl/ml of octanal. Meanwhile, octanal decreased the total lipids contents of P. digitatum spores, indicating that the membrane integrity is damaged. Furthermore, octanal apparently induced the massive accumulation of total malonaldehyde (MDA) and the reactive oxygen species (ROS). An increase in the activities of lipoxygenase (LOX), NADH oxidase, superoxide dismutase (SOD), catalase (CAT), and peroxidase (POD) was also observed. These results suggested that a membrane damage mechanism involving membrane peroxidation might contribute to the antifungal activity of octanal against P. digitatum spores.

A pharmacological profile of the aldehyde receptor repertoire in rat olfactory epithelium

PubMed Central

Araneda, Ricardo C; Peterlin, Zita; Zhang, Xinmin; Chesler, Alex; Firestein, Stuart

2004-01-01

Several lines of evidence suggest that odorants are recognized through a combinatorial process in the olfactory system; a single odorant is recognized by multiple receptors and multiple odorants are recognized by the same receptor. However few details of how this might actually function for any particular odour set or receptor family are available. Approaching the problem from the ligands rather than the receptors, we used the response to a common odorant, octanal, as the basis for defining multiple receptor profiles. Octanal and other aldehydes induce large EOG responses in the rodent olfactory epithelium, suggesting that these compounds activate a large number of odour receptors (ORs). Here, we have determined and compared the pharmacological profile of different octanal receptors using Ca2+ imaging in isolated olfactory sensory neurones (OSNs). It is believed that each OSN expresses only one receptor, thus the response profile of each cell corresponds to the pharmacological profile of one particular receptor. We stimulated the cells with a panel of nine odorants, which included octanal, octanoic acid, octanol and cinnamaldehyde among others (all at 30μm). Cluster analysis revealed several distinct pharmacological profiles for cells that were all sensitive to octanal. Some receptors had a broad molecular range, while others were activated only by octanal. Comparison of the profiles with that of the one identified octanal receptor, OR-I7, indicated several differences. While OR-I7 is activated by low concentrations of octanal and blocked by citral, other receptors were less sensitive to octanal and not blocked by citral. A lower estimate for the maximal number of octanal receptors is between 33 and 55. This large number of receptors for octanal suggests that, although the peripheral olfactory system is endowed with high sensitivity, discrimination among different compounds probably requires further central processing. PMID:14724183

40 CFR 721.4385 - Hydrofluoric acid, reaction products with heptane.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Hydrofluoric acid, reaction products... Specific Chemical Substances § 721.4385 Hydrofluoric acid, reaction products with heptane. (a) Chemical... hydrofluoric acid, reaction products with heptane (PMN P-98-1036; CAS No. 207409-71-0) is subject to reporting...

40 CFR 721.4385 - Hydrofluoric acid, reaction products with heptane.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Hydrofluoric acid, reaction products... Specific Chemical Substances § 721.4385 Hydrofluoric acid, reaction products with heptane. (a) Chemical... hydrofluoric acid, reaction products with heptane (PMN P-98-1036; CAS No. 207409-71-0) is subject to reporting...

Exploring the Relationship Between Octane Sensitivity and Heat-of-Vaporization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sluder, C. Scott; Szybist, James P.; McCormick, Robert L.

2016-04-05

The latent heat-of-vaporization (HoV) of blends of biofuel and hydrocarbon components into gasolines has recently experienced expanded interest because of the potential for increased HoV to increase fuel knock resistance in direct-injection (DI) engines. Several studies have been conducted, with some studies identifying an additional anti-knock benefit from HoV and others failing to arrive at the same conclusion. Consideration of these studies holistically shows that they can be grouped according to the level of fuel octane sensitivity variation within their fuel matrices. When comparing fuels of different octane sensitivity significant additional anti-knock benefits associated with HoV are sometimes observed. Studiesmore » that fix the octane sensitivity find that HoV does not produce additional anti-knock benefit. New studies were performed at ORNL and NREL to further investigate the relationship between HoV and octane sensitivity. Three fuels were formulated for the ORNL study with matched RON and octane sensitivity, but with differing HoV. Experiments with these fuels in a 1.6-liter GTDI engine showed that the fuels exhibited very similar combustion phasing under knock-limited spark advance (KLSA) conditions. Fuels having a range of RON, octane sensitivity, and HoV were tested at NREL in a single-cylinder GDI engine under conditions where octane sensitivity has little effect on knock resistance. KLSA was found to be well correlated with RON. These results reinforce the concept that HoV anti-knock effects can be viewed as a contributor to octane sensitivity. From this viewpoint, HoV effects manifest themselves as increases in octane sensitivity.« less

Liquid-liquid equilibria for the ternary systems sulfolane + octane + benzene, sulfolane + octane + toluene and sulfolane + octane + p-xylene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, S.; Kim, H.

1995-03-01

Sulfolane is widely used as a solvent for the extraction of aromatic hydrocarbons. Ternary phase equilibrium data are essential for the proper understanding of the solvent extraction process. Liquid-liquid equilibrium data for the systems sulfolane + octane + benzene, sulfolane + octane + toluene and sulfolane + octane + p-xylene were determined at 298.15, 308.15, and 318.15 K. Tie line data were satisfactorily correlated by the Othmer and Tobias method. The experimental data were compared with the values calculated by the UNIQUAC and NRTL models. Good quantitative agreement was obtained with these models. However, the calculated values based on themore » NRTL model were found to be better than those based on the UNIQUAC model.« less

Push-Pull Effects of Three Plant Secondary Metabolites on Oviposition of the Potato Tuber Moth, Phthorimaea operculella

PubMed Central

Ma, Y.F.; Xiao, C.

2013-01-01

The push-pull effects of three plant secondary metabolites, azadirachtin, eucalyptol, and heptanal, on the oviposition choices of potato tubers by the potato tuber moth, Phthorimaea operculella (Zeller) (Lepidoptera: Gelechiidae) were tested in the laboratory. Azadirachtin at concentrations from 1.5 to 12 mg/L had a significant repellent effect on oviposition. Eucalyptol at concentrations from 3 to 12 mg/L promoted oviposition. Heptanal promoted oviposition at low concentrations from 0.1875 to 3.0 mg/L but repelled it at higher concentrations from 12 to 24 mg/L. The combination of azadirachtin (12 mg/L) with eucalyptol (3.0 mg/L) resulted in a significant pushpull effect of 56.3% on oviposition. The average maximum push-pull effects occurred with the combinations of azadirachtin with heptanal (12 and 0.375 mg/L, respectively; 38.7% push-pull effect), heptanal with eucalyptol (12 and 6 mg/L, respectively; 31.4% push-pull effect), and heptanal (high concentration) with heptanal (low concentration) (12.0 and 0.375 mg/L, respectively; 25% push-pull effect). PMID:24786822

Urinary excretion of heptanones, heptanoles and 2,5-heptanedione after controlled acute exposure of volunteers to n-heptane.

PubMed

Rossbach, Bernd; Kegel, Peter; Letzel, Stephan

2018-03-27

A lack of well-established parameters and assessment values currently impairs biomonitoring of n-heptane exposure. Using controlled inhalation experiments, we collected information on urinary n-heptane metabolite concentrations and the time course of metabolite excretion. Relationships between external and internal exposure were analysed to investigate the suitability of selected metabolites to reflect n-heptane uptake. Twenty healthy, non-smoking males (aged 19-38 years, median 25.5) were exposed for 3 h to 167, 333 and 500 ppm n-heptane, each. Spot urine samples of the volunteers, collected before exposure and during the following 24 h, were analysed for heptane-2-one, 3-one, 4-one, 2,5-dione, 1-ol, 2-ol, 3-ol, and 4-ol using headspace solid phase dynamic extraction gas chromatography/mass spectrometry (HS-SPDE-GC/MS). Starting from median pre-exposure concentrations between <0.5 (3-one) and 82.9 μg/L (4-one), exposure increased the concentrations for all parameters except for 4-one. Median post-exposure concentrations ranged up to 840.4 μg/L (2-ol) and decreased with half-lifes <3 h after exposure. Non-parametric correlation analyses (n = 47, p < 0.05) revealed weak to moderate associations of volume related metabolite excretion with external exposure for 2-one, 3-one and 2,5-dione (R = 0.332-0.753). Heptanol excretion was moderately associated with exposure (R ≥ 0.509) only after creatinine adjustment. Lacking association with external exposure impedes the use of 4-one as heptane biomarker, whereas 2-ol and 3-ol turned out to be sensitive indicators of exposure if creatinine correction is applied. By providing fundamental data on a panel of eight potential heptane metabolites, our study can help to promote biological monitoring of n-heptane exposure. Copyright © 2018 Elsevier B.V. All rights reserved.

Spectroscopic and chemical-kinetic analysis of the phases of HCCI autoignition and combustion for single- and two-stage ignition fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hwang, Wontae; Dec, John; Sjoeberg, Magnus

The temporal phases of autoignition and combustion in an HCCI engine have been investigated in both an all-metal engine and a matching optical engine. Gasoline, a primary reference fuel mixture (PRF80), and several representative real-fuel constituents were examined. Only PRF80, which is a two-stage ignition fuel, exhibited a ''cool-flame'' low-temperature heat-release (LTHR) phase. For all fuels, slow exothermic reactions occurring at intermediate temperatures raised the charge temperature to the hot-ignition point. In addition to the amount of LTHR, differences in this intermediate-temperature heat-release (ITHR) phase affect the fuel ignition quality. Chemiluminescence images of iso-octane show a weak and uniform lightmore » emission during this phase. This is followed by the main high-temperature heat-release (HTHR) phase. Finally, a ''burnout'' phase was observed, with very weak uniform emission and near-zero heat-release rate (HRR). To better understand these combustion phases, chemiluminescence spectroscopy and chemical-kinetic analysis were applied for the single-stage ignition fuel, iso-octane, and the two-stage fuel, PRF80. For both fuels, the spectrum obtained during the ITHR phase was dominated by formaldehyde chemiluminescence. This was similar to the LTHR spectrum of PRF80, but the emission intensity and the temperature were much higher, indicating differences between the ITHR and LTHR phases. Chemical-kinetic modeling clarified the differences and similarities between the LTHR and ITHR phases and the cause of the enhanced ITHR with PRF80. The HTHR spectra for both fuels were dominated by a broad CO continuum with some contribution from bands of HCO, CH, and OH. The modeling showed that the CO+ O{yields}CO{sub 2}+h{nu} reaction responsible for the CO continuum emission tracks the HTHR well, explaining the strong correlation observed experimentally between the total chemiluminescence and HRR during the HTHR phase. It also showed that the CO continuum does not contribute to the ITHR and LTHR chemiluminescence. Bands of H{sub 2}O and O{sub 2} in the red and IR regions were also detected during the HTHR, which the data indicated were most likely due to thermal excitation. The very weak light emission in the ''burnout'' phase also appeared to be thermal emission from H{sub 2}O and O{sub 2}. (author)« less

Condensation of binary mixtures on horizontal tubes

NASA Astrophysics Data System (ADS)

Büchner, A.; Reif, A.; Rehfeldt, S.; Klein, H.

2017-12-01

The two most common models to describe the condensation of binary mixtures are the equilibrium model by Silver (Trans Inst Chem Eng 25:30-42, 1947) and the film model by Colburn and Drew (Transactions of the American Institute of Chemical Engineers 33:197-215, 1937), which is stated by Webb et al. (Int J Heat Mass Transf 39:3147-3156, 1996) as more accurate. The film model describes the outer heat transfer coefficient by subdividing it into two separate resistances against the heat transfer. The resistance of the liquid condensate film on the tube can be calculated with equations for the condensation of pure substances for the analogous flow pattern and geometry using the property data of the mixture. The resistance in the gas phase can be described by a thermodynamic parameter Z and the single phase heat transfer coefficient α G . In this work measurements for condensation of the binary mixtures n-pentane/iso-octane and iso-propanol/water on horizontal tubes for free convection are carried out. The obtained results are compared with the film model by Colburn and Drew (Transactions of the American Institute of Chemical Engineers 33:197-215, 1937). The comparison shows a rather big deviation between the theoretical model and the experimental results. To improve the prediction quality an own model based on dimensionless numbers is proposed, which describes the experimental results of this work significantly better than the film model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pawlowski, Alexander; Splitter, Derek A

It is well known that spark ignited engine performance and efficiency is closely coupled to fuel octane number. The present work combines historical and recent trends in spark ignition engines to build a database of engine design, performance, and fuel octane requirements over the past 80 years. The database consists of engine compression ratio, required fuel octane number, peak mean effective pressure, specific output, and combined unadjusted fuel economy for passenger vehicles and light trucks. Recent trends in engine performance, efficiency, and fuel octane number requirement were used to develop correlations of fuel octane number utilization, performance, specific output. Themore » results show that historically, engine compression ratio and specific output have been strongly coupled to fuel octane number. However, over the last 15 years the sales weighted averages of compression ratios, specific output, and fuel economy have increased, while the fuel octane number requirement has remained largely unchanged. Using the developed correlations, 10-year-out projections of engine performance, design, and fuel economy are estimated for various fuel octane numbers, both with and without turbocharging. The 10-year-out projection shows that only by keeping power neutral while using 105 RON fuel will allow the vehicle fleet to meet CAFE targets if only the engine is relied upon to decrease fuel consumption. If 98 RON fuel is used, a power neutral fleet will have to reduce vehicle weight by 5%.« less

Combustion characteristics and influential factors of isooctane active-thermal atmosphere combustion assisted by two-stage reaction of n-heptane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Xingcai; Ji, Libin; Ma, Junjun

2011-02-15

This paper presents an experimental study on the isooctane active-thermal atmosphere combustion (ATAC) which is assisted by two-stage reaction of n-heptane. The active-thermal atmosphere is created by low- and high-temperature reactions of n-heptane which is injected at intake port, and isooctane is directly injected into combustion chamber near the top dead center. The effects of isooctane injection timing, active-thermal atmosphere intensity, overall equivalence ratio, and premixed ratio on combustion characteristics and emissions are investigated. The experimental results reveal that, the isooctane ignition and combustion can be classified to thermal atmosphere combustion, active atmosphere combustion, and active-thermal atmosphere combustion respectively accordingmore » to the extent of n-heptane oxidation as well as effects of isooctane quenching and charge cooling. n-Heptane equivalence ratio, isooctane equivalence ratio and isooctane delivery advance angle are major control parameters. In one combustion cycle, the isooctane ignited and burned after those of n-heptane, and then this combustion phenomenon can also be named as dual-fuel sequential combustion (DFSC). The ignition timing of the overall combustion event is mainly determined by n-heptane equivalence ratio and can be controlled in flexibility by simultaneously adjusting isooctane equivalence ratio. The isooctane ignition regime, overall thermal efficiency, and NO{sub x} emissions show strong sensitivity to the fuel delivery advance angle between 20 CA BTDC and 25 CA BTDC. (author)« less

Ozone and Ozone By-Products in the Cabins of Commercial Aircraft

PubMed Central

Weisel, Clifford; Weschler, Charles J.; Mohan, Kris; Vallarino, Jose; Spengler, John D.

2013-01-01

The aircraft cabin represents a unique indoor environment due to its high surface-to-volume ratio, high occupant density and the potential for high ozone concentrations at cruising altitudes. Ozone was continuously measured and air was sampled on sorbent traps, targeting carbonyl compounds, on 52 transcontinental U.S. or international flights between 2008 and 2010. The sampling was predominantly on planes that did not have ozone scrubbers (catalytic converters). Peak ozone levels on aircraft without catalytic convertors exceeded 100 ppb, with some flights having periods of more than an hour when the ozone levels were > 75ppb. Ozone was greatly reduced on relatively new aircraft with catalytic convertors, but ozone levels on two flights whose aircraft had older convertors were similar to those on planes without catalytic convertors. Hexanal, heptanal, octanal, nonanal, decanal and 6-methyl-5-hepten-2-one (6-MHO) were detected in the aircraft cabin at sub- to low ppb levels. Linear regression models that included the log transformed mean ozone concentration, percent occupancy and plane type were statistically significant and explained between 18 and 25% of the variance in the mixing ratio of these carbonyls. Occupancy was also a significant factor for 6-MHO, but not the linear aldehydes, consistent with 6-MHO’s formation from the reaction between ozone and squalene, which is present in human skin oils. PMID:23517299

Investigation on the light alkanes aromatization over Zn and Ga modified HZSM-5 catalysts in the presence of methane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Qingyin; Zhang, Fengqi; Jarvis, Jack

The catalytic co-aromatization of methane and paraffin-rich raffinate oil was investigated along with hexane, heptane and octane as its model compounds over zinc and gallium modified ZSM-5 zeolite catalysts. The benzene, toluene and xylene (BTX) components derived from light alkane aromatization were highly promoted with the assistance of methane. The co-existence of Zn and Ga metal species has a positive effect on the formation of BTX components, whereas the individual metal loaded catalyst resulted in the production of heavy aromatics, suggesting that zinc and gallium have a synergistic effect on the formation of BTX under the methane environment. When concernedmore » with gaseous analysis, the introduced methane might interact with smaller intermediates and then transform into larger hydrocarbons. From the DRIFT observation, it was witnessed that the interaction between light alkane and methane occurred on the surface of the charged Zn-Ga/ZSM-5 catalyst. According to the comprehensive catalyst characterizations, the excellent catalytic performance may be closely associated with greatly dispersed metal species on the zeolite support, improved microporous characteristic, moderate Bronsted and increased Lewis acidic sites during the paraffin-rich liquid feedstock aromatization under methane environment. This research provides a promising pathway for the highly effective and profitable utilization of petrochemical resources and natural gas.« less

In Situ Monitoring and Modeling of the Solution-Mediated Polymorphic Transformation of Rifampicin: From Form II to Form I.

PubMed

Guo, Nannan; Hou, Baohong; Wang, Na; Xiao, Yan; Huang, Jingjing; Guo, Yanmei; Zong, Shuyi; Hao, Hongxun

2018-01-01

In this article, the solution-mediated polymorphic transformation of rifampicin was investigated and simulated in 3 solvents at 30°C. The solid-state form I and form II of rifampicin was characterized by powder X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, Raman spectroscopy, and Fourier transform infrared spectroscopy (FTIR). To explore the relative stability, solubility data of form I and form II of rifampicin in butan-1-ol were determined using a dynamical method. In addition, Raman spectroscopy and focused beam reflectance measurement were used to in situ monitor the transformation of rifampicin from form II to form I. The liquid state concentration of rifampicin was measured by UV spectroscopic method. To investigate the effect of solvent on transformation, the transformation experiments were carried out in 3 solvents. Furthermore, a mathematical model was built to describe the kinetics of dissolution, nucleation, and growth processes during transformation by using experimental data. By combination of experimental and simulation results, it was found that the transformation process of rifampicin is controlled by dissolution of form II in heptane, whereas the transformation in hexane and octane was firstly controlled by dissolution of solid-state form and then controlled by growth of form I. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Cool-flame Extinction During N-Alkane Droplet Combustion in Microgravity

NASA Technical Reports Server (NTRS)

Nayagam, Vedha; Dietrich, Daniel L.; Hicks, Michael C.; Williams, Forman A.

2014-01-01

Recent droplet combustion experiments onboard the International Space Station (ISS) have revealed that large n-alkane droplets can continue to burn quasi-steadily following radiative extinction in a low-temperature regime, characterized by negative-temperaturecoefficient (NTC) chemistry. In this study we report experimental observations of n-heptane, n-octane, and n-decane droplets of varying initial sizes burning in oxygen/nitrogen/carbon dioxide and oxygen/helium/nitrogen environments at 1.0, 0.7, and 0.5 atmospheric pressures. The oxygen concentration in these tests varied in the range of 14% to 25% by volume. Large n-alkane droplets exhibited quasi-steady low-temperature burning and extinction following radiative extinction of the visible flame while smaller droplets burned to completion or disruptively extinguished. A vapor-cloud formed in most cases slightly prior to or following the "cool flame" extinction. Results for droplet burning rates in both the hot-flame and cool-flame regimes as well as droplet extinction diameters at the end of each stage are presented. Time histories of radiant emission from the droplet captured using broadband radiometers are also presented. Remarkably the "cool flame" extinction diameters for all the three n-alkanes follow a trend reminiscent of the ignition delay times observed in previous studies. The similarities and differences among the n-alkanes during "cool flame" combustion are discussed using simplified theoretical models of the phenomenon

Determination of thermodynamic properties of poly (cyclohexyl methacrylate) by inverse gas chromatography.

PubMed

Kaya, Ismet; Pala, Cigdem Yigit

2014-07-01

In this work, some thermodynamic properties of poly (cyclohexyl methacrylate) were studied by inverse gas chromatography (IGC). For this purpose, the polymeric substance was coated on Chromosorb W and which was filled into a glass column. The retention times (t(r)) of the probes were determined from the interactions of poly (cyclohexyl methacrylate) with n-pentane, n-hexane, n-heptane, n-octane, n-decane, methanol, ethanol, 2-propanol, butanol, acetone, ethyl methyl ketone, benzene, toluene and o-xylene by IGC technique. Then, the specific volume (Vg(0)) was determined for each probe molecule. By using (1/T; lnVg(0)) graphics, the glass transition temperature of poly (cyclohexyl methacrylate) was found to be 373 K. The adsorption heat under the glass transition temperature (deltaH(a)), and partial molar heat of sorption above the glass transition (deltaH1(S)), partial molar free energy of sorption (deltaG1(S)) and partial molar entropy of sorption (deltaS1(S)) belonging to sorption for every probe were calculated. The partial molar heat of mixing at infinite dilution (deltaH1(infinity)), partial molar free energy of mixing at infinite dilution (deltaG1(infinity)), Flory-Huggins interaction parameter (chi12(infinity)) and weight fraction activity coefficient (a1/w1)(infinity) values of polymer-solute systems were calculated at different column temperatures. The solubility parameters (delta2) of the polymer were obtained by IGC technique.

Application of extracellular lipopeptide biosurfactant produced by endophytic Bacillus subtilis K1 isolated from aerial roots of banyan (Ficus benghalensis) in microbially enhanced oil recovery (MEOR).

PubMed

Pathak, Khyati V; Keharia, Hareshkumar

2014-02-01

Bacillus subtilis K1 isolated from aerial roots of banyan tree secreted mixture of surfactins, iturins and fengycins with high degree of heterogeneity. The extracellular extract consisting of mixture of these cyclic lipopeptides exhibited very good emulsification activity as well as excellent emulsion stability. The culture accumulated maximum surfactant up to 48 h of growth during batch fermentation in Luria broth. The emulsion of hexane, heptane and octane prepared using 48-h-old culture supernatant of B. subtilis K1 remained stable up to 2 days while emulsion of four stroke engine oil remained stable for more than a year. The critical micelle concentration of crude lipopeptide biosurfactant extracted by acid precipitation from 48-h-old fermentation broth of B. subtilis K1 was found to be 20.5 μg/mL. The biosurfactant activity was found to be stable at 100 °C for 2 h, over a pH range of 6-12 h and over an NaCl concentration up to 10 % (w/v). The application of biosurfactant on laboratory scale sand pack column saturated with four stroke engine oil resulted in ~43 % enhanced oil recovery, suggesting its suitability in microbially enhanced oil recovery.

Investigation on the light alkanes aromatization over Zn and Ga modified HZSM-5 catalysts in the presence of methane

DOE PAGES

Li, Qingyin; Zhang, Fengqi; Jarvis, Jack; ...

2018-03-16

The catalytic co-aromatization of methane and paraffin-rich raffinate oil was investigated along with hexane, heptane and octane as its model compounds over zinc and gallium modified ZSM-5 zeolite catalysts. The benzene, toluene and xylene (BTX) components derived from light alkane aromatization were highly promoted with the assistance of methane. The co-existence of Zn and Ga metal species has a positive effect on the formation of BTX components, whereas the individual metal loaded catalyst resulted in the production of heavy aromatics, suggesting that zinc and gallium have a synergistic effect on the formation of BTX under the methane environment. When concernedmore » with gaseous analysis, the introduced methane might interact with smaller intermediates and then transform into larger hydrocarbons. From the DRIFT observation, it was witnessed that the interaction between light alkane and methane occurred on the surface of the charged Zn-Ga/ZSM-5 catalyst. According to the comprehensive catalyst characterizations, the excellent catalytic performance may be closely associated with greatly dispersed metal species on the zeolite support, improved microporous characteristic, moderate Bronsted and increased Lewis acidic sites during the paraffin-rich liquid feedstock aromatization under methane environment. This research provides a promising pathway for the highly effective and profitable utilization of petrochemical resources and natural gas.« less

Refining economics of U.S. gasoline: octane ratings and ethanol content.

PubMed

Hirshfeld, David S; Kolb, Jeffrey A; Anderson, James E; Studzinski, William; Frusti, James

2014-10-07

Increasing the octane rating of the U.S. gasoline pool (currently ∼ 93 Research Octane Number (RON)) would enable higher engine efficiency for light-duty vehicles (e.g., through higher compression ratio), facilitating compliance with federal fuel economy and greenhouse gas (GHG) emissions standards. The federal Renewable Fuels Standard calls for increased renewable fuel use in U.S. gasoline, primarily ethanol, a high-octane gasoline component. Linear programming modeling of the U.S. refining sector was used to assess the effects on refining economics, CO2 emissions, and crude oil use of increasing average octane rating by increasing (i) the octane rating of refinery-produced hydrocarbon blendstocks for oxygenate blending (BOBs) and (ii) the volume fraction (Exx) of ethanol in finished gasoline. The analysis indicated the refining sector could produce BOBs yielding finished E20 and E30 gasolines with higher octane ratings at modest additional refining cost, for example, ∼ 1¢/gal for 95-RON E20 or 97-RON E30, and 3-5¢/gal for 95-RON E10, 98-RON E20, or 100-RON E30. Reduced BOB volume (from displacement by ethanol) and lower BOB octane could (i) lower refinery CO2 emissions (e.g., ∼ 3% for 98-RON E20, ∼ 10% for 100-RON E30) and (ii) reduce crude oil use (e.g., ∼ 3% for 98-RON E20, ∼ 8% for 100-RON E30).

40 CFR 721.4461 - Hydrofluoric acid, reaction products with octane (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Hydrofluoric acid, reaction products... New Uses for Specific Chemical Substances § 721.4461 Hydrofluoric acid, reaction products with octane... identified generically as a hydrofluoric acid, reaction products with octane (PMN P-99-0052) is subject to...

40 CFR 721.4461 - Hydrofluoric acid, reaction products with octane (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Hydrofluoric acid, reaction products... New Uses for Specific Chemical Substances § 721.4461 Hydrofluoric acid, reaction products with octane... identified generically as a hydrofluoric acid, reaction products with octane (PMN P-99-0052) is subject to...

Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basicmore » structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.« less

Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

DOE PAGES

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.; ...

2016-07-11

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basicmore » structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.« less

Rotator Phases of n-Heptane under High Pressure: Raman Scattering and X-ray Diffraction Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

C Ma; Q Zhou; F Li

2011-12-31

We performed high-pressure Raman scattering and angle-dispersive synchrotron X-ray diffraction measurements on n-heptane at room temperature. It has been found that n-heptane undergoes a liquid to rotator phase III (R{sub III}) transition at 1.2 GPa and then transforms into another rotator phase R{sub IV} at about 3 GPa. As the pressure reaches 7.5 GPa, a transition from an orientationally disordered R{sub IV} phase to an ordered crystalline state starts and is completed around 14.5 GPa. Our results clearly present the high-pressure phase transition sequence (liquid-R{sub III}-R{sub IV}-crystal) of n-heptane, similar to that of normal alkanes.

Use of limonene in countercurrent chromatography: a green alkane substitute.

PubMed

Faure, Karine; Bouju, Elodie; Suchet, Pauline; Berthod, Alain

2013-05-07

Counter-current chromatography (CCC) is a preparative separation technique working with the two liquid phases of a biphasic liquid system. One phase is used as the mobile phase when the other, the stationary phase, is held in place by centrifugal fields. Limonene is a biorenewable cycloterpene solvent coming from orange peel waste. It was evaluated as a possible substitute for heptane in CCC separations. The limonene/methanol/water and heptane/methanol/water phase diagrams are very similar at room temperature. The double bonds of the limonene molecule allows for possible π-π interactions with solutes rendering limonene slightly more polar than heptane giving small differences in solute partition coefficients in the two systems. The 24% higher limonene density is a difference with heptane that has major consequences in CCC. The polar and apolar phases of the limonene/methanol/water 10/9/1 v/v have -0.025 g/cm(3) density difference (lower limonene phase) compared to +0.132 g/cm(3) with heptane (upper heptane phase). This precludes the use of this limonene system with hydrodynamic CCC columns that need significant density difference to retain a liquid stationary phase. It is an advantage with hydrostatic CCC columns because density difference is related to the working pressure drop: limonene allows one to work with high centrifugal fields and moderate pressure drop. Limonene has the capability to be a "green" alternative to petroleum-based solvents in CCC applications.

NREL-Led Effort Results in Groundbreaking New ASTM High-Octane Fuel

Science.gov Websites

Standard | News | NREL NREL-Led Effort Results in Groundbreaking New ASTM High-Octane Fuel Standard NREL-Led Effort Results in Groundbreaking New ASTM High-Octane Fuel Standard April 7, 2017 NREL . Photo by Dennis Schroeder, NREL 20114. ASTM International recently announced the release of a new high

40 CFR 86.113-94 - Fuel specifications.

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for.... Value Octane, Research, Min D2699 93 Sensitivity, Min 7.5 Lead (organic): g/U.S. gal. (g/liter) D3237 1... accumulation. (ii) The octane rating of the gasoline used shall be no higher than 1.0 Research octane number...

Effects of High Octane Ethanol Blends on Four Legacy Flex-Fuel Vehicles, and a Turbocharged GDI Vehicle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas, John F; West, Brian H; Huff, Shean P

The U.S. Department of Energy (DOE) is supporting engine and vehicle research to investigate the potential of high-octane fuels to improve fuel economy. Ethanol has very high research octane number (RON) and heat of vaporization (HoV), properties that make it an excellent spark ignition engine fuel. The prospects of increasing both the ethanol content and the octane number of the gasoline pool has the potential to enable improved fuel economy in future vehicles with downsized, downsped engines. This report describes a small study to explore the potential performance benefits of high octane ethanol blends in the legacy fleet. There aremore » over 17 million flex-fuel vehicles (FFVs) on the road today in the United States, vehicles capable of using any fuel from E0 to E85. If a future high-octane blend for dedicated vehicles is on the horizon, the nation is faced with the classic chicken-and-egg dilemma. If today’s FFVs can see a performance advantage with a high octane ethanol blend such as E25 or E30, then perhaps consumer demand for this fuel can serve as a bridge to future dedicated vehicles. Experiments were performed with four FFVs using a 10% ethanol fuel (E10) with 88 pump octane, and a market gasoline blended with ethanol to make a 30% by volume ethanol fuel (E30) with 94 pump octane. The research octane numbers were 92.4 for the E10 fuel and 100.7 for the E30 fuel. Two vehicles had gasoline direct injected (GDI) engines, and two featured port fuel injection (PFI). Significant wide open throttle (WOT) performance improvements were measured for three of the four FFVs, with one vehicle showing no change. Additionally, a conventional (non-FFV) vehicle with a small turbocharged direct-injected engine was tested with a regular grade of gasoline with no ethanol (E0) and a splash blend of this same fuel with 15% ethanol by volume (E15). RON was increased from 90.7 for the E0 to 97.8 for the E15 blend. Significant wide open throttle and thermal efficiency performance improvement was measured for this vehicle, which achieved near volumetric fuel economy parity on the aggressive US06 drive cycle, demonstrating the potential for improved fuel economy in forthcoming downsized, downsped engines with high-octane fuels.« less

An evaporative and engine-cycle model for fuel octane sensitivity prediction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moran, D.P.; Taylor, A.B.

The Motor Octane Number (MON) ranks fuels by their chemical resistance to knock. Evaporative cooling coupled with fuel chemistry determine Research Octane Number (RON) antiknock ratings. It is shown in this study that fuel Octane sensitivity (numerically RON minus MON) is liked to an important difference between the two test methods; the RON test allows each fuel`s evaporative cooling characteristics to affect gas temperature, while the MON test generally eliminates this effect by pre-evaporation. In order to establish RON test charge temperatures, a computer model of fuel evaporation was adapted to Octane Engine conditions, and simulations were compared with realmore » Octane Test Engine measurements including droplet and gas temperatures. A novel gas temperature probe yielded data that corresponded well with model predictions. Tests spanned single component fuels and blends of isomers, n-paraffins, aromatics and alcohols. Commercially available automotive and aviation gasolines were also tested. A good correlation was observed between the computer predictions and measured temperature data across the range of pure fuels and blends. A numerical method to estimate the effect of precombustion temperature differences on Octane sensitivity was developed and applied to analyze these data, and was found to predict the widely disparate sensitivities of the tested fuels with accuracy. Data are presented showing mixture temperature histories of various tested fuels, and consequent sensitivity predictions. It is concluded that a fuel`s thermal-evaporative behavior gives rise to fuel Octane sensitivity as measured by differences between the RON and MON tests. This is demonstrated by the success, over a wide range of fuels, of the sensitivity predictor method describes. Evaporative cooling, must therefore be regarded as an important parameter affecting the general road performance of automobiles.« less

Temperature dependence of the positronium yields in polar and nonpolar pure liquids; an experimental test of a phenomenological model

NASA Astrophysics Data System (ADS)

Lévay, B.

2004-08-01

A phenomenological model describing the temperature dependence of the positronium yields ( IPs, %) was tested in pure liquids of different polarity. The investigated solvents were: m-xylene (m-Xy) and iso-octane (i-C8) as aromatic and aliphatic nonpolar hydrocarbons, methanol (MeOH), water and dimethyl formamide as polar solvents with and without OH group. Arrhenius type linear relationship predicted by the model for the ln Q vs 1/ T function, where Q=(100/ IPs-1), was found to be valid in all cases. The slopes of the lines correspond to the activation energy differences (Δ E*= Erec- EPs) between the two main competing reaction pathways in the positron spur, i.e., solvent recombination (e - + M +) and positronium formation (e - + e +). The slopes were positive, i.e., Δ E*<0 and Erec< EPs. For polar liquids, correlation seems to exists between Δ E* and the electron mobility ( μ) or the activation energy of the viscosity ( Eη).

Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.

PubMed

Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel

2015-07-07

The base-catalyzed reaction of achiral 1,3-cyclopentanediones tethered to activated olefins afforded in high yields bicyclo[3.2.1]octane-6,8-dione or bicyclo[3.2.1]octane-6-carboxylate derivatives bearing respectively three or five stereogenic centers. The course of the reaction is closely related to the reaction time and to the base involved in the reaction.

Method for determining the octane rating of gasoline samples by observing corresponding acoustic resonances therein

DOEpatents

Sinha, Dipen N.; Anthony, Brian W.

1997-01-01

A method for determining the octane rating of gasoline samples by observing corresponding acoustic resonances therein. A direct correlation between the octane rating of gasoline and the frequency of corresponding acoustic resonances therein has been experimentally observed. Therefore, the octane rating of a gasoline sample can be directly determined through speed of sound measurements instead of by the cumbersome process of quantifying the knocking quality of the gasoline. Various receptacle geometries and construction materials may be employed. Moreover, it is anticipated that the measurements can be performed on flowing samples in pipes, thereby rendering the present method useful in refineries and distilleries.

Free fall and evaporation of N-Octane droplets in the atmosphere as applied to the jettisoning of aviation gasoline at altitude

NASA Technical Reports Server (NTRS)

Lowell, Herman H

1953-01-01

In connection with proposed rapid jettisoning of aviation gasoline at altitude, a theoretical study was made of the free fall and evaporation of N-octane droplets in the atmosphere ; N-octane was selected for study because of the expected similarity of over-all evaporation behavior of N-octane and gasoline. It was concluded that gasoline (or N-octane) droplets larger than 2000 microns in diameter would be unstable ; terminal speeds and Reynolds numbers were obtained for droplets not larger than 2000 microns at altitudes to 11,000 feet. The motion data were used in the calculation of N-octane evaporation rates under various conditions. It was found that a droplet having an original diameter of 2000 microns would fall about 4000 feet from 6000 feet under NACA standard atmosphere conditions before coming virtually to rest. Finally, it was concluded that temperature effects are of paramount importance; at highest air temperatures a 1000-foot ground clearance would probably be adequate to prevent ground contamination, whereas at lowest air temperatures only an atomizing spray arrangement would prevent ground contamination, irrespective of ground clearance.

On the effect of injection timing on the ignition of lean PRF/air/EGR mixtures under direct dual fuel stratification conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luong, Minh Bau; Sankaran, Ramanan; Yu, Gwang Hyeon

2017-06-09

The ignition characteristics of lean primary reference fuel (PRF)/air/exhaust gas recirculation (EGR) mixture under reactivity-controlled compression ignition (RCCI) and direct duel fuel stratification (DDFS) conditions are investigated in this paper by 2-D direct numerical simulations (DNSs) with a 116-species reduced chemistry of the PRF oxidation. The 2-D DNSs of the DDFS combustion are performed by varying the injection timing of iso-octane (i-C 8H 18) with a pseudo-iso-octane (PC 8H 18) model together with a novel compression heating model to account for the compression heating and expansion cooling effects of the piston motion in an engine cylinder. The PC 8H 18more » model is newly developed to mimic the timing, duration, and cooling effects of the direct injection of i-C 8H 18 onto a premixed background charge of PRF/air/EGR mixture with composition inhomogeneities. It is found that the RCCI combustion exhibits a very high peak heat release rate (HRR) with a short combustion duration due to the predominance of the spontaneous ignition mode of combustion. However, the DDFS combustion has much lower peak HRR and longer combustion duration regardless of the fuel injection timing compared to those of the RCCI combustion, which is primarily attributed to the sequential injection of i-C 8H 18. It is also found that the ignition delay of the DDFS combustion features a non-monotonic behavior with increasing fuel-injection timing due to the different effect of fuel evaporation on the low-, intermediate-, and high-temperature chemistry of the PRF oxidation. The budget and Damköhler number analyses verify that although a mixed combustion mode of deflagration and spontaneous ignition exists during the early phase of the DDFS combustion, the spontaneous ignition becomes predominant during the main combustion, and hence, the spread-out of heat release rate in the DDFS combustion is mainly governed by the direct injection process of i-C 8H 18. Finally, a misfire is observed for the DDFS combustion when the direct injection of i-C 8H 18 occurs during the intermediate-temperature chemistry (ITC) regime between the first- and second-stage ignition. Finally, this is because the temperature drop induced by the direct injection of i-C 8H 18 impedes the main ITC reactions, and hence, the main combustion fails to occur.« less

Volatile organic compounds in exhaled breath in a healthy population: effect of tobacco smoking.

PubMed

Jareño-Esteban, José Javier; Muñoz-Lucas, M Ángeles; Carrillo-Aranda, Belén; Maldonado-Sanz, José Ángel; de Granda-Orive, Ignacio; Aguilar-Ros, Antonio; Civera-Tejuca, Concepción; Gutiérrez-Ortega, Carlos; Callol-Sánchez, Luis Miguel

2013-11-01

Tobacco smoke is a source of free radicals and reactive oxygen and nitrogen species, which are the main causes of oxidative stress. The analysis of volatile organic compounds (VOC) in exhaled breath is an indirect method of measuring the level of oxidative stress that occurs in the airways caused by tobacco consumption. The aim of this study was to determine whether smoking influences the production of VOC, in a clinically healthy population. Exhaled breath from 89 healthy volunteers, divided into three groups (non-smokers, ex-smokers and smokers) was analysed. Samples were collected using Bio-VOC® devices and transferred to universal desorption tubes. Chemical compounds were analysed by thermal desorption, gas chromatography and mass spectrometry. We analysed hexanal, heptanal, octanal, nonanal, nonanoic acid and propanoic acid, all identified by retention time and mass spectra referenced in the NIST 08 mass spectral library; confirmation was carried out using reference standards of the pure chemical compound. These VOC were found in very low concentrations. Only nonanal showed significant quantitative and qualitative statistical differences among the study groups. Nonanal concentration is dependent on smoking, but is independent of the amount of tobacco consumed, age and gender. Nonanal in exhaled breath is associated with tobacco consumption, current or previous. Nonanal is a sub-product of the destruction of the cell membrane, and its finding may be indicative of cell damage in smokers. This result appears in many farmers who smoke. Copyright © 2013 SEPAR. Published by Elsevier Espana. All rights reserved.

Entry into and Release of Solvents by Escherichia coli in an Organic-Aqueous Two-Liquid-Phase System and Substrate Specificity of the AcrAB-TolC Solvent-Extruding Pump

PubMed Central

Tsukagoshi, Norihiko; Aono, Rikizo

2000-01-01

Growth of Escherichia coli is inhibited upon exposure to a large volume of a harmful solvent, and there is an inverse correlation between the degree of inhibition and the log POW of the solvent, where POW is the partition coefficient measured for the partition equilibrium established between the n-octanol and water phases. The AcrAB-TolC efflux pump system is involved in maintaining intrinsic solvent resistance. We inspected the solvent resistance of ΔacrAB and/or ΔtolC mutants in the presence of a large volume of solvent. Both mutants were hypersensitive to weakly harmful solvents, such as nonane (log POW = 5.5). The ΔtolC mutant was more sensitive to nonane than the ΔacrAB mutant. The solvent entered the E. coli cells rapidly. Entry of solvents with a log POW higher than 4.4 was retarded in the parent cells, and the intracellular levels of these solvents were maintained at low levels. The ΔtolC mutant accumulated n-nonane or decane (log POW = 6.0) more abundantly than the parent or the ΔacrAB mutant. The AcrAB-TolC complex likely extrudes solvents with a log POW in the range of 3.4 to 6.0 through a first-order reaction. The most favorable substrates for the efflux system were considered to be octane, heptane, and n-hexane. PMID:10940021

Characterization of the surface tension and solubility parameter of epoxy resin by using inverse gas chromatography.

PubMed

Shi, Fenghui; Dai, Zhishuang; Zhang, Baoyan

2010-07-01

Inverse gas chromatography (IGC) was used to measure the surface tension and solubility parameter of E51 epoxy resin in this work. By using the Schultz method, decane, nonane, octane and heptane were chosen as the neutral probes to calculate the dispersive surface tensions (gamma(D)). Based on the Good-van Oss equation, the specific surface tension (gamma(SP)) of E51 epoxy resin was calculated with the acidic probe of dichloromethane and the basic probe of toluene. The results showed that the gamma(D) and gamma(SP) of the E51 resin decreased linearly with the increase of temperature. According to the Flory-Huggins parameters (chi) between the resin and a series of probes, the solubility parameters (delta) of E51 resin at different temperatures were estimated using the method developed by DiPaola-Baranyi and Guillet. It was found that the values of delta of the E51 resin were 11.78, 11.57, 11.48 and 11.14 MPa1/2 at 30, 40, 50 and 60 degrees C, respectively. The dispersive component (delta(D)) and the specific component (delta(SP)) of solubility parameter at different temperatures of the E51 resin were investigated according to the relationships between surface tension, cohesion energy and solubility parameter. The results showed that the values of delta(D) were higher than those of delta(SP) for the epoxy resin, and both of them decreased with the increase of temperature.

Identification of odor volatile compounds and deodorization of Paphia undulata enzymatic hydrolysate

NASA Astrophysics Data System (ADS)

Chen, Deke; Chen, Xin; Chen, Hua; Cai, Bingna; Wan, Peng; Zhu, Xiaolian; Sun, Han; Sun, Huili; Pan, Jianyu

2016-12-01

Unfavorable fishy odour is an inevitable problem in aquatic products. In the present study, headspace solid-phase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS) analysis of volatiles from untreated samples and three deodorized samples (under the optimal conditions) of Paphia undulata enzymatic hydrolysate revealed that the compounds contributing to the distinctive odor were 1-octen-3-ol, n-hexanal, n-heptanal, 2,4-heptadienal, and 2,4-decadienal, whereas n-pentanal, n-octanal, n-octanol, benzaldehyde, 2-ethylfuran and 2-pentylfuran were the main contributors to the aromatic flavor. The deodorizing effects of activated carbon (AC) adsorption, yeast extract (YE) masking and tea polyphenol (TP) treatment on a P. undulata enzymatic hydrolysate were investigated using orthogonal experiments with sensory evaluation as the index. The following optimized deodorization conditions were obtained: AC adsorption (35 mg mL-1, 80°C, 40 min), YE masking (7 mg mL-1, 45°C, 30 min) and TP treatment (0.4 mg mL-1, 40°C, 50 min). AC adsorption effectively removed off-flavor volatile aldehydes and ketones. YE masking modified the odor profile by increasing the relative contents of aromatic compounds and decreasing the relative contents of aldehydes and ketones. The TP treatment was not effective in reducing the odor score, but it significantly reduced the relative content of aldehydes while increasing that of alkanes. It is also notable that TP effectively suppressed trimethylamine (TMA) formation in a P. undulate hydrolysate solution for a period of 72 h.

Method for determining the octane rating of gasoline samples by observing corresponding acoustic resonances therein

DOEpatents

Sinha, D.N.; Anthony, B.W.

1997-02-25

A method is described for determining the octane rating of gasoline samples by observing corresponding acoustic resonances therein. A direct correlation between the octane rating of gasoline and the frequency of corresponding acoustic resonances therein has been experimentally observed. Therefore, the octane rating of a gasoline sample can be directly determined through speed of sound measurements instead of by the cumbersome process of quantifying the knocking quality of the gasoline. Various receptacle geometries and construction materials may be employed. Moreover, it is anticipated that the measurements can be performed on flowing samples in pipes, thereby rendering the present method useful in refineries and distilleries. 3 figs.

The Science of Emissions from Alternative Fuels

DTIC Science & Technology

2017-03-01

7.1.1 m-xylene/ n -dodecane, JP-8 and Sasol Fuels ........................................................................... 175 7.1.2 Heptane/Dodecane...Experiments ........................................................................................... 179 7.1.3 Methylcyclohexane/ n -Dodecane...Emissions ........................................................................................ 290 11.4.1 Chemical Properties with n -Heptane/ n

Effects of solvent composition in the normal-phase liquid chromatography of alkylphenols and naphthols

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurtubise, R.J.; Hussain, A.; Silver, H.F.

1981-11-01

The normal-phase liquid chromatographic models of Scott, Snyder, and Soczewinski were considered for a ..mu..-Bondapak NH/sub 2/ stationary phase. n-Heptane:2-propanol and n-heptane:ethyl acetate mobile phases of different compositions were used. Linear relationships were obtained from graphs of log K' vs. log mole fraction of the strong solvent for both n-heptane:2-propanol and n-heptane:ethyl acetate mobile phases. A linear relationship was obtained between the reciprocal of corrected retention volume and % wt/v of 2-propanol but not between the reciprocal of corrected retention volume and % wt/v of ethyl acetate. The slopes and intercept terms from the Snyder and Soczewinski models were foundmore » to approximately describe interactions with ..mu..-Bondapak NH/sub 2/. Capacity factors can be predicted for the compounds by using the equations obtained from mobile phase composition variation experiments.« less

Kinetics of acyl transfer reactions in organic media catalysed by Candida antarctica lipase B.

PubMed

Martinelle, M; Hult, K

1995-09-06

The acyl transfer reactions catalysed by Candida antartica lipase B in organic media followed a bi-bi ping-pong mechanism, with competitive substrate inhibition by the alcohols used as acyl acceptors. The effect of organic solvents on Vm and Km was investigated. The Vm values in acetonitrile was 40-50% of those in heptane. High Km values in acetonitrile compared to those in heptane could partly be explained by an increased solvation of the substrates in acetonitrile. Substrate solvation caused a 10-fold change in substrate specificity, defined as (Vm/Km)ethyl octanoate/(Vm/Km)octanoic acid, going from heptane to acetonitrile. Deacylation was the rate determining step for the acyl transfer in heptane with vinyl- and ethyl octanoate as acyl donors and (R)-2-octanol as acyl acceptor. With 1-octanol, a rate determining deacylation step in heptane was indicated using the same acyl donors. Using 1-octanol as acceptor in heptane, S-ethyl thiooctanoate had a 25- to 30-fold lower Vm/Km value and vinyl octanoate a 4-fold higher Vm/Km value than that for ethyl octanoate. The difference showed to be a Km effect for vinyl octanoate and mainly a Km effect for S-ethyl thiooctanoate. The Vm values of the esterification of octanoic acid with different alcohols was 10-30-times lower than those for the corresponding transesterification of ethyl octanoate. The low activity could be explained by a low pH around the enzyme caused by the acid or a withdrawing of active enzyme by nonproductive binding by the acid.

n-Heptane

Integrated Risk Information System (IRIS)

n - Heptane ; CASRN 142 - 82 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effec

Fiber Supported Droplet Combustion-2 (FSDC-2)

NASA Technical Reports Server (NTRS)

Colantonio, Renato; Dietrich, Daniel; Haggard, John B., Jr.; Nayagan, Vedha; Dryer, Frederick L.; Shaw, Benjamin D.; Williams, Forman A.

1998-01-01

Experimental results for the burning characteristics of fiber supported, liquid droplets in ambient Shuttle cabin air (21% oxygen, 1 bar pressure) were obtained from the Glove Box Facility aboard the STS-94/MSL-1 mission using the Fiber Supported Droplet Combustion - 2 (FSDC-2) apparatus. The combustion of individual droplets of methanol/water mixtures, ethanol, ethanol/water azeotrope, n-heptane, n-decane, and n-heptane/n-hexadecane mixtures were studied in quiescent air. The effects of low velocity, laminar gas phase forced convection on the combustion of individual droplets of n-heptane and n-decane were investigated and interactions of two droplet-arrays of n-heptane and n-decane droplets were also studied with and without gas phase convective flow. Initial diameters ranging from about 2mm to over 6mm were burned on 80-100 micron silicon fibers. In addition to phenomenological observations, quantitative data were obtained in the form of backlit images of the burning droplets, overall flame images, and radiometric combustion emission measurements as a function of the burning time in each experiment. In all, 124 of the 129 attempted experiments (or about twice the number of experiments originally planned for the STS-94/MSL-1 mission) were conducted successfully. The experimental results contribute new observations on the combustion properties of pure alkanes, binary alkane mixtures, and simple alcohols for droplet sizes not studied previously, including measurements on individual droplets and two-droplet arrays, inclusive of the effects of forced gas phase convection. New phenomena characterized experimentally for the first time include radiative extinction of droplet burning for alkanes and the "twin effect" which occurs as a result of interactions during the combustion of two-droplet arrays. Numerical modeling of isolated droplet combustion phenomenon has been conducted for methanol/water mixtures, n-heptane, and n-heptane/n-hexadecane mixtures, and results compare quantitatively with those found experimentally for methanol/water mixtures. Initial computational results qualitatively predict experimental results obtained for isolated n-heptane and n-heptane/n-hexadecane droplet combustion, although the effects of sooting are not yet included in the modeling work. Numerical modeling of ethanol and ethanol/water droplet burning is under development. Considerable data remain to be fully analyzed and will provide a large database for comparisons with further numerical and analytical modeling and development of future free droplet experiments aboard space platforms.

Computational Analysis of Spray Jet Flames

NASA Astrophysics Data System (ADS)

Jain, Utsav

There is a boost in the utilization of renewable sources of energy but because of high energy density applications, combustion will never be obsolete. Spray combustion is a type of multiphase combustion which has tremendous engineering applications in different fields, varying from energy conversion devices to rocket propulsion system. Developing accurate computational models for turbulent spray combustion is vital for improving the design of combustors and making them energy efficient. Flamelet models have been extensively used for gas phase combustion because of their relatively low computational cost to model the turbulence-chemistry interaction using a low dimensional manifold approach. This framework is designed for gas phase non-premixed combustion and its implementation is not very straight forward for multiphase and multi-regime combustion such as spray combustion. This is because of the use of a conserved scalar and various flamelet related assumptions. Mixture fraction has been popularly employed as a conserved scalar and hence used to parameterize the characteristics of gaseous flamelets. However, for spray combustion, the mixture fraction is not monotonic and does not give a unique mapping in order to parameterize the structure of spray flames. In order to develop a flamelet type model for spray flames, a new variable called the mixing variable is introduced which acts as an ideal conserved scalar and takes into account the convection and evaporation of fuel droplets. In addition to the conserved scalar, it has been observed that though gaseous flamelets can be characterized by the conserved scalar and its dissipation, this might not be true for spray flamelets. Droplet dynamics has a significant influence on the spray flamelet and because of effects such as flame penetration of droplets and oscillation of droplets across the stagnation plane, it becomes important to accommodate their influence in the flamelet formulation. In order to recognize the droplet parameters needed, a rigorous parametric study is conducted for five different parameters in both physical as well as mixing variable space. The parametric study is conducted for a counterflow setup with n-heptane and inert nitrogen on the fuel side and oxygen with inert nitrogen on the oxidizer side. The computational setup (the temperature and velocity field) is validated against the experimental data from the Yale heptane counterflow flame. The five parameters that are investigated are: aerodynamic strain rate, initial droplet diameter, number of fuel droplets, droplet velocity slip ratio and pre-vaporization ratio. It is not the first time such a study has been accomplished but not a lot of research has been done for heavier fuels such as n-heptane (a very crucial reference fuel for the octane ratings in various applications). Also parameters such as droplet slip ratio and pre-vaporization ratio have not been prudently studied in the past. It is observed that though the slip ratio is not very significant in spray flamelet characterization, the pre-vaporization ratio is important to study and has an interesting influence on spray flamelet structure. In future, based on the current parametric study, the laminar spray flamelet library can be generated which will eventually be integrated to predict turbulent spray flames.

Experimental study of mass diffusion coefficients of hydrogen in dimethyl phosphate and n-heptane

NASA Astrophysics Data System (ADS)

Guo, Y.; Zhu, L. K.; Zhang, Y. P.; Liu, J.; Guo, J. S.

2017-11-01

In this study, a laser holographic interferometer experimental system was developed for studying the gas-liquid mass diffusion coefficient. Then the experimental system’s uncertainty was analyzed to be at most ±0.2% therefore, this system was reliable. The mass diffusion coefficient of hydrogen in dimethyl phosphate and n-heptane was measured at atmospheric pressure in the temperature range of 273.15-338.15 K. Then, the experimental data were used to fit the correlations of the mass diffusion coefficient of hydrogen in dimethyl phosphate and n-heptane with temperature.

Ozone production by a dc corona discharge in air contaminated by n-heptane

NASA Astrophysics Data System (ADS)

Pekárek, S.

2008-01-01

Beneficial purposes of ozone such as elimination of odours, harmful bacteria and mildew can be used for transportation of food, fruits and vegetables with the aim to extend their storage life. To date the main technique used for this purpose in the transportation of these commodities, e.g. by trucks, was cooling. Here a combination of cooling together with the supply of ozone into containers with these commodities is considered. For these purposes we studied the effect of air contamination by n-heptane (part of automotive fuels) and humidity on ozone production by a dc hollow needle to mesh corona discharge. We found that, for both polarities of the needle electrode, addition of n-heptane to air (a) decreases ozone production; (b) causes discharge poisoning to occur at lower current than for air; (c) does not substantially influence the current for which the ozone production reaches the maximum. Finally the maximum ozone production for the discharge in air occurs for the same current as the maximum ozone production for the discharge contaminated by n-heptane. We also found that humidity decreases ozone production from air contaminated by n-heptane irrespective of the polarity of the coronating needle electrode. This dependence is stronger for the discharge with the needle biased positively.

Ex situ treatment of hydrocarbon-contaminated soil using biosurfactants from Lactobacillus pentosus.

PubMed

Moldes, Ana Belén; Paradelo, Remigio; Rubinos, David; Devesa-Rey, Rosa; Cruz, José Manuel; Barral, María Teresa

2011-09-14

The utilization of biosurfactants for the bioremediation of contaminated soil is not yet well established, because of the high production cost of biosurfactants. Consequently, it is interesting to look for new biosurfactants that can be produced at a large scale, and it can be employed for the bioremediation of contaminated sites. In this work, biosurfactants from Lactobacillus pentosus growing in hemicellulosic sugars solutions, with a similar composition of sugars found in trimming vine shoot hydrolysates, were employed in the bioremediation of soil contaminated with octane. It was observed that the presence of biosurfactant from L. pentosus accelerated the biodegradation of octane in soil. After 15 days of treatment, biosurfactants from L. pentosus reduced the concentration of octane in the soil to 58.6 and 62.8%, for soil charged with 700 and 70,000 mg/kg of hydrocarbon, respectively, whereas after 30 days of treatment, 76% of octane in soil was biodegraded in both cases. In the absence of biosurfactant and after 15 days of incubation, only 1.2 and 24% of octane was biodegraded in soil charged with 700 and 70,000 mg/kg of octane, respectively. Thus, the use of biosurfactants from L. pentosus, as part of a well-designed bioremediation process, can provide mechanisms to mobilize the target contaminants from the soil surface to make them more available to the microbial population.

Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.

PubMed

Geiger, H Cristina; Zick, Patricia L; Roberts, William R; Geiger, David K

2017-04-01

The synthesis of a novel benzimidazole derivative with a long-chain-ester substituent, namely methyl 8-[4-(1H-benzimidazol-2-yl)phenoxy]octanoate, (3), is reported. Ester (3) shows evidence of aggregation in solution and weak gelation ability with toluene. The octan-1-ol solvate, methyl 8-[4-(1H-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate, C 22 H 26 N 2 O 3 ·C 8 H 18 O, (4), exhibits a four-molecule hydrogen-bonded motif in the solid state, with N-H...O hydrogen bonds between benzimidazole molecules and O-H...N hydrogen bonds between the octan-1-ol solvent molecules and the benzimidazole unit. The alkyl chains of the ester and the octan-1-ol molecules are in unfolded conformations. The phenylene ring is canted by 10.27 (6)° from the plane of the benzimidazole ring system. H...C contacts make up 20.7% of the Hirshfeld surface coverage. Weak C-H...π interactions involving the benzimidazole alkyl chain and three aromatic rings are observed.

Synthesis and structural and conformational study of some esters derived from 8-β-hydroxy-3-phenethyl-3- azabicyclico [3.2.11] octan-8-α-carboxylic acid

NASA Astrophysics Data System (ADS)

Diez, M.; Izquierdo, M. L.; Arias, M. S.; Galvez, E.; Matesanz, E.; Martinez-Ripoll, M.

1991-09-01

A series of 8-β-hydroxy-8-α-alkoxycarbonyl- N-phenethyl-3-azabicyclo [3.2.1.]octane derivatives have been synthesized and studied by IR, 1H and 13C NMR spectroscopy, and the crystal structure of ethyl-8-β-hydroxy-3-phenethyl-3-azabicyclo [3.2.1] octan-8-α-carboxylate ( Va) has been determined by X-ray diffraction. In deuterochloroform and deuterobenzene the cyclopentane and piperidine rings of the title compounds show an envelope conformation flattened at C8 and a distorted chair conformation puckered at C8 and flattened at N3, respectively, with the N-substituent in an equatorial position. These results are in close agreement with that found for compound Va in the crystalline state. By comparing the NMR and X-ray parameters of the title compounds with those of the corresponding 8-α-hydroxy-8β-alkoxycarbonyl- N-phenethyl-3- azabicyclo [3.2.1] octane epimers and 3-phenethyl-3-azabicyclo [3.2.1] octan-8-α-(andβ)ol, several stereoelectronic effects have been deduced.

Viscosities of nonelectrolyte liquid mixtures. II. Binary and quaternary systems of some n-alkanes

NASA Astrophysics Data System (ADS)

Wakefield, D. L.; Marsh, K. N.; Zwolinski, B. J.

1988-01-01

This paper is the second in a series of viscosity and density studies on multicomponent mixtures of n-alkanes from 303 to 338 K. Reported here are the results of binary mixtures of n-tetracosane + n-octane as well as quaternary mixtures of n-tetracosane + n-octane + n-decane + n-hexane at 318.16, 328.16, and 338.16 K. Viscosities were determined using a standard U-tube Ostwald viscometer, and densities were determined using a flask-type pycnometer. Empirical relations tested include the Grunberg and Nissan equation and the method of corresponding states. In addition, comparisons were made regarding the behavior of this quaternary system and homologous binary mixtures of n-hexadecane + n-octane and n-tetracosane + n-octane at the same temperatures.

Asymmetric orientation of toluene molecules at oil-silica interfaces

NASA Astrophysics Data System (ADS)

Ledyastuti, Mia; Liang, Yunfeng; Kunieda, Makoto; Matsuoka, Toshifumi

2012-08-01

The interfacial structure of heptane and toluene at oil-silica interfaces has previously been studied by sum frequency generation [Z. Yang et al., J. Phys. Chem. C. 113, 20355 (2009)], 10.1021/jp9043122. It was found that the toluene molecule is almost perpendicular to the silica surface with a tilt angle of about 25°. Here, we have investigated the structural properties of toluene and heptane at oil-silica interfaces using molecular dynamics simulations for two different surfaces: the oxygen-bridging (hydrophobic) and hydroxyl-terminated (hydrophilic) surfaces of quartz (silica). Based on the density profile, it was found that both heptane and toluene oscillate on silica surfaces, with heptane showing more oscillation peaks. Furthermore, the toluene molecules of the first layer were found to have an asymmetric distribution of orientations, with more CH3 groups pointed away from the silica surface than towards the silica surface. These findings are generally consistent with previous experiments, and reveal enhanced molecular structures of liquids at oil-silica interfaces.

Asymmetric orientation of toluene molecules at oil-silica interfaces.

PubMed

Ledyastuti, Mia; Liang, Yunfeng; Kunieda, Makoto; Matsuoka, Toshifumi

2012-08-14

The interfacial structure of heptane and toluene at oil-silica interfaces has previously been studied by sum frequency generation [Z. Yang et al., J. Phys. Chem. C. 113, 20355 (2009)]. It was found that the toluene molecule is almost perpendicular to the silica surface with a tilt angle of about 25°. Here, we have investigated the structural properties of toluene and heptane at oil-silica interfaces using molecular dynamics simulations for two different surfaces: the oxygen-bridging (hydrophobic) and hydroxyl-terminated (hydrophilic) surfaces of quartz (silica). Based on the density profile, it was found that both heptane and toluene oscillate on silica surfaces, with heptane showing more oscillation peaks. Furthermore, the toluene molecules of the first layer were found to have an asymmetric distribution of orientations, with more CH(3) groups pointed away from the silica surface than towards the silica surface. These findings are generally consistent with previous experiments, and reveal enhanced molecular structures of liquids at oil-silica interfaces.

Molecular structure, interatomic interactions and vibrational analysis of 1,4-diazabicyclo[3.2.1]octane parent ring system

NASA Astrophysics Data System (ADS)

Britvin, Sergey N.; Rumyantsev, Andrey M.; Zobnina, Anastasia E.; Padkina, Marina V.

2017-02-01

Molecular structure of 1,4-diazabicyclo[3.2.1]octane, a parent ring of TAN1251 family of alkaloids, is herein characterized for the first time in comparison with the structure of nortropane (8-azabicyclo[3.2.1]octane), the parent framework of tropane ring system. The methods of study involve X-ray structural analysis, DFT geometry optimizations with infrared frequency calculations followed by natural bond orbital (NBO) analysis, and vibrational analysis of infrared spectrum.

Pheromone modulates plant odor responses in the antennal lobe of a moth.

PubMed

Chaffiol, Antoine; Dupuy, Fabienne; Barrozo, Romina B; Kropf, Jan; Renou, Michel; Rospars, Jean-Pierre; Anton, Sylvia

2014-06-01

In nature, male moths are exposed to a complex plant odorant environment when they fly upwind to a sex pheromone source in their search for mates. Plant odors have been shown to affect responses to pheromone at various levels but how does pheromone affects plant odor perception? We recorded responses from neurons within the non-pheromonal "ordinary glome ruli" of the primary olfactory center, the antennal lobe (AL), to single and pulsed stimulations with the plant odorant heptanal, the pheromone, and their mixture in the male moth Agrotis ipsilon. We identified 3 physiological types of neurons according to their activity patterns combining excitatory and inhibitory phases. Both local and projection neurons were identified in each physiological type. Neurons with excitatory responses to heptanal responded also frequently to the pheromone and showed additive responses to the mixture. Moreover, the neuron's ability of resolving successive pulses generally improved with the mixture. Only some neurons with combined excitatory/inhibitory, or purely inhibitory responses to heptanal, also responded to the pheromone. Although individual mixture responses were not significantly different from heptanal responses in these neurons, pulse resolution was improved with the mixture as compared with heptanal alone. These results demonstrate that the pheromone and the general odorant subsystems interact more intensely in the moth AL than previously thought. © The Author 2014. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

40 CFR 180.293 - Endothall; tolerances for residues.

Code of Federal Regulations, 2014 CFR

2014-07-01

... established for residues of the herbicide endothall (7 - oxabicyclo[2.2.1] heptane-2,3-dicarboxylic acid) in...,-dimethylalkylamine salts as algicides or herbicides to control aquatic plants in canals, lakes, ponds, and other... indirect or inadvertent combined residues of the herbicide, endothall (7 - oxabicyclo[2.2.1] heptane-2,3...

Evaluation of the flame propagation within an SI engine using flame imaging and LES

NASA Astrophysics Data System (ADS)

He, Chao; Kuenne, Guido; Yildar, Esra; van Oijen, Jeroen; di Mare, Francesca; Sadiki, Amsini; Ding, Carl-Philipp; Baum, Elias; Peterson, Brian; Böhm, Benjamin; Janicka, Johannes

2017-11-01

This work shows experiments and simulations of the fired operation of a spark ignition engine with port-fuelled injection. The test rig considered is an optically accessible single cylinder engine specifically designed at TU Darmstadt for the detailed investigation of in-cylinder processes and model validation. The engine was operated under lean conditions using iso-octane as a substitute for gasoline. Experiments have been conducted to provide a sound database of the combustion process. A planar flame imaging technique has been applied within the swirl- and tumble-planes to provide statistical information on the combustion process to complement a pressure-based comparison between simulation and experiments. This data is then analysed and used to assess the large eddy simulation performed within this work. For the simulation, the engine code KIVA has been extended by the dynamically thickened flame model combined with chemistry reduction by means of pressure dependent tabulation. Sixty cycles have been simulated to perform a statistical evaluation. Based on a detailed comparison with the experimental data, a systematic study has been conducted to obtain insight into the most crucial modelling uncertainties.

Numerical investigation of VOC levels in the area of petrol stations.

PubMed

Kountouriotis, A; Aleiferis, P G; Charalambides, A G

2014-02-01

In the area of petrol stations several Volatile Organic Compounds (VOCs) leak into the atmosphere due to the evaporation of liquid fuels, especially of gasoline that is predominantly composed of light hydrocarbons. The aim of the present study is to investigate the spatial distribution of various VOCs when leaked into the atmosphere in the area of a petrol station. The study is based on numerical simulations. The effect of wind speed and direction, as well as of air temperature has been studied. Gasoline components of different properties have been studied (e.g. pentane, iso-octane, o-xylene, toluene, benzene), as well as ethanol that is considered a new fuel blend component that can be found in different fractions in new gasoline blends worldwide. The area of flammable cloud near the source of the leak is investigated for various atmospheric conditions taking into account the lower and higher flammable limits of each compound. Lastly, the exposure to gasoline vapour is studied taking into consideration the recommended occupational exposure limits of various organisations. © 2013 Elsevier B.V. All rights reserved.

Symmetrical solid oxide fuel cells with impregnated SrFe0.75Mo0.25O3-δ electrodes

NASA Astrophysics Data System (ADS)

Meng, Xie; Liu, Xuejiao; Han, Da; Wu, Hao; Li, Junliang; Zhan, Zhongliang

2014-04-01

Here we report nominally symmetrical solid oxide fuel cells that feature thin La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) electrolytes and impregnated SrFe0.75Mo0.25O3-δ (SFMO)-LSGM composite electrodes. Operation on hydrogen fuels and air oxidants can produce maximum power densities of 0.39 W cm-2 at 650 °C and 0.97 W cm-2 at 800 °C. Impedance measurements indicate that the anode and the cathode polarizations are 0.22 and 0.04 Ω cm2 at 800 °C, respectively. Hydrogen partial pressure and temperature dependence of impedance data in humidified hydrogen shows that hydrogen oxidation kinetics is largely determined by hydrogen adsorption on the SFMO catalysts at high temperatures and charge transfer reactions along the SFMO|LSGM interfaces at low temperatures. Carbon tolerance of the present fuel cells is also examined in iso-octane fuels balanced by nitrogen at 800 °C that yields stable maximum power densities of 0.39 W cm-2.

Dryout-type critical heat flux in vertical upward annular flow: effects of entrainment rate, initial entrained fraction and diameter

NASA Astrophysics Data System (ADS)

Wu, Zan; Wadekar, Vishwas; Wang, Chenglong; Sunden, Bengt

2018-01-01

This study aims to reveal the effects of liquid entrainment, initial entrained fraction and tube diameter on liquid film dryout in vertical upward annular flow for flow boiling. Entrainment and deposition rates of droplets were included in mass conservation equations to estimate the local liquid film mass flux in annular flow, and the critical vapor quality at dryout conditions. Different entrainment rate correlations were evaluated using flow boiling data of water and organic liquids including n-pentane, iso-octane and R134a. Effect of the initial entrained fraction (IEF) at the churn-to-annular flow transition was also investigated. A transitional Boiling number was proposed to separate the IEF-sensitive region at high Boiling numbers and the IEF-insensitive region at low Boiling numbers. Besides, the diameter effect on dryout vapor quality was studied. The dryout vapor quality increases with decreasing tube diameter. It needs to be pointed out that the dryout characteristics of submillimeter channels might be different because of different mechanisms of dryout, i.e., drying of liquid film underneath long vapor slugs and flow boiling instabilities.

Fuel-rich catalytic combustion: A fuel processor for high-speed propulsion

NASA Technical Reports Server (NTRS)

Brabbs, Theodore A.; Rollbuhler, R. James; Lezberg, Erwin A.

1990-01-01

Fuel-rich catalytic combustion of Jet-A fuel was studied over the equivalence ratio range 4.7 to 7.8, which yielded combustion temperatures of 1250 to 1060 K. The process was soot-free and the gaseous products were similar to those obtained in the iso-octane study. A carbon atom balance across the catalyst bed calculated for the gaseous products accounted for about 70 to 90 percent of the fuel carbon; the balance was condensed as a liquid in the cold trap. It was shown that 52 to 77 percent of the fuel carbon was C1, C2, and C3 molecules. The viability of using fuel-rich catalytic combustion as a technique for preheating a practical fuel to very high temperatures was demonstrated. Preliminary results from the scaled up version of the catalytic combustor produced a high-temperature fuel containing large amounts of hydrogen and carbon monoxide. The balance of the fuel was completely vaporized and in various stages of pyrolysis and oxidation. Visual observations indicate that there was no soot present.

Simultaneous imaging of fuel vapor mass fraction and gas-phase temperature inside gasoline sprays using two-line excitation tracer planar laser-induced fluorescence.

PubMed

Zigan, Lars; Trost, Johannes; Leipertz, Alfred

2016-02-20

This paper reports for the first time, to the best of our knowledge, on the simultaneous imaging of the gas-phase temperature and fuel vapor mass fraction distribution in a direct-injection spark-ignition (DISI) spray under engine-relevant conditions using tracer planar laser-induced fluorescence (TPLIF). For measurements in the spray, the fluorescence tracer 3-pentanone is added to the nonfluorescent surrogate fuel iso-octane, which is excited quasi-simultaneously by two different excimer lasers for two-line excitation LIF. The gas-phase temperature of the mixture of fuel vapor and surrounding gas and the fuel vapor mass fraction can be calculated from the two LIF signals. The measurements are conducted in a high-temperature, high-pressure injection chamber. The fluorescence calibration of the tracer was executed in a flow cell and extended significantly compared to the existing database. A detailed error analysis for both calibration and measurement is provided. Simultaneous single-shot gas-phase temperature and fuel vapor mass fraction fields are processed for the assessment of cyclic spray fluctuations.

Fuel-rich catalytic combustion: A soot-free technique for in situ hydrogen-like enrichment

NASA Technical Reports Server (NTRS)

Brabbs, T. A.; Olson, S. L.

1985-01-01

An experimental program on the catalytic oxidation of iso-octane demonstrated the feasibility of the two-stage combustion system for reducing particulate emissions. With a fuel-rich (phi = 4.8 to 7.8) catalytic combustion preburner as the first stage the combustion process was soot free at reactor outlet temperatures of 1200 K or less. Although soot was not measured directly, its absence was indicated. Reaction products collected at two positions downstream of the catalyst bed were analyzed on a gas chromatograph. Comparison of these products indicated that pyrolysis of the larger molecules continued along the drift tube and that benzene formation was a gas-phase reaction. The effective hydrogen-carbon ratio calculated from the reaction products increased by 20 to 68 percent over the range of equivalence ratios tested. The catalytic partial oxidation process also yielded a large number of smaller-containing molecules. The fraction of fuel carbon in compounds having two or fewer carbon atoms ranged from 30 percent at 1100 K to 80 percent at 1200 K.

A Group Contribution Method for Estimating Cetane and Octane Numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kubic, William Louis

Much of the research on advanced biofuels is devoted to the study of novel chemical pathways for converting nonfood biomass into liquid fuels that can be blended with existing transportation fuels. Many compounds under consideration are not found in the existing fuel supplies. Often, the physical properties needed to assess the viability of a potential biofuel are not available. The only reliable information available may be the molecular structure. Group contribution methods for estimating physical properties from molecular structure have been used for more than 60 years. The most common application is estimation of thermodynamic properties. More recently, group contributionmore » methods have been developed for estimating rate dependent properties including cetane and octane numbers. Often, published group contribution methods are limited in terms of types of function groups and range of applicability. In this study, a new, broadly-applicable group contribution method based on an artificial neural network was developed to estimate cetane number research octane number, and motor octane numbers of hydrocarbons and oxygenated hydrocarbons. The new method is more accurate over a greater range molecular weights and structural complexity than existing group contribution methods for estimating cetane and octane numbers.« less

Growth on octane alters the membrane lipid fatty acids of Pseudomonas oleovorans due to the induction of alkB and synthesis of octanol.

PubMed Central

Chen, Q; Janssen, D B; Witholt, B

1995-01-01

Growth of Pseudomonas oleovorans GPo1, which contains the OCT plasmid, on octane results in changes in the membrane phospholipid fatty acid composition. These changes were not found for GPo12, an OCT-plasmid-cured variant of GPo1, during growth in the presence or absence of octane, implying the involvement of OCT-plasmid-encoded functions. When recombinant strain GPo12(pGEc47) carrying the alk genes from the OCT plasmid was grown on octane, the cells showed the same changes in fatty acid composition as those found for GPo1, indicating that such changes result from induction and expression of the alk genes. This finding was corroborated by inducing GPo12(pGEc47) with dicyclopropylketone (DCPK), a gratuitous inducer of the alk genes. Further experiments showed that the increase of the mean acyl chain length of fatty acids is related to the expression of alkB, which encodes a major integral membrane protein, while the formation of trans unsaturated fatty acids mainly results from the effects of 1-octanol, an octane oxidation product. PMID:7592483

New carbocyclic nucleoside analogues with a bicyclo[2.2.1]heptane fragment as sugar moiety; synthesis, X-ray crystallography and anticancer activity.

PubMed

Tănase, Constantin I; Drăghici, Constantin; Căproiu, Miron Teodor; Shova, Sergiu; Mathe, Christophe; Cocu, Florea G; Enache, Cristian; Maganu, Maria

2014-01-01

An amine group was synthesized starting from an optically active bicyclo[2.2.1]heptane compound, which was then used to build the 5 atoms ring of a key 6-chloropurine intermediate. This was then reacted with ammonia and selected amines obtaining new adenine- and 6-substituted adenine conformationally constrained carbocyclic nucleoside analogues with a bicyclo[2.2.1]heptane skeleton in the sugar moiety. X-ray crystallography confirmed an exo-coupling of base to the ring and a L configuration of the nucleoside analogues. The compounds were tested for anticancer activity. Copyright © 2013 Elsevier Ltd. All rights reserved.

Injection Principles from Combustion Studies in a 200-Pound-Thrust Rocket Engine Using Liquid Oxygen and Heptane

NASA Technical Reports Server (NTRS)

Heidmann, M. F.; Auble, C. M.

1955-01-01

The importance of atomizing and mixing liquid oxygen and heptane was studied in a 200-pound-thrust rocket engine. Ten injector elements were used with both steel and transparent chambers. Characteristic velocity was measured over a range of mixture ratios. Combustion gas-flow and luminosity patterns within the chamber were obtained by photographic methods. The results show that, for efficient combustion, the propellants should be both atomized and mixed. Heptane atomization controlled the combustion rate to a much larger extent than oxygen atomization. Induced mixing, however, was required to complete combustion in the smallest volume. For stable, high-efficiency combustion and smooth engine starts, mixing after atomization was most promising.

Characteristic Flavor of Traditional Soup Made by Stewing Chinese Yellow-Feather Chickens.

PubMed

Qi, Jun; Liu, Deng-Yong; Zhou, Guang-Hong; Xu, Xing-Lian

2017-09-01

The traditional recipe for Chinese chicken soup creates a popular taste of particular umami and aroma. The present study investigated the effects of stewing time (1, 2, and 3 h) on the principal taste-active and volatile compounds and the overall flavor profile of traditional Chinese chicken soup by measuring the contents of free amino acids (FAAs), 5'-nucleotides, minerals and volatile compounds and by evaluating the taste and aroma profiles using an electronic nose, an electronic tongue and a human panel. Results showed that the major umami-related compounds in the chicken soup were inosine 5'-monophosphate (IMP) and chloride, both of which increased significantly (P < 0.05) during stewing. The taste active values (TAVs) of the equivalent umami concentration (EUC) increased from 4.08 to 9.93 (P < 0.05) after stewing for 3 h. Although the FAA and mineral contents increased significantly (P < 0.05), their TAVs were less than 1. The volatile compounds were mainly hexanal, heptanal, octanal, nonanal, (E)-2-nonanal, (E)-2-decenal, (E,E)-2,4-decadienal, 1-hexanol, and 2-pentyl furan. With the prolonged stewing time, the aldehydes first increased and then decreased significantly (P < 0.05), while 1-hexanol and 2-pentyl furan increased steadily (P < 0.05). The aroma scores of the chicken soup reached the maximum after stewing for 3 h. The discrepancy in overall flavor characteristics tended to stabilize after 2 h of stewing. In general, stewing time has a positive effect on improving the flavor profiles of chicken soup, especially within the first 2 h. © 2017 Institute of Food Technologists®.

Independent and interactive effect of plant- and mammalian- based odors on the response of the malaria vector, Anopheles gambiae.

PubMed

Jacob, Juliah W; Tchouassi, David P; Lagat, Zipporah O; Mathenge, Evan M; Mweresa, Collins K; Torto, Baldwyn

2018-04-27

Several studies have shown that odors of plant and animal origin can be developed into lures for use in surveillance of mosquito vectors of infectious diseases. However, the effect of combining plant- and mammalian-derived odors into an improved lure for monitoring both nectar- and blood-seeking mosquito populations in traps is yet to be explored. Here we used both laboratory dual choice olfactometer and field assays to investigate responses of the malaria vector, Anopheles gambiae, to plant- and mammalian-derived compounds and a combined blend derived from these two odor sources. Using subtractive bioassays in dual choice olfactometer we show that a 3-component terpenoid plant-derived blend comprising (E)-linalool oxide, β-pinene, β-ocimene was more attractive to females of An. gambiae than (E)-linalool oxide only (previously found attractive in field trials) and addition of limonene to this blend antagonized its attractiveness. Likewise, a mammalian-derived lure comprising the aldehydes heptanal, octanal, nonanal and decanal, was more preferred than (E)-linalool oxide. Surprisingly, combining the plant-derived 3-component blend with the mammalian derived 4-component blend attracted fewer females of An. gambiae than the individual blends in laboratory assays. However, this pattern was not replicated in field trials, where we observed a dose-dependent effect on trap catches while combining both blends with significantly improved trap catches at higher doses. The observed dose-dependent attractiveness for An. gambiae has practical implication in the design of vector control strategies involving kairomones from plant- and mammalian-based sources. Copyright © 2018 Elsevier B.V. All rights reserved.

Analysis Of MSL-1 Measurements Of Heptane Droplet Combustion

NASA Technical Reports Server (NTRS)

Ackerman, Malissa; Williams, Forman

2003-01-01

A droplet combustion experiment (DCE) was performed on the MSL-1 mission of the Space Shuttle Columbia. There were two flights of this mission - STS-83 in April of 1997 and STS-94 in July of 1997. The reflight occurred because a fuel-cell power problem onboard the shuttle forced an early termination of the first flight; this was the only shuttle mission to be flown twice. DCE data were obtained during both flights. A fiber-supported droplet combustion (FSDC) experiment also was run on STS-94. This smaller 'glovebox' experiment, which investigated the combustion of fiber-supported droplets in Spacelab cabin air, had previously flown on the first United States Microgravity Laboratory (USML-1) mission of STS-73, but successful measurements with heptane as the fuel in this experiment were first obtained on STS-94. Although heptane droplet combustion in convective flow also was studied on STS-94, only data without forced convection are considered here. The objective of the present paper is to analyze the results on heptane droplet combustion in quiescent atmospheres.

An Experimental Study of n-Heptane and JP-7 Extinction Limits in an Opposed Jet Burner

NASA Technical Reports Server (NTRS)

Convery, Janet L.; Pellett, Gerald L.; O'Brien, Walter F., Jr.; Wilson, Lloyd G.; Williams, John

2005-01-01

Propulsion engine combustor design and analysis requires experimentally verified data on the chemical kinetics of fuel. Among the important data is the combustion extinction limit as measured by observed maximum flame strain rate. The extinction limit relates to the ability to maintain a flame in a combustor during operation. Extinction limit data can be obtained for a given fuel by means of a laminar flame experiment using an opposed jet burner (OJB). Laminar extinction limit data can be applied to the turbulent application of a combustor via laminar flamelet modeling. The OJB consists of two axi-symmetric tubes (one for fuel and one for oxidizer), which produce a flat, disk-like counter-flow diffusion flame. This paper presents results of experiments to measure extinction limits for n-heptane and the military specification fuel JP-7, obtained from an OJB. JP-7 is an Air Force-developed fuel that continues to be important in the area of hypersonics. Because of its distinct properties it is currently the hydrocarbon fuel of choice for use in Scramjet engines. This study provides much-desired data for JP-7, for which very little information previously existed. The interest in n-heptane is twofold. First, there has been a significant amount of previous extinction limit study and resulting data with this fuel. Second, n-heptane (C7H16) is a pure substance, and therefore does not vary in composition as does JP-7, which is a mixture of several different hydrocarbons. These two facts allow for a baseline to be established by comparing the new OJB results to those previously taken. Additionally, the data set for n-heptane, which previously existed for mixtures up to 26 mole percent in nitrogen, is completed up to 100% n-heptane. The extinction limit data for the two fuels are compared, and complete experimental results are included.

LIFE CYCLE ASSESSMENT OF GASOLINE BLENDING OPTIONS

EPA Science Inventory

A life cycle assessment has been done to compare the potential environmental impacts of various gasoline blends that meet octane and vapour pressure specifications. The main blending components of alkylate, cracked gasoline and reformate have different octane and vapour pressure...

Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo (3:3:0)octan-2-one

DTIC Science & Technology

2016-04-01

dioxabicyclo(3:3:0)octan-2-one molecule .............................................1 Fig. 2 Electrostatic potential map of 5,7-dinitro-5,7-diaza-1,3...the impact sensitivities, the electrostatic maps on the 0.001 isosurfaces were generated with the scalar range of the electrostatic surface potential... Electrostatic potential map of 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo(3:3:0)octan-2- one, a) with and b-c) without molecule overlay. Image c) shows the opposite

EFFECTS OF EQUIVALENCE RATIO ON SPECIES AND SOOT CONCENTRATIONS IN PREMIXED N-HEPTANE FLAMES. (R828193)

EPA Science Inventory

The micro-structure of laminar premixed, atmospheric-pressure, fuel-rich flames of n-heptane/oxygen/argon has been studied at two equivalence ratios (C/O = 0.63 and C/O = 0.67). A heated quartz microprobe coupled to an online gas chromatography/mass spectrometry (HP 5890 Serie...

SIMULATION OF ECOLOGICALLY CONSCIOUS CHEMICAL PROCESSES: FUGITIVE EMISSIONS VERSUS OPERATING CONDITIONS

EPA Science Inventory

Catalytic reforming is an important refinery process for the conversion of low-octane naphtha (mostly paraffins) into high-octane motor fuels (isoparaffins, naphthenes and aromatics), light gases and hydrogen. In this study the catalytic reforming process is analyzed under differ...

Development and characterization of a whole-cell bioluminescent sensor for bioavailable middle-chain alkanes in contaminated groundwater samples.

PubMed Central

Sticher, P; Jaspers, M C; Stemmler, K; Harms, H; Zehnder, A J; van der Meer, J R

1997-01-01

A microbial whole-cell biosensor was developed, and its potential to measure water-dissolved concentrations of middle-chain-length alkanes and some related compounds by bioluminescence was characterized. The biosensor strain Escherichia coli DH5 alpha(pGEc74, pJAMA7) carried the regulatory gene alkS from Pseudomonas oleovorans and a transcriptional fusion of PalkB from the same strain with the promoterless luciferase luxAB genes from Vibrio harveyi on two separately introduced plasmids. In standardized assays, the biosensor cells were readily inducible with octane, a typical inducer of the alk system. Light emission after induction periods of more than 15 min correlated well with octane concentration. In well-defined aqueous samples, there was a linear relationship between light output and octane concentrations between 24 and 100 nM. The biosensor responded to middle-chain-length alkanes but not to alicyclic or aromatic compounds. In order to test its applicability for analyzing environmentally relevant samples, the biosensor was used to detect the bioavailable concentration of alkanes in heating oil-contaminated groundwater samples. By the extrapolation of calibrated light output data to low octane concentrations with a hyperbolic function, a total inducer concentration of about 3 nM in octane equivalents was estimated. The whole-cell biosensor tended to underestimate the alkane concentration in the groundwater samples by about 25%, possibly because of the presence of unknown inhibitors. This was corrected for by spiking the samples with a known amount of an octane standard. Biosensor measurements of alkane concentrations were further verified by comparing them with the results of chemical analyses. PMID:9327569

Analysis of extractables from one euphorbia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nemethy, E.K.; Otvos, J.W.; Calvin, M.

1979-12-01

Chemical analyses have been made of the heptane extractable material of Euphorbia lathyris, a plant which has been proposed as an energy farm candidate. The heptane extract is 4 to 5% of the dry plant weight and has a heat value of approx. 18 x 10/sup 3/ Btu/lb. This reduced photosynthetic material consists almost entirely of polycyclic triterpenoids. 2 figures, 4 tables.

Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media

NASA Astrophysics Data System (ADS)

Zhang, Liyun; Li, Yuzhi; Yuan, Yuan; Jiang, Yuanyuan; Guo, Yanzhi; Li, Menglong; Pu, Xuemei

2016-11-01

In the work, we mainly used molecular dynamics (MD) simulation and protein structure network (PSN) to study subtilisin Carlsberg (SC) immobilized onto carbon nanotube (CNT) in water, acetonitrile and heptane solvents, in order to explore activation mechanism of enzymes in non-aqueous media. The result indicates that the affinity of SC with CNT follows the decreasing order of water > acetonitrile > heptane. The overall structure of SC and the catalytic triad display strong robustness to the change of environments, responsible for the activity retaining. However, the distances between two β-strands of substrate-binding pocket are significantly expanded by the immobilization in the increasing order of water < acetonitrile < heptane, contributing to the highest substrate-binding energy in heptane media. PSN analysis further reveals that the immobilization enhances structural communication paths to the substrate-binding pocket, leading to its larger change than the free-enzymes. Interestingly, the increase in the number of the pathways upon immobilization is not dependent on the absorbed extent but the desorbed one, indicating significant role of shifting process of experimental operations in influencing the functional region. In addition, some conserved and important hot-residues in the paths are identified, providing molecular information for functional modification.

Ascorbyl radical disproportionation in reverse micellar systems

NASA Astrophysics Data System (ADS)

Gębicki, J. L.; Szymańska-Owczarek, M.; Pacholczyk-Sienicka, B.; Jankowski, S.

2018-04-01

Ascorbyl radical was generated by the pulse radiolysis method and observed with the fast kinetic spectrophotometry within reverse micelles stabilized by AOT in n-heptane or by Igepal CO-520 in cyclohexane at different water to surfactant molar ratio, w0. Rate constants for the disproportionation of the ascorbyl radicals were smaller than those for intermicellar exchange for both type of reverse micelles and slower than those in homogeneous aqueous solutions. However, they increased with increasing w0 for AOT/n-heptane system, while they decreased for Igepal CO-520 system. The absorption spectra of ascorbic acid AOT/n-heptane reverse micellar system showed that the "pH" sensed by this molecule is lower than that in respective homogeneous aqueous solutions. The obtained results were rationalized taking into account three main factors (i) preferential location of ascorbic acid molecules in the interfacial region of the both types of reverse micelles; (ii) postulate that the pH of the interface is lower than that of the water pool of reverse micelles and (iii) different structure of the interface of the reverse micelles made by AOT in n-heptane and those formed by Igepal CO-520 I cyclohexane. Some possible consequences of these findings are discussed.

The Effect of Compression Ratio, Fuel Octane Rating, and Ethanol Content on Spark-Ignition Engine Efficiency.

PubMed

Leone, Thomas G; Anderson, James E; Davis, Richard S; Iqbal, Asim; Reese, Ronald A; Shelby, Michael H; Studzinski, William M

2015-09-15

Light-duty vehicles (LDVs) in the United States and elsewhere are required to meet increasingly challenging regulations on fuel economy and greenhouse gas (GHG) emissions as well as criteria pollutant emissions. New vehicle trends to improve efficiency include higher compression ratio, downsizing, turbocharging, downspeeding, and hybridization, each involving greater operation of spark-ignited (SI) engines under higher-load, knock-limited conditions. Higher octane ratings for regular-grade gasoline (with greater knock resistance) are an enabler for these technologies. This literature review discusses both fuel and engine factors affecting knock resistance and their contribution to higher engine efficiency and lower tailpipe CO2 emissions. Increasing compression ratios for future SI engines would be the primary response to a significant increase in fuel octane ratings. Existing LDVs would see more advanced spark timing and more efficient combustion phasing. Higher ethanol content is one available option for increasing the octane ratings of gasoline and would provide additional engine efficiency benefits for part and full load operation. An empirical calculation method is provided that allows estimation of expected vehicle efficiency, volumetric fuel economy, and CO2 emission benefits for future LDVs through higher compression ratios for different assumptions on fuel properties and engine types. Accurate "tank-to-wheel" estimates of this type are necessary for "well-to-wheel" analyses of increased gasoline octane ratings in the context of light duty vehicle transportation.

Rate constants for OH with selected large alkanes : shock-tube measurements and an improved group scheme.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivaramakrishnan, R.; Michael, J. V.; Chemical Sciences and Engineering Division

High-temperature rate constant experiments on OH with the five large (C{sub 5}-C{sub 8}) saturated hydrocarbons n-heptane, 2,2,3,3-tetramethylbutane (2,2,3,3-TMB), n-pentane, n-hexane, and 2,3-dimethylbutane (2,3-DMB) were performed with the reflected-shock-tube technique using multipass absorption spectrometric detection of OH radicals at 308 nm. Single-point determinations at {approx}1200 K on n-heptane, 2,2,3,3-TMB, n-hexane, and 2,3-DMB were previously reported by Cohen and co-workers; however, the present work substantially extends the database to both lower and higher temperature. The present experiments span a wide temperature range, 789-1308 K, and represent the first direct measurements of rate constants at T > 800 K for n-pentane. The presentmore » work utilized 48 optical passes corresponding to a total path length of {approx}4.2 m. As a result of this increased path length, the high OH concentration detection sensitivity permitted pseudo-first-order analyses for unambiguously measuring rate constants. The experimental results can be expressed in Arrhenius form in units of cm{sup 3} molecule{sup -1} s{sup -1} as follows: K{sub OH+n-heptane} = (2.48 {+-} 0.17) x 10{sup -10} exp[(-1927 {+-} 69 K)/T] (838-1287 K); k{sub OH+2,2,3,3-TMB} = (8.26 {+-} 0.89) x 10{sup -11} exp[(-1337 {+-} 94 K)/T] (789-1061 K); K{sub OH+n-pentane} = (1.60 {+-} 0.25) x 10{sup -10} exp[(-1903 {+-} 146 K)/T] (823-1308 K); K{sub OH+n-hexane} = (2.79 {+-} 0.39) x 10{sup -10} exp[(-2301 {+-} 134 K)/T] (798-1299 K); and k{sub OH+2,3-DMB} = (1.27 {+-} 0.16) x 10{sup -10} exp[(-1617 {+-} 118 K)/T] (843-1292 K). The available experimental data, along with lower-T determinations, were used to obtain evaluations of the experimental rate constants over the temperature range from {approx}230 to 1300 K for most of the title reactions. These extended-temperature-range evaluations, given as three-parameter fits, are as follows: k{sub OH+n-heptane} = 2.059 x 10{sup -5}T{sup 1.401} exp(33 K/T) cm{sup 3} molecule{sup -1} s{sup -1} (241-1287 K); k{sub OH+2,2,3,3-TMB} = 6.835 x 10{sup -17}T{sup 1.886} exp(-365 K/T) cm{sup 3} molecule{sup -1} s{sup -1} (290-1180 K); k{sub OH+n-pentane} = 2.495 x 10{sup -16}T{sup 1.649} exp(80 K/T) cm{sup 3} molecule{sup -1} s{sup -1} (224-1308 K); k{sub OH+n-hexane} = 3.959 x 10{sup -18}T{sup 2.218} exp(443 K/T) cm{sup 3} molecule{sup -1} s{sup -1} (292-1299 K); and k{sub OH+2,3-DMB} = 2.287 x 10{sup -17}T{sup 1.958} exp(365 K/T) cm{sup 3} molecule{sup -1} s{sup -1} (220-1292 K). The experimental data and the evaluations obtained for these five larger alkanes in the present work were used along with prior data/evaluations obtained in this laboratory for H abstractions by OH from a series of smaller alkanes (C{sub 3}?C{sub 5}) to devise rate rules for abstractions from various types of primary, secondary, and tertiary H atoms. Specifically, the current scheme was applied with good success to H abstractions by OH from a series of n-alkanes (n-octane through n-hexadecane). The total rate constants using this group scheme for reactions of OH with selected large alkanes are given as three-parameter fits in this article. The rate constants for the various abstraction channels in any large n-alkane can also be obtained using the groups listed in this article. The present group scheme serves to reduce the uncertainties in rate constants for OH + alkane reactions.« less

Separation of Nitration By-Products in Commercial-Grade Trinitro-Toluene by High Performance Liquid Chromatography.

DTIC Science & Technology

1982-06-01

Columns Columns used were:- Alltech 10 micron Silica 250 mm x 4.6 - I.D. Alltech 10 micron C18 Reverse-Phase 250 a x 4.6 mm I.D. Excalibar 10 micron...column with dichloromethane/n-heptane eluent. Ethyl acetate/n-heptane eluent has the advantage that it does not require flushing out at the end of each

Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.

PubMed

Vazquez-Landaverde, P A; Qian, M C; Torres, J A

2007-09-01

Volatile formation in milk subjected to pressure-assisted thermal processing (PATP) was investigated from a reaction kinetic analysis point of view to illustrate the advantages of this technology. The concentration of 27 volatiles of different chemical class in milk subjected to pressure, temperature, and time treatments was fitted to zero-, 1st-, and 2nd-order chemical reaction models. Temperature and pressure effects on rate constants were analyzed to obtain activation energy (E(a)) and activation volume (deltaV*) values. Hexanal, heptanal, octanal, nonanal, and decanal followed 1st-order kinetics with rate constants characterized by E(a) values decreasing with pressure reflecting negative deltaV* values. Formation of 2-methylpropanal, 2,3-butanedione, and hydrogen sulfide followed zero-order kinetics with rate constants increasing with temperature but with unclear pressure effects. E(a) values for 2-methylpropanal and 2,3-butanedione increased with pressure, that is, deltaV* > 0, whereas values for hydrogen sulfide remained constant, that is, deltaV* = 0. The concentration of all other volatiles, including methanethiol, remained unchanged in pressure-treated samples, suggesting large negative deltaV* values. The concentration of methyl ketones, including 2-pentanone, 2-hexanone, 2-heptanone, 2-octanone, 2-nonanone, 2-decanone, and 2-undecanone, was independent of pressure and pressure-holding time. PATP promoted the formation of few compounds, had no effect on some, and inhibited the formation of volatiles reported to be factors of the consumer rejection of "cooked" milk flavor. The kinetic behavior observed suggested that new reaction formation mechanisms were not likely involved in volatile formation in PATP milk. The application of the Le Chatelier principle frequently used to explain the high quality of pressure-treated foods, often with no supporting experimental evidence, was not necessary.

The influence of bleaching agent and temperature on bleaching efficacy and volatile components of fluid whey and whey retentate.

PubMed

Fox, A J; Smith, T J; Gerard, P D; Drake, M A

2013-10-01

Fluid whey or retentate are often bleached to remove residual annatto Cheddar cheese colorant, and this process causes off-flavors in dried whey proteins. This study determined the impact of temperature and bleaching agent on bleaching efficacy and volatile components in fluid whey and fluid whey retentate. Freshly manufactured liquid whey (6.7% solids) or concentrated whey protein (retentate) (12% solids, 80% protein) were bleached using benzoyl peroxide (BP) at 100 mg/kg (w/w) or hydrogen peroxide (HP) at 250 mg/kg (w/w) at 5 °C for 16 h or 50 °CC for 1 h. Unbleached controls were subjected to a similar temperature profile. The experiment was replicated three times. Annatto destruction (bleaching efficacy) among treatments was compared, and volatile compounds were extracted and separated using solid phase microextraction gas chromatography mass spectrometry (SPME GC-MS). Bleaching efficacy of BP was higher than HP (P < 0.05) for fluid whey at both 5 and 50 °C. HP bleaching efficacy was increased in retentate compared to liquid whey (P < 0.05). In whey retentate, there was no difference between bleaching with HP or BP at 50 or 5 °C (P > 0.05). Retentate bleached with HP at either temperature had higher relative abundances of pentanal, hexanal, heptanal, and octanal than BP bleached retentate (P < 0.05). Liquid wheys generally had lower concentrations of selected volatiles compared to retentates. These results suggest that the highest bleaching efficacy (within the parameters evaluated) in liquid whey is achieved using BP at 5 or 50 °C and at 50 °C with HP or BP in whey protein retentate. © 2013 Institute of Food Technologists®

Determination of airborne carbonyls: comparison of a thermal desorption/GC method with the standard DNPH/HPLC method.

PubMed

Ho, Steven Sai Hang; Yu, Jian Zhen

2004-02-01

The standard method for the determination of gaseous carbonyls is to collect carbonyls onto 2,4-dinitrophenyl hydrazine (DNPH) coated solid sorbent followed by solvent extraction of the solid sorbent and analysis of the derivatives using high-pressure liquid chromatography (HPLC). This paper describes a newly developed approach that involves collection of the carbonyls onto pentafluorophenyl hydrazine (PFPH) coated solid sorbents followed by thermal desorption and gas chromatographic (GC) analysis of the PFPH derivatives with mass spectrometric (MS) detection. Sampling tubes loaded with 510 nmol of PFPH on Tenax sorbent effectively collect gaseous carbonyls, including formaldehyde, acetaldehyde, propanal, butanal, heptanal, octanal, acrolein, 2-furfural, benzaldehyde, p-tolualdehyde, glyoxal, and methylglyoxal, at a flow rate of at least up to 100 mL/min. All of the tested carbonyls are shown to have method detection limits (MDLs) of subnanomoles per sampling tube, corresponding to air concentrations of <0.3 ppbv for a sampled volume of 24 L. These limits are 2-12 times lower than those that can be obtained using the DNPH/HPLC method. The improvement of MDLs is especially pronounced for carbonyls larger than formaldehyde and acetaldehyde. The PFPH/GC method also offers better peak separation and more sensitive and specific detection through the use of MS detection. Comparison studies on ambient samples and kitchen exhaust samples have demonstrated that the two methods do not yield systematic differences in concentrations of the carbonyls that are above their respective MDLs in both methods, including formaldehyde, acetaldehyde, acrolein, and butanal. The lower MDLs afforded by the PFPH/ GC method also enable the determination of a few more carbonyls in both applications.

Development of a sampling method for the simultaneous monitoring of straight-chain alkanes, straight-chain saturated carbonyl compounds and monoterpenes in remote areas.

PubMed

Detournay, Anaïs; Sauvage, Stéphane; Locoge, Nadine; Gaudion, Vincent; Leonardis, Thierry; Fronval, Isabelle; Kaluzny, Pascal; Galloo, Jean-Claude

2011-04-01

Studies have shown that biogenic compounds, long chain secondary compounds and long lifetime anthropogenic compounds are involved in the formation of organic aerosols in both polluted areas and remote places. This work aims at developing an active sampling method to monitor these compounds (i.e. 6 straight-chain saturated aldehydes from C6 to C11; 8 straight-chain alkanes from C9 to C16; 6 monoterpenes: α-pinene, β-pinene, camphene, limonene, α-terpinene, & γ-terpinene; and 5 aromatic compounds: toluene, ethylbenzene, meta-, para- and ortho-xylenes) in remote areas. Samples are collected onto multi-bed sorbent cartridges at 200 mL min(-1) flow rate, using the automatic sampler SyPAC (TERA-Environnement, Crolles, France). No breakthrough was observed for sampling volumes up to 120 L (standard mixture at ambient temperature, with a relative humidity of 75%). As ozone has been shown to alter the samples (losses of 90% of aldehydes and up to 95% of terpenes were observed), the addition of a conditioned manganese dioxide (MnO(2)) scrubber to the system has been validated (full recovery of the affected compounds for a standard mixture at 50% relative humidity--RH). Samples are first thermodesorbed and then analysed by GC/FID/MS. This method allows suitable detection limits (from 2 ppt for camphene to 13 ppt for octanal--36 L sampled), and reproducibility (from 1% for toluene to 22% for heptanal). It has been successfully used to determine the diurnal variation of the target compounds (six 3 h samples a day) during winter and summer measurement campaigns at a remote site in the south of France.

X-ray mapping in heterocyclic design: 18. X-ray diffraction study of a series of derivatives of 3-cyanopyridine-2-one with annelated heptane and octane cycles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rybakov, V. B., E-mail: Rybakov20021@yandex.ru; Babaev, E. V.; Paronikyan, E. G., E-mail: Ervand.paronikyan@mail.ru

Seven new, previously unknown, bicyclic and tricyclic heterocycles based on derivatives of 3-cyanopyrid-2-ones are obtained: 2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile, C{sub 11}H{sub 12}N{sub 2}O (1a); 2-[2-(4-chlorophenyl)-2-oxoethoxy]-6,7,8,9-tetrahydro-5H-cyclohepta[b] pyridine-3-carbonitrile, C{sub 19}H{sub 17}ClN{sub 2}O{sub 2} (2a); (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]furo[3,2-e]pyridin-2-yl)(4- chlorophenyl)methanone, C{sub 19}H{sub 17}ClN{sub 2}O{sub 2} (3); 2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carboxamide, C{sub 12}H{sub 16}N{sub 2}O{sub 2} (4); 2-[2-(4-chorophenyl)-2-oxoethoxy]-5,6,7,8,9,10 -hexahydrocycloocta[b]pyridine-3-carboxamide, C{sub 20}H{sub 21}ClN{sub 2}O{sub 3} (5a); 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1,2,5,6,7,8,9,10 -octahydrocycloocta[b]pyridine-3-carboxamide, C{sub 20}H{sub 21}ClN{sub 2}O{sub 3} (5b); and 2-[2-(4-chlorophenyl)-2-oxoethoxy]-5,6,7,8,9,10-hexahydrocycloocta[b] pyridine-3-carbonitrile, C{sub 20}H{sub 19}ClN{sub 2}O{sub 2}, (6). All compounds are characterized by {sup 1}H NMR spectroscopy, and their crystal structures are determined by X-ray diffraction.

Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube in Organic Media by Molecular Dynamics Simulation

PubMed Central

Zhang, Liyun; Xiao, Xiuchan; Yuan, Yuan; Guo, Yanzhi; Li, Menglong; Pu, Xuemei

2015-01-01

The enzyme immobilization has been adopted to enhance the activity and stability of enzymes in non-aqueous enzymatic catalysis. However, the activation and stabilization mechanism has been poorly understood on experiments. Thus, we used molecular dynamics simulation to study the adsorption of α-chymotrypsin (α-ChT) on carbon nanotube (CNT) in aqueous solution and heptane media. The results indicate that α-ChT has stronger affinity with CNT in aqueous solution than in heptane media, as confirmed by more adsorption atoms, larger contact area and higher binding free energies. Although the immobilization causes significant structure deviations from the crystal one, no significant changes in secondary structure of the enzyme upon adsorption are observed in the two media. Different from aqueous solution, the stabilization effects on some local regions far from the surface of CNT were observed in heptane media, in particular for S1 pocket, which should contribute to the preservation of specificity reported by experiments. Also, CNT displays to some extent stabilization role in retaining the catalytic H-bond network of the active site in heptane media, which should be associated with the enhanced activity of enzymes. The observations from the work can provide valuable information for improving the catalytic properties of enzymes in non-aqueous media. PMID:25787884

Model for the partition of neutral compounds between n-heptane and formamide.

PubMed

Karunasekara, Thushara; Poole, Colin F

2010-04-01

Partition coefficients for 84 varied compounds were determined for n-heptane-formamide biphasic partition system and used to derive a model for the distribution of neutral compounds between the n-heptane-rich and formamide-rich layers. The partition coefficients, log K(p), were correlated through the solvation parameter model giving log K(p)=0.083+0.559E-2.244S-3.250A-1.614B+2.387V with a multiple correlation coefficient of 0.996, standard error of the estimate 0.139, and Fisher statistic 1791. In the model, the solute descriptors are excess molar refraction, E, dipolarity/polarizability, S, overall hydrogen-bond acidity, A, overall hydrogen-bond basicity, B, and McGowan's characteristic volume, V. The model is expected to be able to estimate further values of the partition coefficient to about 0.13 log units for the same descriptor space covered by the calibration compounds (E=-0.26-2.29, S=0-1.93, A=0-1.25, B=0.02-1.58, and V=0.78-2.50). The n-heptane-formamide partition system is shown to have different selectivity to other totally organic biphasic systems and to be suitable for estimating descriptor values for compounds of low water solubility and/or stability.

40 CFR 86.113-04 - Fuel specifications.

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for..., Research, Min. D 2699 93 Sensitivity, Min. 7.5 Lead (organic), max. g/U.S. gal. (g/liter) D 3237 0.050 (0... sensitivity is defined as the Research octane number minus the Motor octane number. (iii) The Reid Vapor...

40 CFR 86.113-04 - Fuel specifications.

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for..., Research, Min. D 2699 93 Sensitivity, Min. 7.5 Lead (organic), max. g/U.S. gal. (g/liter) D 3237 0.050 (0... sensitivity is defined as the Research octane number minus the Motor octane number. (iii) The Reid Vapor...

Liquid fuels of high octane values

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jessup, P.J.

1989-03-14

This patent describes an unleaded fuel composition having an octane rating of about 100 or more, the fuel comprising toluene and alkylate and at least two further components selected from the group consisting of methyl tertiary-butyl ether, isopentane, and n-butane. It also describes a specific composition consisting of toluene, isopentane, alkylate, and MTBE.

Probing the molecular forces involved in binding of selected volatile flavour compounds to salt-extracted pea proteins.

PubMed

Wang, Kun; Arntfield, Susan D

2016-11-15

Molecular interactions between heterologous classes of flavour compounds with salt-extracted pea protein isolates (PPIs) were determined using various bond disrupting agents followed by GC/MS analysis. Flavour bound by proteins decreased in the order: dibutyl disulfide>octanal>hexyl acetate>2-octanone=benzaldehyde. Benzaldehyde, 2-octanone and hexyl acetate interacted non-covalently with PPIs, whereas octanal bound PPIs via covalent and non-covalent forces. Dibutyl disulfide reacted with PPIs covalently, as its retention was not diminished by urea and guanidine hydrochloride. Using propylene glycol, H-bonding and ionic interactions were implicated for hexyl acetate, benzaldehyde, and 2-octanone. A protein-destabilising salt (Cl3CCOONa) reduced bindings for 2-octanone, hexyl acetate, and benzaldehyde; however, retention for octanal and dibutyl disulfide increased. Conversely, a protein-stabilising salt (Na2SO4) enhanced retention for benzaldehyde, 2-octanone, hexyl acetate and octanal. Formation of a volatile flavour by-product, 1-butanethiol, from dibutyl disulfide when PPIs were treated with dithiothreitol indicated occurrence of sulfhydryl-disulfide interchange reactions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Solubilization of octane in cationic surfactant-anionic polymer complexes: Effect of ionic strength.

PubMed

Zhang, Hui; Deng, Lingli; Sun, Ping; Que, Fei; Weiss, Jochen

2016-01-01

Polymers may alter the ability of oppositely charged surfactant micelles to solubilize hydrophobic molecules depending on surfactant-polymer interactions. This study was conducted to investigate the effect of ionic strength on the solubilization thermodynamics of an octane oil-in-water emulsion in mixtures of an anionic polymer (carboxymethyl cellulose) and cationic cetyltrimethylammonium bromide (CTAB) surfactant micelles using isothermal titration calorimetry (ITC). Results indicated that the CTAB binding capacity of carboxymethyl cellulose increased with increasing NaCl concentrations up to 100 mM, and the thermodynamic behavior of octane solubilization in CTAB micelles, either in the absence or presence of polymer, was found to have a strong dependence on ionic strength. The increasing ionic strength caused the solubilization in CTAB micelles to be less endothermic or even exothermic, but increased the solubilization capacity. Based on the phase separation model, the solubilization was suggested to be driven by enthalpy. It is indicated that increasing ionic strength gave rise to a larger Gibbs energy decrease but a smaller unfavorable entropy increase for octane solubilization in cationic surfactant micelles. Copyright © 2015 Elsevier Inc. All rights reserved.

Relative electronic and free energies of octane's unique conformations

NASA Astrophysics Data System (ADS)

Kirschner, Karl N.; Heiden, Wolfgang; Reith, Dirk

2017-06-01

This study reports the geometries and electronic energies of n-octane's unique conformations using perturbation methods that best mimic CCSD(T) results. In total, the fully optimised minima of n-butane (2 conformations), n-pentane (4 conformations), n-hexane (12 conformations) and n-octane (96 conformations) were investigated at several different theory levels and basis sets. We find that DF-MP2.5/aug-cc-pVTZ is in very good agreement with the more expensive CCSD(T) results. At this level, we can clearly confirm the 96 stable minima which were previously found using a reparameterised density functional theory (DFT). Excellent agreement was found between their DFT results and our DF-MP2.5 perturbation results. Subsequent Gibbs free energy calculations, using scaled MP2/aug-cc-pVTZ zero-point vibrational energy and frequencies, indicate a significant temperature dependency of the relative energies, with a change in the predicted global minimum. The results of this work will be important for future computational investigations of fuel-related octane reactions and for optimisation of molecular force fields (e.g. lipids).

Partial Characterization of Biosurfactant from Lactobacillus pentosus and Comparison with Sodium Dodecyl Sulphate for the Bioremediation of Hydrocarbon Contaminated Soil

PubMed Central

Moldes, A. B.; Paradelo, R.; Vecino, X.; Cruz, J. M.; Gudiña, E.; Rodrigues, L.; Teixeira, J. A.; Domínguez, J. M.; Barral, M. T.

2013-01-01

The capability of a cell bound biosurfactant produced by Lactobacillus pentosus, to accelerate the bioremediation of a hydrocarbon-contaminated soil, was compared with a synthetic anionic surfactant (sodium dodecyl sulphate SDS-). The biosurfactant produced by the bacteria was analyzed by Fourier transform infrared spectroscopy (FTIR) that clearly indicates the presence of OH and NH groups, C=O stretching of carbonyl groups and NH nebding (peptide linkage), as well as CH2–CH3 and C–O stretching, with similar FTIR spectra than other biosurfactants obtained from lactic acid bacteria. After the characterization of biosurfactant by FTIR, soil contaminated with 7,000 mg Kg−1 of octane was treated with biosurfactant from L. pentosus or SDS. Treatment of soil for 15 days with the biosurfactant produced by L. pentosus led to a 65.1% reduction in the hydrocarbon concentration, whereas SDS reduced the octane concentration to 37.2% compared with a 2.2% reduction in the soil contaminated with octane in absence of biosurfactant used as control. Besides, after 30 days of incubation soil with SDS or biosurfactant gave percentages of bioremediation around 90% in both cases. Thus, it can be concluded that biosurfactant produced by L. pentosus accelerates the bioremediation of octane-contaminated soil by improving the solubilisation of octane in the water phase of soil, achieving even better results than those reached with SDS after 15-day treatment. PMID:23691515

Summary of High-Octane Mid-Level Ethanol Blends Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Theiss, Timothy J.; Alleman, Teresa; Brooker, Aaron

Original equipment manufacturers (OEMs) of light-duty vehicles are pursuing a broad portfolio of technologies to reduce CO 2 emissions and improve fuel economy. Central to this effort is higher efficiency spark ignition (SI) engines, including technologies reliant on higher compression ratios and fuels with improved anti-knock properties, such as gasoline with significantly increased octane numbers. Ethanol has an inherently high octane number and would be an ideal octane booster for lower-octane petroleum blendstocks. In fact, recently published data from Department of Energy (DOE) national laboratories (Splitter and Szybist, 2014a, 2014b; Szybist, 2010; Szybist and West, 2013) and OEMs (Anderson, 2013)more » and discussions with the U.S. Environmental Protection Agency (EPA) suggest the potential of a new high octane fuel (HOF) with 25–40 vol % of ethanol to assist in reaching Renewable Fuel Standard (RFS2) and greenhouse gas (GHG) emissions goals. This mid-level ethanol content fuel, with a research octane number (RON) of about 100, appears to enable efficiency improvements in a suitably calibrated and designed engine/vehicle system that are sufficient to offset its lower energy density (Jung, 2013; Thomas, et al, 2015). This efficiency improvement would offset the tank mileage (range) loss typically seen for ethanol blends in conventional gasoline and flexible-fuel vehicles (FFVs). The prospects for such a fuel are additionally attractive because it can be used legally in over 18 million FFVs currently on the road. Thus the legacy FFV fleet can serve as a bridge by providing a market for the new fuel immediately, so that future vehicles will have improved efficiency as the new fuel becomes widespread. In this way, HOF can simultaneously help improve fuel economy while expanding the ethanol market in the United States via a growing market for an ethanol blend higher than E10. The DOE Bioenergy Technologies Office initiated a collaborative research program between Oak Ridge National Laboratory (ORNL), the National Renewable Energy Laboratory (NREL), and Argonne National Laboratory (ANL) to investigate HOF in late 2013. The program objective was to provide a quantitative picture of the barriers to adoption of HOF and the highly efficient vehicles it enables, and to quantify the potential environmental and economic benefits of the technology.« less

Narcotic Tolerance and Dependence Mechanism: A Neurological Correlate.

DTIC Science & Technology

1977-05-01

chromatin proteins as substrate. Additional histone, 40 ug/0.2 ml did not increase the amount of !-(32P)ATP incorporation. However, additional casein (40...materials. Since casein is not a natural component of brain tissue, the significance of the stimulation of phosphorylation is unclear. There is no...radioactivity at the interface and heptane phase but the ,radioactivity in heptane was negligible. The degree of the partition from the aqueous micelles to the

Steam reforming of heptane in a fluidized bed membrane reactor

NASA Astrophysics Data System (ADS)

Rakib, Mohammad A.; Grace, John R.; Lim, C. Jim; Elnashaie, Said S. E. H.

n-Heptane served as a model compound to study steam reforming of naphtha as an alternative feedstock to natural gas for production of pure hydrogen in a fluidized bed membrane reactor. Selective removal of hydrogen using Pd 77Ag 23 membrane panels shifted the equilibrium-limited reactions to greater conversion of the hydrocarbons and lower yields of methane, an intermediate product. Experiments were conducted with no membranes, with one membrane panel, and with six panels along the height of the reactor to understand the performance improvement due to hydrogen removal in a reactor where catalyst particles were fluidized. Results indicate that a fluidized bed membrane reactor (FBMR) can provide a compact reformer for pure hydrogen production from a liquid hydrocarbon feedstock at moderate temperatures (475-550 °C). Under the experimental conditions investigated, the maximum achieved yield of pure hydrogen was 14.7 moles of pure hydrogen per mole of heptane fed.

Novel Methodology for the Highly-Efficient Separation of Oil and Water (Briefing Charts)

DTIC Science & Technology

2014-03-16

2DISTRIBUTION A. Approved for public release; distribution unlimited. Non-wetting surfaces Superhydrophilic Hydrophilic Hydrophobic Superhydrophobic ...concentrations many surfaces are both superhydrophobic and superoleophilic (*alkane ≈ 0°). Thus, these porous surfaces form ideal membranes for separating...Fluorodecyl POSS Advancing - Water Receding - Water Advancing - Octane Receding - Octane Superhydrophobic Superoleophilic Superhydrophobic

A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons.

PubMed

He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng

2017-07-25

A solvent-dependent oxidative dearomatization-induced divergent [5+2] cascade approach to bicyclo[3.2.1]octanes was described. This novel protocol enables a facile synthesis of a series of diversely functionalized ent-kaurene and cedrene-type skeletons in good yields and excellent diastereoselectivities.

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Brian H.; Connatser, Raynella M.; Lewis, Samuel Arthur

The Fuels, Engines, and Emissions Research Center completed analysis and testing of the CPS Powershot gasoline additive under the auspices of the Department of Energy’s Technical Assistance for US Small Businesses in Vehicle Technologies. Gas chromatography-mass spectrometry (GC-MS) was used to quantify the makeup of the additive, finding a predominance of 2,3-Ditert-Butoxypropanol, also known as Glyceryl Di-Tert-Butyl Ether (GTBE). Blends of the additive at 2 and 4 volume percent were subjected to a number of standard ASTM tests, including Research Octane Number, Motor Octane Number, distillation, and vapor pressure. Results show a high boiling range and low vapor pressure formore » the additive, and a very modest octane boosting effect in gasoline with and without ethanol.« less

Asphaltene aggregation and impact of alkylphenols.

PubMed

Goual, Lamia; Sedghi, Mohammad; Wang, Xiaoxiao; Zhu, Ziming

2014-05-20

The main objective of this study was to provide novel insights into the mechanism of asphaltene aggregation in toluene/heptane (Heptol) solutions and the effect of alkylphenols on asphaltene dispersion through the integration of advanced experimental and modeling methods. High-resolution transmission electron microscope (HRTEM) images revealed that the onset of asphaltene flocculation occurs near a toluene/heptane volume ratio of 70:30 and that flocculates are well below 1 μm in size. To assess the impact of alkylphenols on asphaltene aggregation, octylphenol (OP) and dodecylphenol (DP) were evaluated by impedance analysis based on their ability to delay the precipitation onset and to reduce the size of nonflocculated asphaltene aggregates in 80:20 toluene/heptane solutions. Although a longer dispersant chain length did not affect the precipitation onset, it reduced the size of the aggregates. Molecular dynamics simulations were then performed to understand the mechanism of interaction between a model asphaltene and OP in heptane. OP molecules saturated the H-bonding sites of asphaltenes and prevented them from interacting laterally between themselves. This explained why OP favored the formation of flocculates with filamentary rather than globular structures, which were clearly observed by HRTEM. Although OP proved to be an effective dispersant, its effectiveness was hindered by its self-association and the fact that it interacted at the periphery of asphaltenes, leaving their aromatic cores uncovered.

Structure of fenchone by broadband rotational spectroscopy

NASA Astrophysics Data System (ADS)

Loru, Donatella; Bermúdez, Miguel A.; Sanz, M. Eugenia

2016-08-01

The bicyclic terpenoid fenchone (C10H16O, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one) has been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. The parent species and all heavy atom isotopologues have been observed in their natural abundance. The experimental rotational constants of all isotopic species observed have been determined and used to obtain the substitution (rs) and effective (r0) structures of fenchone. Calculations at the B3LYP, M06-2X, and MP2 levels of theory with different basis sets were carried out to check their performance against experimental results. The structure of fenchone has been compared with those of norbornane (bicyclo[2.2.1]heptane) and the norbornane derivatives camphor (1,7,7-trimethylbicyclo[2.2.1]heptan-2-one) and camphene (3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane), both with substituents at C2. The structure of fenchone is remarkably similar to those of camphor and camphene. Comparison with camphor allows identification of changes in ∠CCC angles due to the different position of the methyl groups. All norbornane derivatives display similar structural changes with respect to norbornane. These changes mainly affect the bond lengths and angles of the six-membered rings, indicating that the substituent at C2 drives structural adjustments to minimise ring strain after its introduction.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loru, Donatella; Bermúdez, Miguel A.; Sanz, M. Eugenia

The bicyclic terpenoid fenchone (C{sub 10}H{sub 16}O, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one) has been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. The parent species and all heavy atom isotopologues have been observed in their natural abundance. The experimental rotational constants of all isotopic species observed have been determined and used to obtain the substitution (r{sub s}) and effective (r{sub 0}) structures of fenchone. Calculations at the B3LYP, M06-2X, and MP2 levels of theory with different basis sets were carried out to check their performance against experimental results. The structure of fenchone has been compared with those ofmore » norbornane (bicyclo[2.2.1]heptane) and the norbornane derivatives camphor (1,7,7-trimethylbicyclo[2.2.1]heptan-2-one) and camphene (3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane), both with substituents at C{sub 2}. The structure of fenchone is remarkably similar to those of camphor and camphene. Comparison with camphor allows identification of changes in ∠CCC angles due to the different position of the methyl groups. All norbornane derivatives display similar structural changes with respect to norbornane. These changes mainly affect the bond lengths and angles of the six-membered rings, indicating that the substituent at C{sub 2} drives structural adjustments to minimise ring strain after its introduction.« less

Fuel Composition Effects at Constant RON and MON in an HCCI Engine Operated with Negative Valve Overlap

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunting, Bruce G; Farrell, John T

2006-01-01

The effects of fuel properties on gasoline HCCI operation have been investigated in a single cylinder, 500 cc, 11.3 CR port fuel injected research engine, operated at lambda=1 and equipped with hydraulic valve actuation. HCCI is promoted by early exhaust valve closing to retain hot exhaust in the cylinder, thereby increasing the cylinder gas temperature. Test fuels were formulated with pure components to have the same RON, MON, and octane sensitivity as an indolene reference fuel, but with a wide range of fuel composition differences. Experiments have been carried out to determine if fuel composition plays a role in HCCImore » combustion properties, independent of octane numbers. Fuel economy, emissions, and combustion parameters have been measured at several fixed speed/load conditions over a range of exhaust valve closing angles. When the data are compared at constant combustion phasing, fuel effects on emissions and other combustion properties are small. However, when compared at constant exhaust valve closing angle, fuel composition effects are more pronounced, specifically regarding ignition. Operability range differences are also related to fuel composition. An all-paraffinic (normal, iso, and cycloparaffins) fuel exhibited distinctly earlier combustion phasing, increased rate of cylinder pressure rise, and increased rate of maximum heat release compared to the indolene reference fuel. Conversely, olefin-containing fuels exhibited retarded combustion phasing. The fuels with the most advanced ignition showed a wider operating range in terms of engine speed and load, irrespective of exhaust closing angle. These ignition differences reflect contributions from both fuel and EGR kinetics, the effects of which are discussed. The fuel composition variables are somewhat inter-correlated, which makes the experimental separation their effects imprecise with this small set of fuels, though clear trends are evident. The overall effects of fuel composition on engine performance and emissions are small. However, the results suggest that the effects on combustion phasing and engine operability range may need to be considered in the practical implementation of HCCI for fuels with large compositional variations.« less

21 CFR 176.160 - Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine. 176.160 Section 176.160 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS...

21 CFR 176.160 - Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine. 176.160 Section 176.160 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS...

21 CFR 176.160 - Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine. 176.160 Section 176.160 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS...

21 CFR 176.160 - Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine. 176.160 Section 176.160 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS...

Experiments on Induction Times of Diesel-Fuels and its Surrogates

NASA Astrophysics Data System (ADS)

Eigenbrod, Christian; Reimert, Manfredo; Marks, Guenther; Rickmers, Peter; Klinkov, Konstantin; Moriue, Osamu

Aiming for as low polluting combustion control as possible in Diesel-engines or gas-turbines, pre-vaporized and pre-mixed combustion at low mean temperature levels marks the goal. Low-est emissions of nitric-oxides are achievable at combustion temperatures associated to mixture ratios close to the lean flammability limit. In order to prevent local mixture ratios to be below the flammability limit (resulting in flame extinction or generation of unburned hydrocarbons and carbon-monoxide) or to be richer than required (resulting in more nitric-oxide than possi-ble), well-stirred conditioning is required. The time needed for spray generation, vaporization and turbulent mixing is limited through the induction time to self-ignition in a hot high-pressure ambiance. Therefore, detailed knowledge about the autoignition of fuels is a pre-requisit. Experiments were performed at the Bremen drop tower to investigate the self-ignition behavior of single droplets of fossil-Diesel oil, rapeseed-oil, Gas-to-Liquid (GTL) synthetic Diesel-oil and the fossil Diesel surrogates n-heptane, n-tetradecane, 50 n-tetradecane/ 50 1-methylnaphthalene as well as on the GTL-surrogates n-tetradecane / bicyclohexyl and n-tetradecane / 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). The rules for selection of the above fuels and the experimental results are presented and dis-cussed.

Theoretical Basis for Estimated Test Times and Conditions for Drop Tower and Space-Based Droplet Burning Experiments With Methanol and N-Heptane

NASA Technical Reports Server (NTRS)

Marchese, Anthony J.; Dryer, Fredrick L.; Choi, Mun Y.

1994-01-01

In order to develop an extensive envelope of test conditions for NASA's space-based Droplet Combustion Experiment (DCE) as well those droplet experiments which can be performed using a drop tower, the transient vaporization and combustion of methanol and n-heptane droplets were simulated using a recently developed fully time-dependent, spherically symmetric droplet combustion model. The transient vaporization of methanol and n-heptane was modeled to characterize the instantaneous gas phase composition surrounding the droplet prior to the introduction of an ignition source. The results for methanol/air showed that the entire gas phase surrounding a 2 mm methanol droplet deployed in zero-g .quickly falls outside the lean flammability limit. The gas phase surrounding an identically-sized n-heptane droplet, on the other hand, remains flammable. The combustion of methanol was then modeled considering a detailed gas phase chemical kinetic mechanism (168 steps, 26 species) and the effect of the dissolution of flame-generated water into the liquid droplet. These results were used to determine the critical ignition diameter required to achieve quasi-steady droplet combustion in a given oxidizing environment. For droplet diameters greater than the critical ignition diameter, the model predicted a finite diameter at which the flame would extinguish. These extinction diameters were found to vary significantly with initial droplet diameter. This phenomenon appears to be unique to the transient heat transfer, mass transfer and chemical kinetics of the system and thus has not been reported elsewhere to date. The extinction diameter was also shown to vary significantly with the liquid phase Lewis number since the amount of water present in the droplet at extinction is largely governed by the rate at which water is transported into the droplet via mass diffusion. Finally, the numerical results for n-heptane combustion were obtained using both 2 step and 96 step semi-emperical chemical kinetic mechanisms. Neither mechanism exhibited the variation of extinction diameter with initial diameter.

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

PubMed

Wang, Ya-Wen; Peng, Yu

2007-12-06

In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07 (19) and 56.24 (19)°. The bridgehead angle is 92.75 (17)°.

Artificial Neural Network Based Group Contribution Method for Estimating Cetane and Octane Numbers of Hydrocarbons and Oxygenated Organic Compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kubic, William Louis; Jenkins, Rhodri W.; Moore, Cameron M.

Chemical pathways for converting biomass into fuels produce compounds for which key physical and chemical property data are unavailable. We developed an artificial neural network based group contribution method for estimating cetane and octane numbers that captures the complex dependence of fuel properties of pure compounds on chemical structure and is statistically superior to current methods.

Artificial Neural Network Based Group Contribution Method for Estimating Cetane and Octane Numbers of Hydrocarbons and Oxygenated Organic Compounds

DOE PAGES

Kubic, William Louis; Jenkins, Rhodri W.; Moore, Cameron M.; ...

2017-09-28

Chemical pathways for converting biomass into fuels produce compounds for which key physical and chemical property data are unavailable. We developed an artificial neural network based group contribution method for estimating cetane and octane numbers that captures the complex dependence of fuel properties of pure compounds on chemical structure and is statistically superior to current methods.

21 CFR 176.160 - Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Chromium (Cr III) complex of N-ethyl-N-heptadecylfluoro-octane sulfonyl glycine. 176.160 Section 176.160 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS Substances for Use Only as Components of...

Homogeneous solutions of hydrophilic enzymes in nonpolar organic solvents. New systems for fundamental studies and biocatalytic transformations.

PubMed

Mozhaev, V V; Poltevsky, K G; Slepnev, V I; Badun, G A; Levashov, A V

1991-11-04

A typical hydrophilic enzyme, CT, can be dissolved in nonpolar organic solvents (n-octane, cyclohexane and toluene) up to microM concentrations. In the homogeneous solution obtained, the enzyme possesses catalytic activity and enormously high thermostability. It does not lose this activity even after several hours refluxing in octane (126 degrees C) or cyclohexane (81 degrees C).

Thermodynamic and kinetic anisotropies in octane thin films.

PubMed

Haji-Akbari, Amir; Debenedetti, Pablo G

2015-12-07

Confinement breaks the translational symmetry of materials, making all thermodynamic and kinetic quantities functions of position. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we use computer simulations to explore the effect of substrate-liquid interactions on thermodynamic and kinetic anisotropies induced by a solid substrate. We consider n-octane nano-films that are in contact with substrates with varying degrees of attraction, parameterized by an interaction parameter ϵS. Complete freezing of octane nano-films is observed at low temperatures, irrespective of ϵS, while at intermediate temperatures, a frozen monolayer emerges at solid-liquid and vapor-liquid interfaces. By carefully inspecting the profiles of translational and orientational relaxation times, we confirm that the translational and orientational degrees of freedom are decoupled at these frozen monolayers. At sufficiently high temperatures, however, free interfaces and solid-liquid interfaces close to loose (low-ϵS) substrates undergo "pre-freezing," characterized by mild peaks in several thermodynamic quantities. Two distinct dynamic regimes are observed at solid-liquid interfaces. The dynamics is accelerated in the vicinity of loose substrates, while sticky (high-ϵS) substrates decelerate dynamics, sometimes by as much as two orders of magnitude. These two distinct dynamical regimes have been previously reported by Haji-Akbari and Debenedetti [J. Chem. Phys. 141, 024506 (2014)] for a model atomic glass-forming liquid. We also confirm the existence of two correlations-proposed in the above-mentioned work-in solid-liquid subsurface regions of octane thin films, i.e., a correlation between atomic density and normal stress, and between atomic translational relaxation time and lateral stress. Finally, we inspect the ability of different regions of an octane film to explore the potential energy landscape by performing inherent structure calculations, and observe no noticeable difference between the free surface and the bulk in efficiently exploring the potential energy landscape. This is unlike the films of model atomic glass formers that tend to sample their respective landscape more efficiently at free surfaces. We discuss the implications of this finding to the ability of octane-and other n-alkanes-to form ultrastable glasses.

Pervaporation separation of thiophene-heptane mixtures with polydimethylsiloxane (PDMS) membrane for desulfurization.

PubMed

Chen, Jian; Li, Jiding; Qi, Rongbin; Ye, Hong; Chen, Cuixian

2010-01-01

Cross-linked polydimethylsiloxane (PDMS)-polyetherimide (PEI) composite membranes were prepared, in which asymmetric microporous PEI membrane prepared with phase inversion method was acted as the microporous supporting layer in the flat-plate composite membrane. Membrane characterization was conducted by Fourier transform infrared and scanning electronic microscopy analysis. The composite membranes were employed in pervaporation separation of n-heptane-thiophene mixtures. Effect of amount of PDMS, cross-linking temperature, amount of cross-linking agent, and cross-linking time on the separation efficiency of n-heptane-thiophene mixtures was investigated experimentally. Experiment results demonstrated that 80-100 degrees degrees C of cross-linking temperature was more preferable for practical application, as the amount of cross-linking agent was up to 20 wt.%, and 25 wt.% of PDMS amount was more optimal as far as flux and sulfur enrichment factor were concerned. In addition, the swelling degree of and stableness of composite membrane during long-time operation were studied, which should be significant for practical application.

[Study of amount of evaporation residue in extracts from plastic kitchen utensils into four food-simulating solvents].

PubMed

Ohno, Hiroyuki; Suzuki, Masako; Kawamura, Yoko

2011-01-01

The amount of evaporation residue was investigated as an index of total amount of non-volatile substances that migrated from plastic kitchen utensils into four food-simulating solvents (water, 4% acetic acid, 20% ethanol and heptane). The samples were 71 products made of 12 types of plastics for food contact use. The amount was determined in accordance with the Japanese testing method. The quantitation limit was 5 µg/mL. In the cases of polyethylene, polypropylene, polystyrene, acrylonitrile styrene resin, acrylonitrile butadiene styrene resin, polyvinyl chloride, polyvinylidene chloride, polymethylpentene, polymethylmethacrylate and polyethylene terephthalate samples, the amount was highest for heptane and very low for the other solvents. On the other hand, in the cases of melamine resin and polyamide samples, the amount was highest for 4% acetic acid or 20% ethanol and lowest for heptane. These results enabled the selection of the most suitable solvent, and the rapid and efficient determination of evaporation residue.

In situ GISAXS study of a Si-containing block copolymer under solvent vapor annealing: Effects of molecular weight and solvent vapor composition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, W.; Yager, K. G.; Ross, C. A.

The room-temperature solvent vapor annealing of polystyrene-b-polydimethylsiloxane (PS-b-PDMS) block copolymer films was studied in situ by grazing incidence small-angle X-ray scattering. Films of cylinder-forming PS-b-PDMS with molecular weight 16 kg/mol and 12.2 kg/mol, annealed under vapors of toluene:heptane with varying composition, exhibited swelling-ratio-dependent evolution of microdomain spacing and orientation. In a vapor made from a toluene:heptane 5:1 volumetric ratio liquid mixture, or from pure toluene, cylindrical microdomains reoriented from majority out-of-plane to in-plane during annealing, while drying led to shrinkage along the film normal and a large distortion of the hexagonal lattice of in-plane cylinders. As a result, annealing undermore » vapor from a toluene:heptane 1:5 volumetric ratio liquid produced a non-bulk lamellar structure in the 16 kg/mol PS-b-PDMS.« less

Synthesis and application of magnetic deep eutectic solvents: Novel solvents for ultrasound assisted liquid-liquid microextraction of thiophene.

PubMed

Khezeli, Tahere; Daneshfar, Ali

2017-09-01

Two novel magnetic deep eutectic solvents (MDESs), comprised of cheap and simple components named [choline chloride/phenol] [FeCl 4 ] and [choline chloride/ethylene glycol] [FeCl 4 ] were prepared and characterized by CHN elemental analysis, proton nuclear magnetic resonance ( 1 H NMR), vibrating sample magnetometery (VSM), Raman, Fourier transform-infrared (FT-IR) and UV-Vis spectrometery. The extraction efficiency of the prepared MDESs has been investigated in ultrasound assisted liquid-liquid microextraction based MDES (UALLME-MDES). Briefly, MDESs were added to n-heptan containing thiophene. Then, MDESs were dispersed in n-heptane by sonication. After that, microdroplets of MDESs were collected by a magnet and the remained concentration of thiophene in n-heptane phase was analyzed by GC-FID. The results indicated that [choline chloride/phenol] [FeCl 4 ] has higher extraction efficiency than [choline chloride/ethylene glycol] [FeCl 4 ]. This work opens a new way to the application of MDESs. Copyright © 2016 Elsevier B.V. All rights reserved.

In situ GISAXS study of a Si-containing block copolymer under solvent vapor annealing: Effects of molecular weight and solvent vapor composition

DOE PAGES

Bai, W.; Yager, K. G.; Ross, C. A.

2016-08-19

The room-temperature solvent vapor annealing of polystyrene-b-polydimethylsiloxane (PS-b-PDMS) block copolymer films was studied in situ by grazing incidence small-angle X-ray scattering. Films of cylinder-forming PS-b-PDMS with molecular weight 16 kg/mol and 12.2 kg/mol, annealed under vapors of toluene:heptane with varying composition, exhibited swelling-ratio-dependent evolution of microdomain spacing and orientation. In a vapor made from a toluene:heptane 5:1 volumetric ratio liquid mixture, or from pure toluene, cylindrical microdomains reoriented from majority out-of-plane to in-plane during annealing, while drying led to shrinkage along the film normal and a large distortion of the hexagonal lattice of in-plane cylinders. As a result, annealing undermore » vapor from a toluene:heptane 1:5 volumetric ratio liquid produced a non-bulk lamellar structure in the 16 kg/mol PS-b-PDMS.« less

New Catalyst Reduces Wasted Carbon in Biofuel Process, Lowers Cost

DOE Office of Scientific and Technical Information (OSTI.GOV)

Researchers at NREL recently developed a catalyst formulation that incorporates more hydrogen into the DME-to-high-octane gasoline process, resulting in a higher yield to gasoline-range products. Further, the researchers developed a secondary process that efficiently couples a portion of the gasoline-range product to yield jet/diesel fuels. The modified catalyst doubles the conversion rate of DME, which can be produced from biomass, to the high-octane gasoline product and significantly decreases the formation of wasted byproducts. For the distillate-range product, 80% of the mixture is in line with ASTM standards for use as a jet fuel blendstock. The increased productivity of high-octane gasolinemore » and the development of a value-added distillate blendstock process further improve the economic viability toward commercially implementing this renewable fuels process.« less

Mutual diffusion coefficients of heptane isomers in nitrogen: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Chae, Kyungchan; Violi, Angela

2011-01-01

The accurate knowledge of transport properties of pure and mixture fluids is essential for the design of various chemical and mechanical systems that include fluxes of mass, momentum, and energy. In this study we determine the mutual diffusion coefficients of mixtures composed of heptane isomers and nitrogen using molecular dynamics (MD) simulations with fully atomistic intermolecular potential parameters, in conjunction with the Green-Kubo formula. The computed results were compared with the values obtained using the Chapman-Enskog (C-E) equation with Lennard-Jones (LJ) potential parameters derived from the correlations of state values: MD simulations predict a maximum difference of 6% among isomers while the C-E equation presents that of 3% in the mutual diffusion coefficients in the temperature range 500-1000 K. The comparison of two approaches implies that the corresponding state principle can be applied to the models, which are only weakly affected by the anisotropy of the interaction potentials and the large uncertainty will be included in its application for complex polyatomic molecules. The MD simulations successfully address the pure effects of molecular structure among isomers on mutual diffusion coefficients by revealing that the differences of the total mutual diffusion coefficients for the six mixtures are caused mainly by heptane isomers. The cross interaction potential parameters, collision diameter σ _{12}, and potential energy well depth \\varepsilon _{12} of heptane isomers and nitrogen mixtures were also computed from the mutual diffusion coefficients.

N-heptane decomposition in multi-needle to plate electrical discharge

NASA Astrophysics Data System (ADS)

Pekarek, Stanislav; Pospisil, Milan

2003-10-01

Plasma based technologies are becoming more and more important for destruction of volatile organic compounds in air streams. The most frequent electrical discharges tested for VOC decomposition are corona and dielectric barrier discharge. We proposed [1] multi-hollow needles to plate atmospheric pressure discharge enhanced by the flow of the mixture of air with VOC through the needles. In this case all reactive mixture will pass through the active zone of the discharge. The high-speed gas flow near the exit of the needle will also efficiently cool the electrodes. Hence the higher values of the discharge current can be obtained without the danger of the discharge transition to the spark. The chemical reactions leading to the VOC decomposition can therefore be enhanced [2]. We performed an experimental study of the n-heptane decomposition efficiency on its concentration in air in the input of the discharge. We choose n-heptane, an important part of organic solvents and part of automotive fuels, as a representative of saturated alkanes. We found that with decreasing n-heptane concentration the decomposition efficiency increases. Acknowledgement: This work was supported by the research program No: J04/98:212300016 "Pollution control and monitoring of the Environment" of the Czech Technical University in Prague. References [1] S. Pekárek, V. Køíha, M. Pospíil - J. Physics D, Appl. Physics, 34, 117 (2001). [2] O. Goosens, T. Callebaut, Y. Akishev, C. Leys - IEEE Trans. Plasma Sc. 30, 176 (2002).

Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane.

PubMed

Rodriguez, Anne; Herbinet, Olivier; Meng, Xiangzan; Fittschen, Christa; Wang, Zhandong; Xing, Lili; Zhang, Lidong; Battin-Leclerc, Frédérique

2017-03-09

A wide range of hydroperoxides (C 1 -C 3 alkyl hydroperoxides, C 3 -C 7 alkenyl hydroperoxides, C 7 ketohydroperoxides, and hydrogen peroxide (H 2 O 2 )), as well as ketene and diones, have been quantified during the gas-phase oxidation of n-heptane. Some of these species, as well as C 10 alkenyl hydroperoxides and ketohydroperoxides, were also measured during the oxidation of n-decane. These experiments were performed using an atmospheric-pressure jet-stirred reactor at temperatures from 500 to 1100 K and one of three analytical methods, time-of-flight mass spectrometry combined with tunable synchrotron photoionization with a molecular beam sampling: time-of-flight mass spectrometry combined with laser photoionization with a capillary tube sampling, continuous wave cavity ring-down spectroscopy with sonic probe sampling. The experimental temperature at which the maximum mole fraction is observed increases significantly for alkyl hydroperoxides, alkenyl hydroperoxides, and then more so again for hydrogen peroxide, compared to ketohydroperoxides. The influence of the equivalence ratio from 0.25 to 4 on the formation of these peroxides has been studied during n-heptane oxidation. The up-to-date detailed kinetic oxidation models for n-heptane and for n-decane found in the literature have been used to discuss the possible pathways by which these peroxides, ketene, and diones are formed. In general, the model predicts well the reactivity of the two fuels, as well as the formation of major intermediates.

Synthesis and Free Radical Polymerization of Fluorinated Polyhedral Oligomeric Silsesquioxane (F-POSS) Macromers: Precursors for Low Surface Energy Materials and Devices

DTIC Science & Technology

2012-04-01

Methanol Octane Methylene Iodide Water Superhydrophobic /oleophilic dip-coated fabric Tuteja et al, Science, 2007, 318, 1618 Superamphiphobic...building block material for low surface energy materials • Applications – Mechanical robust superhydrophobic /oleophobic/omniphobic surfaces • Via...non-wetting polymeric surfaces 5 mm Methanol Octane Methylene Iodide Water Superhydrophobic /oleophilic dip-coated fabric Tuteja et al, Science, 2007

Synthesis and antibacterial activities of new 1 beta-methylcarbapenems having a 1,3-diazabicyclo[3.3.0]octan-2,4-dione moiety.

PubMed

Nam, K H; Oh, C H; Ham, Y W; Lee, K S; Cho, J H

1997-08-01

The synthesis of a new series of 1 beta-methylcarbapenems having a 1,3-diazabicyclo[3.3.0]octane-2,4-dione moiety is described. Their in vitro antibacterial activities against both Gram-positive and Gram-negative bateria are determined and the effect of substituent on the bicyclic ring as well as stereoisomerism was investigated.

Structure Study on Microemulsion System with an Ionic Liquid (IL) by Small-Angle Neutron Scattering

NASA Astrophysics Data System (ADS)

Kang, Tae Hui; Qian, Shuo; Smith, Gregory S.; Do, Changwoo; Heller, William T.

The self-assembly of IL with a long alkyl chains provides molecular level control on the structure enabling applications, including, creating microemulsion with dual functions of extractant and surfactant. The IL, C14MIMCl is not soluble in alkane solvents, even with the addition of octanol. However, with a small amount of water, a water-in-oil micromemulsion forms, that obeys the swelling law with water content. The mixed surfactant system, C14MIMCl/octanol, has different chemistry and molecular geometries depending on its composition. Through the use of SANS, it is possible to determine the impact of the surfactant system on the structure of the microemulsion, as well as to learn the composition of various regions in the structure. The microemulsion system was studied by dilution with octane from 10 to 70 wt%. A strong intensity peak was observed near 0.1 Å-1, and the stable phase shows a structural transition at 30 wt% octane. Contrast variation experiments were done with d-octane and h-octane to understand the structure of the microemulsion, as well as the structural transition. Further, systematic concentration studies of surfactant at constant water-to-oil molar ratio and of water at constant 30 wt% surfactant were performed.

Numerical Investigation on Sensitivity of Liquid Jet Breakup to Physical Fuel Properties with Experimental Comparison

NASA Astrophysics Data System (ADS)

Kim, Dokyun; Bravo, Luis; Matusik, Katarzyna; Duke, Daniel; Kastengren, Alan; Swantek, Andy; Powell, Christopher; Ham, Frank

2016-11-01

One of the major concerns in modern direct injection engines is the sensitivity of engine performance to fuel characteristics. Recent works have shown that even slight differences in fuel properties can cause significant changes in efficiency and emission of an engine. Since the combustion process is very sensitive to the fuel/air mixture formation resulting from disintegration of liquid jet, the precise assessment of fuel sensitivity on liquid jet atomization process is required first to study the impact of different fuels on the combustion. In the present study, the breaking process of a liquid jet from a diesel injector injecting into a quiescent gas chamber is investigated numerically and experimentally for different liquid fuels (n-dodecane, iso-octane, CAT A2 and C3). The unsplit geometric Volume-of-Fluid method is employed to capture the phase interface in Large-eddy simulations and results are compared against the radiography measurement from Argonne National Lab including jet penetration, liquid mass distribution and volume fraction. The breakup characteristics will be shown for different fuels as well as droplet PDF statistics to demonstrate the influences of the physical properties on the primary atomization of liquid jet. Supported by HPCMP FRONTIER award, US DOD, Office of the Army.

Measurements of droplet velocity and size downstream of the moving valves of a four-valve engine with manifold injection, operated under isothermal steady suction conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Posylkin, M.; Taylor, A.M.K.P.; Whitelaw, J.H.

The four-valve head of a VTEC engine was mounted on an open cylinder and the valves and fuel injection system operated as in the engine with a rotational speed of 1,200 rpm. Local measurements of droplet characteristics were obtained with a phase-Doppler velocimeter and iso-octane injected over 5 ms intervals, corresponding to 36 crank angle degrees, with manifold depression of 20 mbar. The results show that most of the fuel droplets were located close to the liner and on the side of the cylinder adjacent to the exhaust valves. In the plane of the measurement, 10 mm below TDC, themore » liquid flux diminished as the initiation of injection was advanced before opening of the inlet valves. With injection with the inlet valves closed, there were two waves of droplets, one from each of the two valves and separated by 60 deg CA and both with the Sauter mean diameter of about 120 {micro}m. With injection with the inlet valves open, most of the droplets emerged from the main inlet valve and with Sauter mean diameters of about 50 {micro}m, smaller than those of the unconfined spray.« less

Identification of characteristic aroma compounds in raw and thermally processed African giant snail (Achatina fulica).

PubMed

Lasekan, Ola; Muniady, Megala; Lin, Mee; Dabaj, Fatma

2018-04-24

Food flavor appreciation is one of the first signals along with food appearance and texture encountered by consumers during eating of food. Also, it is well known that flavor can strongly influence consumer's acceptability judgment. The increase in the consumption of snail meat across the world calls for the need to research into the aroma compounds responsible for the distinctive aroma notes of processed snail meat. The odorants responsible for the unique aroma notes in thermally processed giant African snail meats were evaluated by means of aroma extract dilution analysis (AEDA), gas chromatography-olfactometry (GC-O) and odor activity values (OAVs) respectively. Results revealed significant differences in the aroma profiles of the raw and thermally processed snail meats. Whilst the aroma profile of the raw snail meat was dominated with the floral-like β-ionone and β-iso-methyl ionone, sweaty/cheesy-like butanoic acid, and the mushroom-like 1-octen-3-one, the boiled and fried samples were dominated with the thermally generated odorants like 2-methylpyrazine, 2,5-dimethylpyrazine, 2-acetylthiazole and 2-acetylpyridine. Finally, results have shown that sotolon, 2-acetyl-1-pyrroline, 2-furanmethanethiol, 2-methylbutanal, 1-octen-3-one, octanal, furanone, 2-methoxyphenol, 2-acetylpyridine, 2-acetylthiazole, and 2-methylpyrazine contributed to the overall aroma of the thermally processed snail meat.

Lipase in biphasic alginate beads as a biocatalyst for esterification of butyric acid and butanol in aqueous media.

PubMed

Ng, Choong Hey; Yang, Kun-Lin

2016-01-01

Esterification of organic acids and alcohols in aqueous media is very inefficient due to thermodynamic constraints. However, fermentation processes used to produce organic acids and alcohols are often conducted in aqueous media. To produce esters in aqueous media, biphasic alginate beads with immobilized lipase are developed for in situ esterification of butanol and butyric acid. The biphasic beads contain a solid matrix of calcium alginate and hexadecane together with 5 mg/mL of lipase as the biocatalyst. Hexadecane in the biphasic beads serves as an organic phase to facilitate the esterification reaction. Under optimized conditions, the beads are able to catalyze the production of 0.16 mmol of butyl butyrate from 0.5 mmol of butyric acid and 1.5 mmol of butanol. In contrast, when monophasic beads (without hexadecane) are used, only trace amount of butyl butyrate is produced. One main application of biphasic beads is in simultaneous fermentation and esterification (SFE) because the organic phase inside the beads is very stable and does not leach out into the culture medium. SFE is successfully conducted with an esterification yield of 6.32% using biphasic beads containing iso-octane even though the solvent is proven toxic to the butanol-producing Clostridium spp. Copyright © 2015 Elsevier Inc. All rights reserved.

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl­sulfonyl­meth­yl)spiro­[bicyclo­[2.2.1]heptane-2,2′-1,3-dioxolane

PubMed Central

Wang, Ya-Wen; Peng, Yu

2008-01-01

In the title compound, C18H24O4S, the chiral bicyclo­[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07 (19) and 56.24 (19)°. The bridgehead angle is 92.75 (17)°. PMID:21200933

Discovery, synthesis, selectivity modulation and DMPK characterization of 5-azaspiro[2.4]heptanes as potent orexin receptor antagonists.

PubMed

Stasi, Luigi Piero; Artusi, Roberto; Bovino, Clara; Buzzi, Benedetta; Canciani, Luca; Caselli, Gianfranco; Colace, Fabrizio; Garofalo, Paolo; Giambuzzi, Silvia; Larger, Patrice; Letari, Ornella; Mandelli, Stefano; Perugini, Lorenzo; Pucci, Sabrina; Salvi, Matteo; Toro, PierLuigi

2013-05-01

Starting from a orexin 1 receptor selective antagonist 4,4-disubstituted piperidine series a novel potent 5-azaspiro[2.4]heptane dual orexin 1 and orexin 2 receptor antagonist class has been discovered. SAR and Pharmacokinetic optimization of this series is herein disclosed. Lead compound 15 exhibits potent activity against orexin 1 and orexin 2 receptors along with low cytochrome P450 inhibition potential, good brain penetration and oral bioavailability in rats. Copyright © 2013 Elsevier Ltd. All rights reserved.

The effects of detailed chemistry and transport on microgravity droplet combustion

NASA Technical Reports Server (NTRS)

Marchese, A. J.; Lee, J. C.; Held, T. J.; Dryer, F. L.

1995-01-01

A brief overview of recent advances in the theoretical study of microgravity droplet combustion is presented. Much of this work has centered on the development and utilization of sphero-symmetric transient numerical models which consider detailed gas phase chemistry and transport as well as energy and/or species transport within a regressing condensed phase. Numerical results for microgravity combustion and vaporization of methanol, methanol/water, heptane, and heptane/hexadecane droplets are summarized along with refinements in chemical kinetics and the development of a new two-dimensional axi-symmetric model.

Chemical Durability Improvement and Static Fatigue of Glasses.

DTIC Science & Technology

1982-05-01

Specifically, the replacement of hydroxyl groups on the glass surface with silane or Grignard reagent nearly completely eliminated stress rate dependence...CK3SiC13 in Heptane solution Cc) 2 vol % (CR3)3SIC1 in Heptane solution (d) 0.1 M CH3MgBr ( Grignard reagent ) in n-Buthyl ether solution • Corning 7900...C113)3- SiCl or C13MgBr ( Grignard reagent ) solution while it remains practi- cally unchanged in CH3SiCI3 solution. In CH3SICI3 , the strength is

Synthesis and structure-activity relationship of di-(3, 8-diazabicyclo[3.2.1]octane) diquaternary ammonium salts as unique analgesics.

PubMed

Liu, Hong; Cheng, Tie-Ming; Zhang, Hong-Mei; Li, Run-Tao

2003-11-01

Based on the structure characteristics of the lead compounds, 1, 1' octanedioyl-4, 4'-dimethyl-4, 4'-dibenzyl dipiperazinium dibromide (2) and 3, 8-disubstituted-3, 8-diazabicyclo [3.2.1]octanes (DBO), di-(3, 8-diazabicyclo [3.2.1]octane) diquaternary ammonium salts 3 a-c were designed and synthesized through a highly practical procedure. Target compounds 3 a-c and the hydrochloride salts of their precursors 10 a-c were evaluated for their in vivo analgesic and sedative activities. Interestingly, the introduction of an endoethylenic bridge in the piperazine of lead compound 2 causes loss of the analgesic activity and increases the toxicity dramatically. This result shows that the flexible conformation of piperazine in compound 2 is favorable for interaction with the receptor, and the quaternization of compounds 10 a-c is the main reason for the toxicity increase.

Exhaust Emissions from Gasoline- and LPG-Powered Vehicles Operating at the Altitude of Mexico City.

PubMed

Gamas, Erick D; Diaz, Luis; Rodriguez, René; López-Salinas, E; Schifter, Isaac; Ontiveros, Luis

1999-10-01

Unburned hydrocarbons (HCs), carbon monoxide (CO), and oxides of nitrogen (NO x ) are the compounds regulated as pollutants by an environmental standard in the Metropolitan Area of Mexico City (MAMC). The main fuel used in vehicular transportation is gasoline, and the use of liquefied petroleum gas (LPG) is now an alternative as low emission technology to decrease the environmental impact of transportation operations. The environmental impact of commercial gasoline consumption in the Valley of Mexico was estimated by on-road and FTP-75 testing of three formulations of gasoline (one leaded [octane 81] and two unleaded [one octane 87 and one octane 93]). A fleet of 30 vehicles was used: 10 were chosen that had pre-1990 technology, while 12 were 1991-1996 vehicles equipped with fuel injection, catalytic converters, and air/ fuel ratio control technology. The remaining eight vehicles were high-performance new model vehicles (1995-1996) equipped with the newest technology available for pollution control. Fifteen vehicles in the fleet were also tested for the effect of changing from leaded to unleaded gasoline. Three different LPG formulations were tested using three vehicles representative of the LPG-powered fleet in the MAMC. Two gasoline-to-LPG conversion certified commercial systems were evaluated following the BAR-90 and the HOT-505 procedures. Emissions corresponding to the high-octane (premium) gasoline showed a 15% higher contribution to HCs with a 6% lower reactivity than the 87 octane gasoline; the HCs in the exhaust for premium gasoline are mainly isoparaffins. When the vehicles were tested on the road at high speeds, an average 3% increase in mileage was obtained when vehicles were switched from leaded to unleaded gasoline, while a 5% increase in mileage was observed when vehicles were switched from 87 octane to premium gasoline. The tests of LPG formulations indicated that a change in composition from 60% vol of propane to 85.5% vol reduces levels of HCs and CO emissions; such is not the case for the NO x emissions. The higher the concentration of propane, the higher the levels of NO x that reached values above the maximum limits set by the environmental standard. A value of 70% vol of propane in the LPG mixture, with variations no greater than 4%, seems to be the best method for reducing pollutant emissions in Mexico City.

Persistence assessment of cyclohexyl- and norbornyl-derived ketones and their degradation products in different OECD screening tests.

PubMed

Seyfried, M; van Ginkel, C G; Boschung, A; Miffon, F; Fantini, P; Tissot, E; Baroux, L; Merle, P; Chaintreau, A

2015-07-01

The persistence of synthetic cyclohexyl- and norbornyl-derived ketones was assessed by using OECD 301F and 301D biodegradation tests. While cyclohexyl-derived ketones either reached or came close to the pass level (60%) after 60 d, the corresponding norbornyl derivatives yielded significantly less biodegradation (<40%). By analyzing extracts at 60 d, the key degradation products of four norbornyl derivatives were identified. Consistently, 2-bicyclo[2.2.1]heptane carboxylic acid was found as a principal degradation product with minor quantities of bicyclo[2.2.1]heptan-2-one and 2-bicyclo[2.2.1]heptane acetic acid. When the three degradation products were re-synthesized and tested individually for biodegradability, the former two were found to be ultimately biodegradable after 60 d in OECD 301D tests, thus proving non-persistence. Similarly, 2-bicyclo[2.2.1]heptane acetic acid was found to be degraded significantly, albeit with long lag phases exceeding 60 d in the case of freshwater inoculum, then ultimately reaching the pass level. On the other hand, norbornyl ketones were still only partially biodegradable in the same test. We conclude that despite the potential for ultimate biodegradation of norbornyl-derived ketones, current screening tests yield an incomplete picture of their biodegradability, particularly when applying strict OECD criteria. The appearance of long lag phases when re-testing norbornyl ketone degradation products underlines the importance of extending tests to well beyond 28 and even 60 d in the case of freshwater inocula. Copyright © 2015 Elsevier Ltd. All rights reserved.

NMR Express-analyser for quality monitoring of motor fuel

NASA Astrophysics Data System (ADS)

Protasov, E. A.; Protasov, D. E.

2016-09-01

A method for the rapid analysis of motor fuel quality was developed by artificial increase of the octane number through dissolving ferrocene in a low-octane gasoline (C10H10Fe). Measurements of the spin-lattice relaxation time of nuclear magnetic resonance is used for determination of ferrocene presence in standardized and real fuel from gas stations. The results of measurements of the relaxation characteristics among certain grades of motor fuel with dissolving ferrocene therein are presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric; Talmadge, M.; Dutta, Abhijit

The U.S. Department of Energy (DOE) promotes research for enabling cost-competitive liquid fuels production from lignocellulosic biomass feedstocks. The research is geared to advance the state of technology (SOT) of biomass feedstock supply and logistics, conversion, and overall system sustainability. As part of their involvement in this program, the National Renewable Energy Laboratory (NREL) and the Pacific Northwest National Laboratory (PNNL) investigate the economics of conversion pathways through the development of conceptual biorefinery process models. This report describes in detail one potential conversion process for the production of high octane gasoline blendstock via indirect liquefaction (IDL). The steps involve themore » conversion of biomass to syngas via indirect gasification followed by gas cleanup and catalytic syngas conversion to a methanol intermediate; methanol is then further catalytically converted to high octane hydrocarbons. The conversion process model leverages technologies previously advanced by research funded by the Bioenergy Technologies Office (BETO) and demonstrated in 2012 with the production of mixed alcohols from biomass. Biomass-derived syngas cleanup via tar and hydrocarbons reforming was one of the key technology advancements as part of that research. The process described in this report evaluates a new technology area with downstream utilization of clean biomass-syngas for the production of high octane hydrocarbon products through a methanol intermediate, i.e., dehydration of methanol to dimethyl ether (DME) which subsequently undergoes homologation to high octane hydrocarbon products.« less

Measurement of air and VOC vapor fluxes during gas-driven soil remediation: bench-scale experiments.

PubMed

Kim, Heonki; Kim, Taeyun; Shin, Seungyeop; Annable, Michael D

2012-09-04

In this laboratory study, an experimental method was developed for the quantitative analyses of gas fluxes in soil during advective air flow. One-dimensional column and two- and three-dimensional flow chamber models were used in this study. For the air flux measurement, n-octane vapor was used as a tracer, and it was introduced in the air flow entering the physical models. The tracer (n-octane) in the gas effluent from the models was captured for a finite period of time using a pack of activated carbon, which then was analyzed for the mass of n-octane. The air flux was calculated based on the mass of n-octane captured by the activated carbon and the inflow concentration. The measured air fluxes are in good agreement with the actual values for one- and two-dimensional model experiments. Using both the two- and three-dimensional models, the distribution of the air flux at the soil surface was measured. The distribution of the air flux was found to be affected by the depth of the saturated zone. The flux and flux distribution of a volatile contaminant (perchloroethene) was also measured by using the two-dimensional model. Quantitative information of both air and contaminant flux may be very beneficial for analyzing the performance of gas-driven subsurface remediation processes including soil vapor extraction and air sparging.

Identification of octanal as plant growth inhibitory volatile compound released from Heracleum sosnowskyi fruit.

PubMed

Mishyna, Maryia; Laman, Nikolai; Prokhorov, Valery; Maninang, John Solomon; Fujii, Yoshiharu

2015-05-01

Heracleum sosnowskyi Manden of the Apiaceae family is a malignant invasive plant in Eastern Europe, Belarus and Russia. The species is known for its prolific seed production, which has been linked to the plant's invasive success. The fruit also has a strong aroma, but the contribution of the fruit's volatile constituent to out-compete neighboring plants has not been fully established. In this study, fruit volatiles of H. sosnowskyi and conspecifics (i.e. H. asperum, H. lescovii, H. dissectum, H. hirtum) were identified by headspace gas chromatography-mass spectrometry (HS-GC-MS). Octyl acetate, octanol, octanal, hexyl isobutyrate, and hexyl-2-methyl butyrate were found to be the principal volatiles. Using authentic standards, the growth-inhibitory property of the individual compounds was assayed by the novel Cotton swab method. Assay results with lettuce (Lactuca sativa) showed that octanal strongly inhibited seed germination and radicle elongation of seedlings. The results suggest that octanal may be the main contributor to the allelopathic activity of H. sosnowksyi fruits. Furthermore, the mixture of fruit volatiles from the invasive H. sosnowskyi more strongly delayed lettuce seedling elongation than the volatiles from fruits of the non-invasive H. asperum, H. lescovii, H. dissectum and H. hirtum. Thus, the present study is the first to demonstrate the possible involvement of fruit volatiles of Heracleum species in plant-plant interaction.

Highly Efficient and Facile Photocatalytic Recycling System Suitable for ICAR ATRP of Hydrophilic Monomers.

PubMed

Jiang, Xiaowu; Zhang, Lifen; Cheng, Zhenping; Zhu, Xiulin

2016-08-01

Photoinduced initiators for continuous activator regeneration atom transfer radical polymerization (ATRP) of hydrophilic monomers in heptane/ethanol latent-biphasic system for copper catalyst separation and recycling have been realized for the first time at room temperature with different wavelengths of visible light LED (green, blue, purple, and white LED) as external stimulus, using 2-bromophenylacetate as the ATRP initiator and camphorquinone/triethylamine as the photoinitiator. In this system, hybrid catalyst complex (HCc) is synthesized as a novel nonpolar catalyst, which is preferentially dissolved in heptane. The hydrophilic polymers obtained catalyzed by HCc in heptane/ethanol mixture solvent show typical "living" features, for example, the values of Mn,GPC increase linearly with monomer conversion up to quantitative level (>96%) and the molecular weight distributions were kept narrow (Mw /Mn < 1.20) throughout the polymerization process. It should be noted that the excellent controllability of this novel polymerization system can be achieved even after 5 catalyst recycling experiments under LED irradiation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic measurement of speed of sound in n-Heptane by ultrasonics during fuel injections.

PubMed

Minnetti, Elisa; Pandarese, Giuseppe; Evangelisti, Piersavio; Verdugo, Francisco Rodriguez; Ungaro, Carmine; Bastari, Alessandro; Paone, Nicola

2017-11-01

The paper presents a technique to measure the speed of sound in fuels based on pulse-echo ultrasound. The method is applied inside the test chamber of a Zeuch-type instrument used for indirect measurement of the injection rate (Mexus). The paper outlines the pulse-echo method, considering probe installation, ultrasound beam propagation inside the test chamber, typical signals obtained, as well as different processing algorithms. The method is validated in static conditions by comparing the experimental results to the NIST database both for water and n-Heptane. The ultrasonic system is synchronized to the injector so that time resolved samples of speed of sound can be successfully acquired during a series of injections. Results at different operating conditions in n-Heptane are shown. An uncertainty analysis supports the analysis of results and allows to validate the method. Experimental results show that the speed of sound variation during an injection event is less than 1%, so the Mexus model assumption to consider it constant during the injection is valid. Copyright © 2017 Elsevier B.V. All rights reserved.

Conceptual process design and economics for the production of high-octane gasoline blendstock via indirect liquefaction of biomass through methanol/dimethyl ether intermediates

DOE PAGES

Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; ...

2015-10-28

This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economicmore » analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.« less

Power and Thermal Technologies for Air and Space -- Scientific Research Program. Delivery Order 0016: Developing and Processing High Energy Density Polymer Film Dielectrics for High Temperature Air Force Power Electronic Applications

DTIC Science & Technology

2010-01-01

a vacuum controller. A vacuum of < 1 µ torr was achieved with a combination of a turbo pump and a scroll pump system. The sample probing is...the polymer was reprecipitated in heptane non-solvent. The filtered polymer was washed with heptane and was finally dried in vacuum at 100ºC for three...solution was added to a large excess of methanol to precipitate the polymer. After soxhlet extraction with methanol and vacuum drying, the polymer was

Droplet Combustion Experiments Aboard the International Space Station

NASA Astrophysics Data System (ADS)

Dietrich, Daniel L.; Nayagam, Vedha; Hicks, Michael C.; Ferkul, Paul V.; Dryer, Frederick L.; Farouk, Tanvir; Shaw, Benjamin D.; Suh, Hyun Kyu; Choi, Mun Y.; Liu, Yu Cheng; Avedisian, C. Thomas; Williams, Forman A.

2014-10-01

This paper summarizes the first results from isolated droplet combustion experiments performed on the International Space Station (ISS). The long durations of microgravity provided in the ISS enable the measurement of droplet and flame histories over an unprecedented range of conditions. The first experiments were with heptane and methanol as fuels, initial droplet droplet diameters between 1.5 and 5.0 m m, ambient oxygen mole fractions between 0.1 and 0.4, ambient pressures between 0.7 and 3.0 a t m and ambient environments containing oxygen and nitrogen diluted with both carbon dioxide and helium. The experiments show both radiative and diffusive extinction. For both fuels, the flames exhibited pre-extinction flame oscillations during radiative extinction with a frequency of approximately 1 H z. The results revealed that as the ambient oxygen mole fraction was reduced, the diffusive-extinction droplet diameter increased and the radiative-extinction droplet diameter decreased. In between these two limiting extinction conditions, quasi-steady combustion was observed. Another important measurement that is related to spacecraft fire safety is the limiting oxygen index (LOI), the oxygen concentration below which quasi-steady combustion cannot be supported. This is also the ambient oxygen mole fraction for which the radiative and diffusive extinction diameters become equal. For oxygen/nitrogen mixtures, the LOI is 0.12 and 0.15 for methanol and heptane, respectively. The LOI increases to approximately 0.14 (0.14 O 2/0.56 N 2/0.30 C O 2) and 0.17 (0.17 O 2/0.63 N 2/0.20 C O 2) for methanol and heptane, respectively, for ambient environments that simulated dispersing an inert-gas suppressant (carbon dioxide) into a nominally air (1.0 a t m) ambient environment. The LOI is approximately 0.14 and 0.15 for methanol and heptane, respectively, when helium is dispersed into air at 1 atm. The experiments also showed unique burning behavior for large heptane droplets. After the visible hot flame radiatively extinguished around a large heptane droplet, the droplet continued to burn with a cool flame. This phenomena was observed repeatably over a wide range of ambient conditions. These cool flames were invisible to the experiment imaging system but their behavior was inferred by the sustained quasi-steady burning after visible flame extinction. Verification of this new burning regime was established by both theoretical and numerical analysis of the experimental results. These innovative experiments have provided a wealth of new data for improving the understanding of droplet combustion and related aspects of fire safety, as well as offering important measurements that can be used to test sophisticated evolving computational models and theories of droplet combustion.

Low-cost high-efficiency GDCI engines for low octane fuels

DOEpatents

Kolodziej, Christopher P.; Sellnau, Mark C.

2018-01-09

A GDCI engine has a piston arranged within a cylinder to provide a combustion chamber. According to one embodiment, the GDCI engine operates using a method that includes the steps of supplying a hydrocarbon fuel to the combustion chamber with a research octane number in the range of about 30-65. The hydrocarbon fuel is injected in completely stratified, multiple fuel injections before a start of combustion and supplying a naturally aspirated air charge to the combustion chamber.

General Aviation Activity and Avionics Survey. Calendar Year 1989

DTIC Science & Technology

1989-01-01

gasoline, 76 million gallons were 100 octane gasoline, 237 million gallons were 100 octane low lead gasoline, and 11 million gallons were automobile ...0 CQI vH 0z Cl0) c 0 0 p. 0l 2: HRM -0 0 P4 E-4 E-4E- HD a. E-0H4 4 AH H H OH) ID IDIDa) Q a4 ) cn H l OH~ a) L) UI H 0~~~ H- 44 O 0 wwHwC. 4 H U la

Development and Assessment of Plant-Based Synthetic Odor Baits for Surveillance and Control of Malaria Vectors

PubMed Central

Nyasembe, Vincent O.; Tchouassi, David P.; Kirwa, Hillary K.; Foster, Woodbridge A.; Teal, Peter E. A.; Borgemeister, Christian; Torto, Baldwyn

2014-01-01

Background Recent malaria vector control measures have considerably reduced indoor biting mosquito populations. However, reducing the outdoor biting populations remains a challenge because of the unavailability of appropriate lures to achieve this. This study sought to test the efficacy of plant-based synthetic odor baits in trapping outdoor populations of malaria vectors. Methodology and Principal Finding Three plant-based lures ((E)-linalool oxide [LO], (E)-linalool oxide and (E)-β-ocimene [LO + OC], and a six-component blend comprising (E)-linalool oxide, (E)-β-ocimene, hexanal, β-pinene, limonene, and (E)-β-farnesene [Blend C]), were tested alongside an animal/human-based synthetic lure (comprising heptanal, octanal, nonanal, and decanal [Blend F]) and worn socks in a malaria endemic zone in the western part of Kenya. Mosquito Magnet-X (MM-X) and lightless Centre for Disease Control (CDC) light traps were used. Odor-baited traps were compared with traps baited with either solvent alone or solvent + carbon dioxide (controls) for 18 days in a series of randomized incomplete-block designs of days × sites × treatments. The interactive effect of plant and animal/human odor was also tested by combining LO with either Blend F or worn socks. Our results show that irrespective of trap type, traps baited with synthetic plant odors compared favorably to the same traps baited with synthetic animal odors and worn socks in trapping malaria vectors, relative to the controls. Combining LO and worn socks enhanced trap captures of Anopheles species while LO + Blend F recorded reduced trap capture. Carbon dioxide enhanced total trap capture of both plant- and animal/human-derived odors. However, significantly higher proportions of male and engorged female Anopheles gambiae s.l. were caught when the odor treatments did not include carbon dioxide. Conclusion and Significance The results highlight the potential of plant-based odors and specifically linalool oxide, with or without carbon dioxide, for surveillance and mass trapping of malaria vectors. PMID:24587059

Development and assessment of plant-based synthetic odor baits for surveillance and control of malaria vectors.

PubMed

Nyasembe, Vincent O; Tchouassi, David P; Kirwa, Hillary K; Foster, Woodbridge A; Teal, Peter E A; Borgemeister, Christian; Torto, Baldwyn

2014-01-01

Recent malaria vector control measures have considerably reduced indoor biting mosquito populations. However, reducing the outdoor biting populations remains a challenge because of the unavailability of appropriate lures to achieve this. This study sought to test the efficacy of plant-based synthetic odor baits in trapping outdoor populations of malaria vectors. Three plant-based lures ((E)-linalool oxide [LO], (E)-linalool oxide and (E)-β-ocimene [LO + OC], and a six-component blend comprising (E)-linalool oxide, (E)-β-ocimene, hexanal, β-pinene, limonene, and (E)-β-farnesene [Blend C]), were tested alongside an animal/human-based synthetic lure (comprising heptanal, octanal, nonanal, and decanal [Blend F]) and worn socks in a malaria endemic zone in the western part of Kenya. Mosquito Magnet-X (MM-X) and lightless Centre for Disease Control (CDC) light traps were used. Odor-baited traps were compared with traps baited with either solvent alone or solvent + carbon dioxide (controls) for 18 days in a series of randomized incomplete-block designs of days × sites × treatments. The interactive effect of plant and animal/human odor was also tested by combining LO with either Blend F or worn socks. Our results show that irrespective of trap type, traps baited with synthetic plant odors compared favorably to the same traps baited with synthetic animal odors and worn socks in trapping malaria vectors, relative to the controls. Combining LO and worn socks enhanced trap captures of Anopheles species while LO + Blend F recorded reduced trap capture. Carbon dioxide enhanced total trap capture of both plant- and animal/human-derived odors. However, significantly higher proportions of male and engorged female Anopheles gambiae s.l. were caught when the odor treatments did not include carbon dioxide. The results highlight the potential of plant-based odors and specifically linalool oxide, with or without carbon dioxide, for surveillance and mass trapping of malaria vectors.

Mass spectrometric monitoring of oxidation of aliphatic C6-C8 hydrocarbons and ethanol in low pressure oxygen and air plasmas.

PubMed

Usmanov, Dilshadbek T; Chen, Lee Chuin; Hiraoka, Kenzo; Wada, Hiroshi; Nonami, Hiroshi; Yamabe, Shinichi

2016-12-01

Experimental and theoretical studies on the oxidation of saturated hydrocarbons (n-hexane, cyclohexane, n-heptane, n-octane and isooctane) and ethanol in 28 Torr O 2 or air plasma generated by a hollow cathode discharge ion source were made. Ions corresponding to [M + 15] + and [M + 13] + in addition to [M - H] + and [M - 3H] + were detected as major ions where M is the sample molecule. The ions [M + 15] + and [M + 13] + were assigned as oxidation products, [M - H + O] + and [M - 3H + O] + , respectively. By the tandem mass spectrometry analysis of [M - H + O] + and [M - 3H + O] + , H 2 O, olefins (and/or cycloalkanes) and oxygen-containing compounds were eliminated from these ions. Ozone as one of the terminal products in the O 2 plasma was postulated as the oxidizing reagent. As an example, the reactions of C 6 H 14 +• with O 2 and of C 6 H 13 + (CH 3 CH 2 CH + CH 2 CH 2 CH 3 ) with ozone were examined by density functional theory calculations. Nucleophilic interaction of ozone with C 6 H 13 + leads to the formation of protonated ketone, CH 3 CH 2 C(=OH + )CH 2 CH 2 CH 3 . In air plasma, [M - H + O] + became predominant over carbocations, [M - H] + and [M - 3H] + . For ethanol, the protonated acetic acid CH 3 C(OH) 2 + (m/z 61.03) was formed as the oxidation product. The peaks at m/z 75.04 and 75.08 are assigned as protonated ethyl formate and protonated diethyl ether, respectively, and that at m/z 89.06 as protonated ethyl acetate. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Crystal structure of octane-1,8-diaminium 4,4′-(diazene-1,2-di­yl)dibenzoate monohydrate

PubMed Central

Elkin, Igor; Christopherson, Jan-Constantin; Borchers, Tristan H.; Barrett, Christopher J.

2018-01-01

The title salt, C8H22N2 2+·C14H8N2O4 2−·H2O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4′-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4′-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22 (4)°] and a water mol­ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C—C—C—N gauche conformation. In the crystal, the cations, anions and water mol­ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N—H⋯O and O—H⋯O hydrogen bonds. PMID:29850100

Emulsion Droplet Combustion in Microgravity: Water/Heptane Emulsions

NASA Technical Reports Server (NTRS)

Avedisian, C. Thomas

1997-01-01

This presentation reviews a series of experiments to further examine parametric effects on sooting processes of droplet flames in microgravity. The particular focus is on a fuel droplet emulsified with water, specifically emulsions of n-heptane as the fuel-phase and water as the dispersed phase. Water was selected as the additive because of its anticipated effect on soot formation, and the heptane fuel phase was chosen to theoretically reduce the likelihood of microexplosions because its boiling point is nearly the same as that of water: 100 C for water and 98 C for heptane. The water content was varied while the initial droplet diameter was kept within a small range. The experiments were carried out in microgravity to reduce the effects of buoyancy and to promote spherical symmetry in the burning process. Spherically symmetric droplet burning is a convenient starting point for analysis, but experimental data are difficult to obtain for this situation as evidenced by the fact that no quantitative data have been reported on unsupported emulsion droplet combustion in a convection-free environment. The present study improves upon past work carried out on emulsion droplet combustion in microgravity which employed emulsion droplets suspended from a fiber. The fiber can be instrusive to the emulsion droplet burning process as it can promote coalescence of the dispersed water phase and heterogeneous nucleation on the fiber. Prior work has shown that the presence of water in liquid hydrocarbons can have both beneficial and detrimental effects on the combustion process. Water is known to reduce soot formation and radiation heat transfer to combustor walls Gollahalli (1979) reduce flame temperatures and thereby NOx emissions, and encourage secondary droplet atomization or microexplosion. Water also tends to retard ignition and and promote early extinction. The former effect restricted the range of water volume fractions as discussed below.

Preferential methanogenic biodegradation of short-chain n-alkanes by microbial communities from two different oil sands tailings ponds.

PubMed

Mohamad Shahimin, Mohd Faidz; Foght, Julia M; Siddique, Tariq

2016-05-15

Oil sands tailings ponds harbor diverse anaerobic microbial communities capable of methanogenic biodegradation of solvent hydrocarbons entrained in the tailings. Mature fine tailings (MFT) from two operators (Albian and CNRL) that use different extraction solvents were incubated with mixtures of either two (n-pentane and n-hexane) or four (n-pentane, n-hexane, n-octane and n-decane) n-alkanes under methanogenic conditions for ~600 d. Microbes in Albian MFT began methane production by ~80 d, achieving complete depletion of n-pentane and n-hexane in the two-alkane mixture and their preferential biodegradation in the four-alkane mixture. Microbes in CNRL MFT preferentially metabolized n-octane and n-decane in the four-alkane mixture after a ~80 d lag but exhibited a lag of ~360 d before commencing biodegradation of n-pentane and n-hexane in the two-alkane mixture. 16S rRNA gene pyrosequencing revealed Peptococcaceae members as key bacterial n-alkane degraders in all treatments except CNRL MFT amended with the four-alkane mixture, in which Anaerolineaceae, Desulfobacteraceae (Desulfobacterium) and Syntrophaceae (Smithella) dominated during n-octane and n-decane biodegradation. Anaerolineaceae sequences increased only in cultures amended with the four-alkane mixture and only during n-octane and n-decane biodegradation. The dominant methanogens were acetoclastic Methanosaetaceae. These results highlight preferential n-alkane biodegradation by microbes in oil sands tailings from different producers, with implications for tailings management and reclamation. Copyright © 2016 Elsevier B.V. All rights reserved.

Odor Detection by Humans of Lineal Aliphatic Aldehydes and Helional as Gauged by Dose–Response Functions

PubMed Central

Abraham, Michael H.

2010-01-01

We have measured concentration detection (i.e., psychometric) functions to determine the odor detectability of homologous aliphatic aldehydes (propanal, butanal, hexanal, octanal, and nonanal) and helional. Subjects (16 ≤ n ≤ 18) used a 3-alternative forced-choice procedure against carbon-filtered air (blanks), under an ascending concentration approach. Generation, delivery, and control of each vapor were achieved via an 8-station vapor delivery device. Gas chromatography served to quantify the concentrations presented. Group and individual functions were modeled by a sigmoid (logistic) equation. Odor detection thresholds (ODTs) were defined as the concentration producing a detectability (P) halfway (P = 0.5) between chance (P = 0.0) and perfect detection (P = 1.0). ODTs decreased with carbon chain length: 2.0, 0.46, 0.33, and 0.17 ppb, respectively, from propanal to octanal, but the threshold increased for nonanal (0.53 ppb), revealing maximum sensitivity for the 8-carbon member. The strong olfactory receptor (OR) ligands octanal and helional (0.14 ppb) showed the lowest thresholds. ODTs fell at the lower end of previously reported values. Interindividual variability (ODT ratios) amounted to a factor ranging from 10 to 50, lower than typically reported, and was highest for octanal and hexanal. The behavioral dose–response functions emerge at concentrations 2–5 orders of magnitude lower than those required for functions tracing the activation of specific human ORs by the same aldehydes in cell/molecular studies, after all functions were expressed as vapor concentrations. PMID:20190010

Catalyseur d'hydrocraquage à base de sulfure de NiMo déposé sur une zéolithe HEMT modifiée

NASA Astrophysics Data System (ADS)

Baalala, M.; Becue, T.; Leglise, J.; Manoli, J. M.; van Gestel, J. N. M.; Lamotte, J.; Bensitel, M.; Goupil, J. M.; Cornet, D.

1999-02-01

Treating a NH4EMT zeolite with a solution of (NH4)2SiF6 at 80 °C affords a solid containing amorphous SiO2 intimately mixed with the zeolite. This acidic support EMT-Si was loaded with NiMo sulfide in order to prepare a bifunctional catalyst, which was tested for the hydrogenation of benzene and the hydrocracking of n-heptane. This NiMo/EMT-Si catalyst was found more active for hydrogenation than the analogous NiMo/HY. This is ascribed to a higher dispersion of the NiMo sulfide, which is almost equally shared between the internal mesopores in the modified EMT solid, and the fissures, which were created throughout the zeolite grains upon inserting the NiMo sulfide. The catalyst with the EMT-Si support was also found more active than the NiMo/HY for the hydrocracking of heptane, with a slightly higher selectivity into heptane isomers. Le traitement d'une zéolithe NH4EMT par une solution de (NH4)2SiF6 fournit un solide comportant une phase SiO2 amorphe intimement mélangée aux parties intactes de la zéolithe. Sur ce support acide EMT-Si, on a greffé un sulfure de NiMo afin de préparer un catalyseur bifonctionnel qui a été testé dans les réactions d'hydrogénation du benzène et d'hydrocraquage du n-heptane. Ce catalyseur NiMo/EMT-Si s'avère plus actif en hydrogénation que son analogue NiMo/HY, en raison d'une meilleure dispersion du sulfure de NiMo. Sur le solide EMT modifié, le sulfure se répartit à peu près également entre les mésopores internes et les fissures crées dans les grains de zéolithe lors de l'insertion du sulfure de NiMo. Au contraire sur le support Y, une partie du sulfure est externe aux grains de zéolithe et inactive en catalyse. Le catalyseur NiMo/EMT-Si est aussi trouvé plus actif que le NiMo/HY en hydrocraquage du n-heptane, et un peu plus sélectif en isomères.

Dissolution of di-2-ethylhexyl phosphates of ree in an octane + octanol mixture under the influence of gaseous ammonia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trifonov, Y.I.; Legin, E.K.; Suglobov, D.N.

1986-03-01

The authors find that the solubility of di-2-ethylhexyl phosphates rises considerably under the influence of gaseous ammonia on the solvent-LnA/sub 3/ system when a mixture of octane and octanol is used as solvent. The dissolving power of ammonia rises with alcohol concentration and attains the maximum at an alcohol content of ca 20 vol. %. An equation is presented that describes the dependence of the LnA/sub 3/ solubility on the partial amonia pressure.

Phase equilibria in a system of aqueous arginine with an octane solution of sulfonic acid

NASA Astrophysics Data System (ADS)

Kuvaeva, Z. I.; Koval'chuk, I. V.; Vodop'yanova, L. A.; Soldatov, V. S.

2013-05-01

The extraction of arginine (Arg) from aqueous salt (0.1 M NaCl) solutions with a sulfo extractant in a wide range of pH values and amino acid concentrations was studied. The 0.1 M solution of dinonylnaphthalenesulfonic acid (HD) in octane was used as an extractant. The degree of extraction was found to be high at pH 0.8-9.0. This can be explained by the effect of additional intermolecular interactions in the extractant phase involving the guanidine group of Arg.

Influence of amino acid residues near the active site of cytochrome P450 from Bacillus megaterium on the selectivity of n-octane oxidation to octanol regioisomers

NASA Astrophysics Data System (ADS)

Miyaji, Akimitsu; Baba, Toshihide

2017-09-01

A mutant of cytochrome P450 from Bacillus megaterium (CYP450BM-3) was prepared by replacing two alanine residues around active site of the enzyme, alanine 328 and alanine 82, with leucine and tryptophan, respectively. The CYP450BM-3 mutant produced 2-octanol selectively from n-octane under atmospheric temperature and pressure; its selectivity was 74%. Furthermore, the mutant produced 1-octanol, which is not produced by wild-type enzyme.

Evaluation of films for packaging applications in high pressure processing

NASA Astrophysics Data System (ADS)

Largeteau, A.; Angulo, I.; Coulet, J. P.; Demazeau, G.

2010-03-01

Food treatments implying high pressures used pre-packaging systems; consequently it appeared necessary to validate different packaging films able to be used in such processes. Two different packaging films from AMCOR FLEXIBLES have been evaluated: VIROFLEXAL: BOLSA 80 MICRAS, coextrusion PA/PE (20/60μm) RILTHENE: SEMI 20/60 MICRAS, laminate PA/PE (20/60μm) Three different physico-chemical characterizations have been developed for the evaluation of films behaviour after High Hydrostatic Pressure (HHP): (i) Mechanical properties (tensile strength and sealing strength), (ii) Oxygen permeability, (iii) Migration, through the contact with four food simulating liquids FSLs (water, acetic acid 3%, ethyl alcohol 10%, iso-octane). Two different pressures values (P = 400MPa and 500MPa) have been tested, with a duration of 15 min, at ambient temperature (+20°C) and only one pressure (P = 200MPa) for the experiments at low temperature (T = -20°C) with the same duration (15min). The selection of such values can be justified taking into account that experimental conditions as a temperature close to +20°C and a pressure between 400 and 500MPa are appropriated to inactivate bacteria and different others micro-organisms. Due to the efficiency of the association of hydrostatic pressure processing and low temperature (HHP/LT) [1, 2], the same films have been tested under high pressure processing (200MPa) but at negative temperature (-20°C).

Concentrations in human blood of petroleum hydrocarbons associated with the BP/Deepwater Horizon oil spill, Gulf of Mexico.

PubMed

Sammarco, Paul W; Kolian, Stephan R; Warby, Richard A F; Bouldin, Jennifer L; Subra, Wilma A; Porter, Scott A

2016-04-01

During/after the BP/Deepwater Horizon oil spill, cleanup workers, fisherpersons, SCUBA divers, and coastal residents were exposed to crude oil and dispersants. These people experienced acute physiological and behavioral symptoms and consulted a physician. They were diagnosed with petroleum hydrocarbon poisoning and had blood analyses analyzed for volatile organic compounds; samples were drawn 5-19 months after the spill had been capped. We examined the petroleum hydrocarbon concentrations in the blood. The aromatic compounds m,p-xylene, toluene, ethylbenzene, benzene, o-xylene, and styrene, and the alkanes hexane, 3-methylpentane, 2-methylpentane, and iso-octane were detected. Concentrations of the first four aromatics were not significantly different from US National Health and Nutritional Examination Survey/US National Institute of Standards and Technology 95th percentiles, indicating high concentrations of contaminants. The other two aromatics and the alkanes yielded equivocal results or significantly low concentrations. The data suggest that single-ring aromatic compounds are more persistent in the blood than alkanes and may be responsible for the observed symptoms. People should avoid exposure to crude oil through avoidance of the affected region, or utilizing hazardous materials suits if involved in cleanup, or wearing hazardous waste operations and emergency response suits if SCUBA diving. Concentrations of alkanes and PAHs in the blood of coastal residents and workers should be monitored through time well after the spill has been controlled.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Splitter, Derek A; Szybist, James P

The present study experimentally investigates spark-ignited combustion with 87 AKI E0 gasoline in its neat form and in mid-level alcohol-gasoline blends with 24% vol./vol. iso-butanol-gasoline (IB24) and 30% vol./vol. ethanol-gasoline (E30). A single-cylinder research engine is used with a low and high compression ratio of 9.2:1 and 11.85:1 respectively. The engine is equipped with hydraulically actuated valves, laboratory intake air, and is capable of external exhaust gas recirculation (EGR). All fuels are operated to full-load conditions with =1, using both 0% and 15% external cooled EGR. The results demonstrate that higher octane number bio-fuels better utilize higher compression ratios withmore » high stoichiometric torque capability. Specifically, the unique properties of ethanol enabled a doubling of the stoichiometric torque capability with the 11.85:1 compression ratio using E30 as compared to 87 AKI, up to 20 bar IMEPg at =1 (with 15% EGR, 18.5 bar with 0% EGR). EGR was shown to provide thermodynamic advantages with all fuels. The results demonstrate that E30 may further the downsizing and downspeeding of engines by achieving increased low speed torque, even with high compression ratios. The results suggest that at mid-level alcohol-gasoline blends, engine and vehicle optimization can offset the reduced fuel energy content of alcohol-gasoline blends, and likely reduce vehicle fuel consumption and tailpipe CO2 emissions.« less

A counterflow diffusion flame study of branched octane isomers

DOE PAGES

Sarathy, S. Mani; Niemann, Ulrich; Yeung, Coleman; ...

2012-09-25

Conventional petroleum, Fischer–Tropsch (FT), and other alternative hydrocarbon fuels typically contain a high concentration of lightly methylated iso-alkanes. However, until recently little work has been done on this important class of hydrocarbon components. In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a high temperature skeletal chemical kinetic model. The skeletal model is generated from a detailed modelmore » reduced using the directed relation graph with expert knowledge (DRG-X) methodology. The proposed skeletal model contains sufficient chemical fidelity to accurately predict the experimental speciation data in flames. The predictions are compared to elucidate the effects of number and location of the methyl substitutions. The location is found to have little effect on ignition and extinction in these counterflow diffusion flames. However, increasing the number of methyl substitutions was found to inhibit ignition and promote extinction. Chemical kinetic modelling simulations were used to correlate a fuel’s extinction propensity with its ability to populate the H radical concentration. In conclusion, species composition measurements indicate that the location and number of methyl substitutions was found to particularly affect the amount and type of alkenes observed.« less

Experimental and numerical studies of burning velocities and kinetic modeling for practical and surrogate fuels

NASA Astrophysics Data System (ADS)

Zhao, Zhenwei

To help understand the fuel oxidation process in practical combustion environments, laminar flame speeds and high temperature chemical kinetic models were studied for several practical fuels and "surrogate" fuels, such as propane, dimethyl ether (DME), and primary reference fuel (PRF) mixtures, gasoline and n-decane. The PIV system developed for the present work is described. The general principles for PIV measurements are outlined and the specific considerations are also reported. Laminar flame speeds were determined for propane/air over a range of equivalence ratios at initial temperature of 298 K, 500 K and 650 K and atmospheric pressure. Several data sets for propane/air laminar flame speeds with N 2 dilution are also reported. These results are compared to the literature data collected at the same conditions. The propane flame speed is also numerically calculated with a detailed kinetic model and multi component diffusion, including Soret effects. This thesis also presents experimentally determined laminar flame speeds for primary reference fuel (PRF) mixtures of n-heptane/iso-octane and real gasoline fuel at different initial temperature and at atmospheric pressure. Nitrogen dilution effects on the laminar flame speed are also studied for selected equivalence ratios at the same conditions. A minimization of detailed kinetic model for PRF mixtures on laminar flame speed conditions was performed and the measured flame speeds were compared with numerical predictions using this model. The measured laminar flame speeds of n-decane/air mixtures at 500 K and at atmospheric pressure with and without dilution were determined. The measured flame speeds are significantly different that those predicted using existing published kinetic models, including a model validated previously against high temperature data from flow reactor, jet-stirred reactor, shock tube ignition delay, and burner stabilized flame experiments. A significant update of this model is described which continues to predict the earlier validation experiments as well as the newly acquired laminar flame speed data and other recently published shock tube ignition delay measurements. A high temperature decomposition and oxidation model based on a hierarchical nature of reacting systems to reflect the new development in the small molecule and radical kinetics and thermochemistry and to evaluate recent measurements of DME laminar flame speeds is developed. The, thermal decomposition of DME was studied theoretically by using the RRKM/master equation approach and the high temperature model was then compared with the literature experimental data. The new model predicts well high temperature flow reactor data, high temperature shock tube ignition delays, and the species profiles from the burner-stabilized flames. Predictions of laminar flame speed and jet-stirred reactor data also reasonably agree with the available experimental data. The remaining uncertainties that need to be addressed for further model improvement will also be discussed. This thesis also presents a novel temperature-dependent feature sensitivity analysis methodology for combustion modeling. The obtained information is demonstrated to be of critical relevance in optimizing complex reaction schemes against multiple experimental targets. Applications of the presented approach are not limited to sensitivities with respect to reaction rate coefficients; the method can also be used to investigate any temperature-dependent property of interest (such as binary diffusion coefficients). This application is also demonstrated in this thesis.

Research on the effect of wall corrosion and rim seal on the withdrawal loss for a floating roof tank.

PubMed

Wang, Yongqiang; Liu, Minmin; Liu, Fang; Zhao, Chaocheng; Zhao, Dongfeng; Han, Fenglei; Liu, Chunshuang

2018-04-25

Storage tanks are important parts of volatile organic compound (VOC) fugitive emission sources of the petrochemical industry; the floating roof tank is the main oil storage facility at present. Based on the mechanism of withdrawal loss and the type of rim seal, octane and gasoline were taken as the research objects. A model instrument for simulating the oil loading process by the 316 stainless steel and A3 carbon steel as the test piece was designed, and the film thickness was measured by wet film thickness gauge to investigate the influence of the corrosion of the tank wall and rim seal on the withdrawal loss for floating roof tanks. It was found that withdrawal loss was directly proportional to the shell factor, and the oil thickness of the octane and gasoline increased with the strength of the wall corrosion with the same wall material and rim seal. Compared with the untreated test piece, the oil film thickness of the octane/gasoline was increased by 7.04~8.57 μm/13.14~21.93 μm and 5.59~11.49 μm/11.61~25.48 μm under the corrosion of hydrochloric acid for 32 and 75 h, respectively. The oil film thickness of octane and gasoline decreased with the increasing of the rim seal, and the oil film thickness of the octane decreased by 11.97~28.90% and 37.32~73.83% under the resilient-filled seal and the double seal, respectively. The gasoline dropped by 11.97~31.18% and 45.98~75.34% under the resilient-filled seal and the double seal, respectively. In addition, the tank surface roughness reduced the compression of the rim seal on the tank wall, and the effect of scraping decreased. The API withdrawal loss formula for a floating roof tank was recommended to take into account the effect of the rim seal to improve the accuracy of the loss evaluation. Finally, some measures of reducing the withdrawal loss were proposed.

Compression-ignition engine performance with undoped and doped fuel oils and alcohol mixtures

NASA Technical Reports Server (NTRS)

Moore, Charles S; Foster, Hampton H

1939-01-01

Several fuel oils, doped fuel oils, and mixtures of alcohol and fuel oil were tested in a high-speed, single-cylinder, compression-ignition engine to determine power output, fuel consumption, and ignition and combustion characteristics. Fuel oils or doped fuel oils of high octane number had shorter ignition lags, lower rates of pressure rise, and gave smoother engine operation than fuel oils or doped fuel oils of low octane number. Higher engine rotative speeds and boost pressures resulted in smoother engine operation and permitted the use of fuel oils of relatively low octane number. Although the addition of a dope to a fuel oil decreased the ignition lag and the rate of pressure rise, the ensuing rate of combustion was somewhat slower than for the undoped fuel oil so that the effectiveness of combustion was practically unchanged. Alcohol used as an auxiliary fuel, either as a mixture or by separate injection, increased the rates of pressure rise and induced roughness. In general, the power output decreased as the proportion of alcohol increased and, below maximum power, varied with the heating value of the total fuel charge.

Synthesis, structural and conformational study of some esters derived from 3-methyl-3-azabicyclo[3.2.1]octan-8(α and β)-ols

NASA Astrophysics Data System (ADS)

Iriepa, I.; Bellanato, J.

2014-09-01

A series of α and β-esters bearing a 3-methyl-3-azabicyclo[3.2.1]octane moiety as well as methyl and aryl substituents were synthesized and studied by 1H and 13C NMR spectroscopies. In CDCl3 solution, at room temperature, a chair-envelope conformation for the bicycle moiety with the N-CH3 group in equatorial position with respect to the chair ring is proposed for both, α and β-esters. The chair conformation of the piperidine ring is puckered at C8 in the α-epimers and it is flattened at N3, in the β-epimers. Free rotation of the acyloxy group around the C8sbnd O bond has also been deduced. Analgesic activity of four of these substances was studied. 8β-Benzoyloxy-3-methyl-3-azabicyclo[3.2.1]octane demonstrated significant analgesic activity in the hot plate test compared to morphine. By measuring the rectal temperature in mice, results also showed a significant antipyretic activity of this compound.

3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists

NASA Astrophysics Data System (ADS)

Zhang, Xin; Zhang, Hui

2018-07-01

Dopamine D3 receptor has become an attractive target in the treatment of abused drugs. 3D-QSAR studies were performed on a novel series of D3 receptor antagonists, 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes, using CoMFA and CoMSIA methods. Two predictive 3D-QSAR models have been generated for the modified design of D3R antagonists. Based on the steric, electrostatic, hydrophobic and hydrogen-bond acceptor information of contour maps, key structural factors affecting the bioactivity were explored. This work gives helpful suggestions on the design of novel D3R antagonists with increased activities.

An unusual Michael-induced skeletal rearrangement of a bicyclo[3.3.1]nonane framework of phloroglucinols to a novel bioactive bicyclo[3.3.0]octane.

PubMed

Vidali, Veroniki P; Mitsopoulou, Kornilia P; Dakanali, Marianna; Demadis, Konstantinos D; Odysseos, Andreani D; Christou, Yiota A; Couladouros, Elias A

2013-11-01

A novel skeletal rearrangement of bicyclo[3.3.1]nonane-2,4,9-trione (16) to an unprecedented highly functionalized bicyclo[3.3.0]octane system (17), induced by an intramolecular Michael addition, is presented. This novel framework was found to be similarly active to hyperforin (1), against PC-3 cell lines. A mechanistic study was examined in detail, proposing a number of cascade transformations. Also, reactivity of the Δ(7,10)-double bond was examined under several conditions to explain the above results.

Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunn, Nicholas J. H.; Noid, W. G., E-mail: wnoid@chem.psu.edu

This work investigates the promise of a “bottom-up” extended ensemble framework for developing coarse-grained (CG) models that provide predictive accuracy and transferability for describing both structural and thermodynamic properties. We employ a force-matching variational principle to determine system-independent, i.e., transferable, interaction potentials that optimally model the interactions in five distinct heptane-toluene mixtures. Similarly, we employ a self-consistent pressure-matching approach to determine a system-specific pressure correction for each mixture. The resulting CG potentials accurately reproduce the site-site rdfs, the volume fluctuations, and the pressure equations of state that are determined by all-atom (AA) models for the five mixtures. Furthermore, we demonstratemore » that these CG potentials provide similar accuracy for additional heptane-toluene mixtures that were not included their parameterization. Surprisingly, the extended ensemble approach improves not only the transferability but also the accuracy of the calculated potentials. Additionally, we observe that the required pressure corrections strongly correlate with the intermolecular cohesion of the system-specific CG potentials. Moreover, this cohesion correlates with the relative “structure” within the corresponding mapped AA ensemble. Finally, the appendix demonstrates that the self-consistent pressure-matching approach corresponds to minimizing an appropriate relative entropy.« less

Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures.

PubMed

Dunn, Nicholas J H; Noid, W G

2016-05-28

This work investigates the promise of a "bottom-up" extended ensemble framework for developing coarse-grained (CG) models that provide predictive accuracy and transferability for describing both structural and thermodynamic properties. We employ a force-matching variational principle to determine system-independent, i.e., transferable, interaction potentials that optimally model the interactions in five distinct heptane-toluene mixtures. Similarly, we employ a self-consistent pressure-matching approach to determine a system-specific pressure correction for each mixture. The resulting CG potentials accurately reproduce the site-site rdfs, the volume fluctuations, and the pressure equations of state that are determined by all-atom (AA) models for the five mixtures. Furthermore, we demonstrate that these CG potentials provide similar accuracy for additional heptane-toluene mixtures that were not included their parameterization. Surprisingly, the extended ensemble approach improves not only the transferability but also the accuracy of the calculated potentials. Additionally, we observe that the required pressure corrections strongly correlate with the intermolecular cohesion of the system-specific CG potentials. Moreover, this cohesion correlates with the relative "structure" within the corresponding mapped AA ensemble. Finally, the appendix demonstrates that the self-consistent pressure-matching approach corresponds to minimizing an appropriate relative entropy.

DNS study of the ignition of n-heptane fuel spray under high pressure and lean conditions

NASA Astrophysics Data System (ADS)

Wang, Yunliang; Rutland, Christopher J.

2005-01-01

Direct numerical simulations (DNS) are used to investigate the ignition of n-heptane fuel spray under high pressure and lean conditions. For the solution of the carrier gas fluid, the Eulerian method is employed, while for the fuel spray, the Lagrangian method is used. A chemistry mechanism for n-heptane with 33 species and 64 reactions is adopted to describe the chemical reactions. Initial carrier gas temperature and pressure are 926 K and 30.56 atmospheres, respectively. Initial global equivalence ratio is 0.258. Two cases with droplet radiuses of 35.5 and 20.0 macrons are simulated. Evolutions of the carrier gas temperature and species mass fractions are presented. Contours of the carrier gas temperature and species mass fractions near ignition and after ignition are presented. The results show that the smaller fuel droplet case ignites earlier than the larger droplet case. For the larger droplet case, ignition occurs first at one location; for the smaller droplet case, however, ignition occurs first at multiple locations. At ignition kernels, significant NO is produced when temperature is high enough at the ignition kernels. For the larger droplet case, more NO is produced than the smaller droplet case due to the inhomogeneous distribution and incomplete mixing of fuel vapor.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit

This report was developed as part of the U.S. Department of Energy’s Bioenergy Technologies Office’s (BETO’s) efforts to enable the development of technologies for the production of infrastructure-compatible, cost-competitive liquid hydrocarbon fuels from lignocellulosic biomass feedstocks. The research funded by BETO is designed to advance the state of technology of biomass feedstock supply and logistics, conversion, and overall system sustainability. It is expected that these research improvements will be made within the 2022 timeframe. As part of their involvement in this research and development effort, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory investigate the economics ofmore » conversion pathways through the development of conceptual biorefinery process models and techno-economic analysis models. This report describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas or syngas via indirect gasification, gas cleanup, catalytic conversion of syngas to methanol intermediate, methanol dehydration to dimethyl ether (DME), and catalytic conversion of DME to high-octane, gasoline-range hydrocarbon blendstock product. The conversion process configuration leverages technologies previously advanced by research funded by BETO and demonstrated in 2012 with the production of mixed alcohols from biomass. Biomass-derived syngas cleanup via reforming of tars and other hydrocarbons is one of the key technology advancements realized as part of this prior research and 2012 demonstrations. The process described in this report evaluates a new technology area for the downstream utilization of clean biomass-derived syngas for the production of high-octane hydrocarbon products through methanol and DME intermediates. In this process, methanol undergoes dehydration to DME, which is subsequently converted via homologation reactions to high-octane, gasoline-range hydrocarbon products.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit

This paper describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economicmore » analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an nth-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ratcliff, Matthew A.; Burton, Jonathan; Sindler, Petr

Several high octane number oxygenates that could be derived from biomass were blended with gasoline and examined for performance properties and their impact on knock resistance and fine particle emissions in a single cylinder direct-injection spark-ignition engine. The oxygenates included ethanol, isobutanol, anisole, 4-methylanisole, 2-phenylethanol, 2,5-dimethyl furan, and 2,4-xylenol. These were blended into a summertime blendstock for oxygenate blending at levels ranging from 10 to 50 percent by volume. The base gasoline, its blends with p-xylene and p-cymene, and high-octane racing gasoline were tested as controls. Relevant gasoline properties including research octane number (RON), motor octane number, distillation curve, andmore » vapor pressure were measured. Detailed hydrocarbon analysis was used to estimate heat of vaporization and particulate matter index (PMI). Experiments were conducted to measure knock-limited spark advance and particulate matter (PM) emissions. The results show a range of knock resistances that correlate well with RON. Molecules with relatively low boiling point and high vapor pressure had little effect on PM emissions. In contrast, the aromatic oxygenates caused significant increases in PM emissions (factors of 2 to 5) relative to the base gasoline. Thus, any effect of their oxygen atom on increasing local air-fuel ratio was outweighed by their low vapor pressure and high double-bond equivalent values. For most fuels and oxygenate blend components, PMI was a good predictor of PM emissions. However, the high boiling point, low vapor pressure oxygenates 2-phenylethanol and 2,4-xylenol produced lower PM emissions than predicted by PMI. This was likely because they did not fully evaporate and combust, and instead were swept into the lube oil.« less

Transport properties of nonelectrolyte liquid mixtures—III. Viscosity coefficients for n-octane, n-dodecane, and equimolar mixtures of n-octane + n-dodecane and n-hexane + n-dodecane from 25 to 100°C at pressures up to the freezing pressure or 500 MPa

NASA Astrophysics Data System (ADS)

Dymond, J. H.; Robertson, J.; Isdale, J. D.

1981-06-01

Viscosity coefficients measured with an estimated accuracy of 2% using a new design of self-centering falling body viscometer are reported for n-octane, n-dodecane, and equimolar mixtures of n-octane + n-dodecane and n-hexane + n-dodecane at 25, 50, 75, and 100°C at pressures up to the freezing pressure or 500 MPa. The data for a given composition at different temperatures and pressures are very satisfactorily correlated by a plot of ή, defined as 104ηV2/3/( MT)1/2 in the cgs system of units or, generally, 9.118×107ηV2/3/( MRT)1/2, versus log V', where V' = V · V 0( T R)/ V 0( T) and V 0 represents the close-packed volume at temperature T and reference temperature T R. The experimental results are fitted, generally well within the estimated uncertainty, by the equation 10765_2004_Article_BF00503937_TeX2GIFE1.gif ln η ' = - 1.0 + {BV_0 }/{V - V_0 } , where B and V 0 are temperature and composition dependent. Values of B and V 0 for the mixtures are simply related to values for the pure liquids. The binary mixing rule of Grunberg and Nissan is investigated. Values of the mixing parameter G are positive, tend to increase with increases in pressure, and also increase with increases in difference in carbon number of the two pure components.

Binary chromatographic data and estimation of adsorbent porosities. [data for system n-heptane/n-pentane

NASA Technical Reports Server (NTRS)

Meisch, A. J.

1972-01-01

Data for the system n-pentane/n-heptane on porous Chromosorb-102 adsorbent were obtained at 150, 175, and 200 C for mixtures containing zero to 100% n-pentane by weight. Prior results showing limitations on superposition of pure component data to predict multicomponent chromatograms were verified. The thermodynamic parameter MR0 was found to be a linear function of sample composition. A nonporous adsorbent failed to separate the system because of large input sample dispersions. A proposed automated data processing scheme involving magnetic tape recording of the detector signals and processing by a minicomputer was rejected because of resolution limitations of the available a/d converters. Preliminary data on porosity and pore size distributions of the adsorbents were obtained.

6-Azabicyclo[3.2.1]octanes Via Copper-Catalyzed Enantioselective Alkene Carboamination

PubMed Central

Casavant, Barbara J.; Hosseini, Azade S.

2014-01-01

Bridged bicyclic rings containing nitrogen heterocycles are important motifs in bioactive small organic molecules. An enantioselective copper-catalyzed alkene carboamination reaction that creates bridged heterocycles is reported herein. Two new rings are formed in this alkene carboamination reaction where N-sulfonyl-2-aryl-4-pentenamines are converted to 6-azabicyclo[3.2.1]octanes using [Ph-Box-Cu](OTf)2 or related catalysts in the presence of MnO2 as stoichiometric oxidant in moderate to good yields and generally excellent enantioselectivities. Two new stereocenters are formed in the reaction, and the C-C bond-forming arene addition is a net C-H functionalization. PMID:25484848

Aqua­[1,8-bis­(pyridin-2-yl)-3,6-dithia­octane-κ4 N,S,S′,N′]copper(II) dinitrate acetonitrile monosolvate

PubMed Central

Manzanera-Estrada, Mayra; Flores-Alamo, Marcos; Grevy M., Jean-Michel; Ruiz-Azuara, Lena; Ortiz-Frade, Luis

2012-01-01

In the title compound, [Cu(C16H20N2S2)(H2O)](NO3)2·CH3CN, the CuII atom displays a distorted square-pyramidal coordination, in which a water mol­ecule occupies the apical position and the basal plane is formed by two N atoms and two S atoms of a 1,8-bis­(pyridin-2-yl)-3,6-dithia­octane ligand. The crystal packing is stabilized by O—H⋯O and C—H⋯O hydrogen bonds. PMID:22346819

Distributed ignition method and apparatus for a combustion engine

DOEpatents

Willi, Martin L.; Bailey, Brett M.; Fiveland, Scott B.; Gong, Weidong

2006-03-07

A method and apparatus for operating an internal combustion engine is provided. The method comprises the steps of introducing a primary fuel into a main combustion chamber of the engine, introducing a pilot fuel into the main combustion chamber of the engine, determining an operating load of the engine, determining a desired spark plug ignition timing based on the engine operating load, and igniting the primary fuel and pilot fuel with a spark plug at the desired spark plug ignition timing. The method is characterized in that the octane number of the pilot fuel is lower than the octane number of the primary fuel.

PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor.

PubMed

Venkatesan, Aranapakam M; Chen, Zecheng; dos Santos, Osvaldo; Dehnhardt, Christoph; Santos, Efren Delos; Ayral-Kaloustian, Semiramis; Mallon, Robert; Hollander, Irwin; Feldberg, Larry; Lucas, Judy; Yu, Ker; Chaudhary, Inder; Mansour, Tarek S

2010-10-01

A series of mono-morpholino 1,3,5-triazine derivatives (8a-8q) bearing a 3-oxa-8-azabicyclo[3.2.1]octane were prepared and evaluated for PI3-kinase/mTOR activity. Replacement of one of the bis-morpholines in lead compound 1 (PKI-587) with 3-oxa-8-azabicyclo[3.2.1]octane and reduction of the molecular weight yielded 8m (PKI-179), an orally efficacious dual PI3-kinase/mTOR inhibitor. The in vitro activity, in vivo efficacy, and PK properties of 8m are discussed. Copyright © 2010. Published by Elsevier Ltd.

Process and catalyst for converting synthesis gas to liquid hydrocarbon mixture

DOEpatents

Rao, V. Udaya S.; Gormley, Robert J.

1987-01-01

Synthesis gas containing CO and H.sub.2 is converted to a high-octane hydrocarbon liquid in the gasoline boiling point range by bringing the gas into contact with a heterogeneous catalyst including, in physical mixture, a zeolite molecular sieve, cobalt at 6-20% by weight, and thoria at 0.5-3.9% by weight. The contacting occurs at a temperature of 250.degree.-300.degree. C., and a pressure of 10-30 atmospheres. The conditions can be selected to form a major portion of the hydrocarbon product in the gasoline boiling range with a research octane of more than 80 and less than 10% by weight aromatics.

Interpretation of third phase formation in the Th(IV)-HNO{sub3}, TBP-n-octane system with baxter's sticky spheres model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiarizia, R.; Jensen, M. P.; Borkowski, M.

2004-01-01

Small-angle neutron scattering (SANS) data for the tri-n-butylphosphate (TBP)-n-octane, HNO{sub 3}-Th(NO{sub 3}){sub 4} solvent extraction system, obtained under a variety of experimental conditions, have been interpreted using two different models. The particle growth model led to unrealistic results. The Baxter model for hard-spheres with surface adhesion, on the other hand, was more successful. According to this model, the increase in scattering intensity in the low Q range observed when increasing amounts of Th(NO{sub 3}){sub 4} are extracted into the organic phase, has been interpreted as arising from interactions between small reverse micelles containing three TBP molecules. Upon extraction of Th(NO{submore » 3}){sub 4}, the micelles interact through attractive forces between their polar cores with a potential energy of up to about 2 k{sub B}T. The intermicellar attraction, under suitable conditions, leads to third phase formation. Upon phase splitting, most of the solutes of the original organic phase separate in a continuous phase containing interspersed layers of n-octane.« less

Theoretical insights into aggregation-induced helicity modulation of a perylene bisimide derivative.

PubMed

Liang, Lijun; Li, Xin

2018-02-12

Formation of helical chiroptical self-assemblies via noncovalent interaction is a widely observed phenomenon in nature, the mechanism of which remains insufficiently understood. Employing an amphiphilic perylene-sugar dyad molecule (PBI-HAG) as an example, we report that the modulatable supramolecular helicity may emerge from an aggregating process that is dominated by competition between two types of noncovalent interaction: hydrogen bonding and π-π stacking. The interplay between these two driving forces, which is greatly affected by the solvent environment, determines the morphology the supramolecular assembly of PBI-HAGs. In particular, a non-layered supramolecular structure was formed in octane owing to stabilization effects of intermolecular hydrogen bonds, whereas a layered supramolecular structure was formed in water because of energetically favorable π-π stacking of aromatic rings. The formation of distinct supramolecular architectures in different solvents was reinforced by simulated circular dichroism spectra, which show opposite signals consistent with experimental observations. The results of this study could help us understand aggregation-induced supramolecular chirality of noncovalent self-assemblies. Graphical abstract Left Typical structures of amphiphilic perylene-sugar dyad (PBI-HAG) aggregates in different octane and water. Right Simulated CD and UV-Vis spectra of core PBIs aggregates in octane and water.

Synthesis and antibacterial activity of water-dispersible silver nanoparticles via micellar nanoreactors

NASA Astrophysics Data System (ADS)

Pofali, Prasad; Shirolikar, Seema; Borde, Lalit; Pattani, Aditya; Dandekar, Prajakta; Jain, Ratnesh

2018-04-01

We have synthesized silver nanoparticles (AgNPs) using micelles of sugar fatty acid ester by dissolving the surfactant in a mixture of iso-octane and n-butanol, with solid-liquid extraction. Highly concentrated, water-dispersible AgNPs were obtained after thorough washing with alcohol, to remove excess of sucrose fatty acid ester DK SS and salt, followed by drying. The particles were characterized for their size, morphology and crystallinity using UV-Visible spectrophotometry, Transmission Electron Microscopy and x-ray diffractometry. Antibacterial study, confirmed the activity of nanoparticles against E. coli, P. aeruginosa and S. aureus, which causes diseases including diarrhoea and several life-threatening infections. Antibacterial activity of E. coli and P. aeruginosa was found to be 2.5 fold and for S. aureus 1.6 fold compared to 50 ppm conc. of Silver Nitrate. Our method of producing nanoparticles is employed as a platform technology for synthesizing other inorganic nanoparticles. This is the first report discussing the use of micellar carriers for obtaining silver nanopowder, to the best of our knowledge, which has the potential to overcome limitations during fabrication of AgNPs using reverse/inverse micelles. Our method yielded nano-sized, water-dispersible AgNPs via an easy and economic approach. The one-pot approach possesses advantages in terms of cost and simplicity, as compared with traditional methods of producing powdered AgNPs using energy intensive and expensive techniques like lyophilisation. The developed method, thus, possesses immense potential for commercial synthesis of AgNPs.

Conformational flexibility of domain III of annexin V: the effect of pH and binding to membrane-water interfaces

NASA Astrophysics Data System (ADS)

Sopkova, Jana; Vincent, Michel; Takahashi, Maza; Lewit-Bentley, Anita; Gallay, Jacques

1999-05-01

Steady-state and time-resolved fluorescence of the single tryptophan residue (W187) of annexin V show that the conformation and the dynamics of domain III are strongly modified upon binding of the protein to negatively charged phospholipid vesicles in the presence of calcium, or upon incorporation into reverse micelles of water/sodium bis(2- ethylhexyl) sulfosuccinate (AOT) in iso-octane. In the protein at neutral pH, W187 is slightly mobile and buried in a hydrophobic pocket. It becomes more mobile and is moved in a more polar environment when the protein interacts with the model membranes. In each condition, the heterogeneity of the fluorescence intensity decay of W187 is likely due to the co- existence of local conformers with different dynamics. A similar change of conformation and dynamics can be provoked by mild acidic pH. This suggests that electrostatic interactions are important for the folding of domain III. An interplay of salt bridges implying charged amino-acid side-chains at the protein surface in domain III can be observed in the crystal structure. Local pH modifications at the membrane surface can therefore be responsible for the observed conformational change. The high flexibility of domain III in the membrane- bound protein suggests moreover that this domain may not be crucial for the interaction of the protein with the membrane, in agreement with recent atomic force microscope results (Reviakine et al., 1998, J. Struct. Biol. 121, 356-362).

Suppression of reaction during rapid compression and its effect on ignition delay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohamed, C.

1998-02-01

A single-shot, rapid compression machine has been used to investigate the effect of diethylamine (5 mol%) on the spontaneous ignition (or autoignition) of n-heptane and n-pentane in stoichiometric proportion in air ({psi} = 1.0). Autoignition delays were measured at compressed gas temperatures and pressures in the range 659--950 K and 9--11 atm, respectively. In addition to pressure-time data, the total light output from the chamber was recorded as a function of time using a photomultiplier positioned at the end window. Diethylamine retards the first stage of the two-stage ignition of n-heptane and n-pentane, causing a reduction in both the pressuremore » rise and the light intensity associated with the first (cool flame) stage. A longer duration of the second stage of ignition was measured. Consequently, an increase in ignition delay was observed for n-heptane throughout the temperature range 650--950 K, for which first-stage reactions persist in the compression stroke at temperatures above 850 K. The ignition delay of n-pentane was increased in the range 650--850 K by the addition of diethylamine, but was decreased at compressed gas temperatures greater than 850 K. The possible mechanisms of the inhibition of the first stage of autoignition and promotion of the second stage by diethylamine are outlined.« less

The effect of organic solvent, temperature and mixing time on the production of oil from Moringa oleifera seeds

NASA Astrophysics Data System (ADS)

Ghazali, Q.; Yasin, N. H. M.

2016-06-01

The effect of three different organic solvent, temperature and mixing time on the production of oil from M.oleifera seeds were studied to evaluate the effectiveness in obtaining the high oil yield based on the percentage of oil production. The modified version of Soxhlet extraction method was carried out to extract the oil from M.oleifera seeds by using hexane, heptane and ethanol as the organic solvent. Among the three solvents, it is found that heptane yield higher oil from M.oleifera seeds with maximum oil yield of 36.37% was obtained followed by hexane and ethanol with 33.89% and 18.46%, respectively. By using heptane as a solvent, the temperature (60oC, 70oC, 80oC) and mixing time (6 h, 7 h, and 8 h) were investigated to ensure the high oil yield over the experimental ranges employed and high oil yield was obtained at 600C for 6 h with percentage oil yield of 36.37%. The fatty acid compositions of M.oleifera seeds oil were analyzed using Gas Chromatography/Mass Spectrometry (GC-MS). The main components of fatty acid contained in the oil extracted from M.oleifera seeds was oleic acid, followed by palmitic acid and arachidic acid, and small amount of behenic acid and margaric acid.

Tolman lengths and rigidity constants of multicomponent fluids: Fundamental theory and numerical examples

NASA Astrophysics Data System (ADS)

Aasen, Ailo; Blokhuis, Edgar M.; Wilhelmsen, Øivind

2018-05-01

The curvature dependence of the surface tension can be described by the Tolman length (first-order correction) and the rigidity constants (second-order corrections) through the Helfrich expansion. We present and explain the general theory for this dependence for multicomponent fluids and calculate the Tolman length and rigidity constants for a hexane-heptane mixture by use of square gradient theory. We show that the Tolman length of multicomponent fluids is independent of the choice of dividing surface and present simple formulae that capture the change in the rigidity constants for different choices of dividing surface. For multicomponent fluids, the Tolman length, the rigidity constants, and the accuracy of the Helfrich expansion depend on the choice of path in composition and pressure space along which droplets and bubbles are considered. For the hexane-heptane mixture, we find that the most accurate choice of path is the direction of constant liquid-phase composition. For this path, the Tolman length and rigidity constants are nearly linear in the mole fraction of the liquid phase, and the Helfrich expansion represents the surface tension of hexane-heptane droplets and bubbles within 0.1% down to radii of 3 nm. The presented framework is applicable to a wide range of fluid mixtures and can be used to accurately represent the surface tension of nanoscopic bubbles and droplets.

Propellant vaporization as a criterion for rocket-engine design : experimental effect of fuel temperature on liquid-oxygen - heptane performance

NASA Technical Reports Server (NTRS)

Heidmann, M F

1957-01-01

Characteristic exhaust velocity of a 200-pound-thrust rocket engine was evaluated for fuel temperatures of -90 degrees, and 200 degrees f with a spray formed by two impinging heptane jets reacting in a highly atomized oxygen atmosphere. Tests covered a range of mixture ratios and chamber lengths. The characteristic exhaust-velocity efficiency increased 2 percent for a 290 degree f increase in fuel temperature. This increase in performance can be compared with that obtained by increasing chamber length by about 1/2 inch. The result agrees with the fuel-temperature effect predicted from an analysis based on droplet evaporation theory. Mixture ratio markedly affected characteristic exhaust velocity efficiency, but total flow rate and fuel temperature did not.

An efficient, second-generation synthesis of the signature dioxabicyclo[3.2.1]octane core of (+)-sorangicin A and elaboration of the (Z,Z,E)-triene acid system.

PubMed

Smith, Amos B; Dong, Shuzhi

2009-03-05

An efficient, second-generation synthesis of the signature dioxabicyclo[3.2.1]octane core of (+)-sorangicin A (1), in conjunction with an effective, stereocontrolled protocol to arrive at the requisite (Z,Z,E)-triene acid system has been developed. Highlights of the core construction entail a three-component union, a KHMDS-promoted epoxide ring formation-ring opening cascade, a Takai olefination, and a chemoselective Sharpless dihydroxylation. Assembly of the triene acid system was then achieved via Stille cross-coupling with the ethyl ester of (Z,Z)-5-tributylstannyl-2,4-pentadienoic acid, followed by mild hydrolysis preserving the triene configuration.

40 CFR Appendix A to Part 439 - Tables

Code of Federal Regulations, 2014 CFR

2014-07-01

... Isobutyraldehyde 1 Aldehydes. n-Heptane 1 Alkanes. n-Hexane 1 Diethylamine 1 Amines. Triethylamine Benzene... Methyl formate Tetrahydrofuran 1 Ethers. Isopropyl ether Acetone 1 Ketones. 4-Methyl-2-pentanone (MIBK...

40 CFR Appendix A to Part 439 - Tables

Code of Federal Regulations, 2012 CFR

2012-07-01

... Isobutyraldehyde 1 Aldehydes. n-Heptane 1 Alkanes. n-Hexane 1 Diethylamine 1 Amines. Triethylamine Benzene... Methyl formate Tetrahydrofuran 1 Ethers. Isopropyl ether Acetone 1 Ketones. 4-Methyl-2-pentanone (MIBK...

40 CFR Appendix A to Part 439 - Tables

Code of Federal Regulations, 2013 CFR

2013-07-01

... Isobutyraldehyde 1 Aldehydes. n-Heptane 1 Alkanes. n-Hexane 1 Diethylamine 1 Amines. Triethylamine Benzene... Methyl formate Tetrahydrofuran 1 Ethers. Isopropyl ether Acetone 1 Ketones. 4-Methyl-2-pentanone (MIBK...

Wetting in color: colorimetric differentiation of organic liquids with high selectivity.

PubMed

Burgess, Ian B; Koay, Natalie; Raymond, Kevin P; Kolle, Mathias; Lončar, Marko; Aizenberg, Joanna

2012-02-28

Colorimetric litmus tests such as pH paper have enjoyed wide commercial success due to their inexpensive production and exceptional ease of use. Expansion of colorimetry to new sensing paradigms is challenging because macroscopic color changes are seldom coupled to arbitrary differences in the physical/chemical properties of a system. Here we present in detail the design of a "Wetting In Color Kit" (WICK), an inexpensive and highly selective colorimetric indicator for organic liquids that exploits chemically encoded inverse-opal photonic crystals to project minute differences in liquids' wettability to macroscopically distinct, easy-to-visualize structural color patterns. We show experimentally and corroborate with theoretical modeling using percolation theory that the highly symmetric structure of our large-area, defect-free SiO(2) inverse-opal films leads to sharply defined threshold wettability for liquid infiltration, occurring at intrinsic contact angles near 20° with an estimated resolution smaller than 5°. The regular structure also produces a bright iridescent color, which disappears when infiltrated with liquid, naturally coupling the optical and fluidic responses. To deterministically design a WICK that differentiates a broad range of liquids, we introduced a nondestructive quality control procedure to regulate the pore structure and developed two new surface modification protocols, both requiring only silanization and selective oxidation. The resulting tunable, built-in horizontal and vertical chemistry gradients let us tailor the wettability threshold to specific liquids across a continuous range. With patterned oxidation as a final step, we control the shape of the liquid-specific patterns displayed, making WICK easier to read. Using these techniques, we demonstrate the applicability of WICKs in several exemplary systems that colorimetrically distinguish (i) ethanol-water mixtures varying by only 2.5% in concentration; (ii) methanol, ethanol, and isopropyl alcohol; (iii) hexane, heptane, octane, nonane, and decane; and (iv) samples of gasoline (regular unleaded) and diesel. As wetting is a generic fluidic phenomenon, we envision that WICK could be suitable for applications in authentication or identification of unknown liquids across a broad range of industries.

Relative Sustainability of Natural Gas Assisted High-Octane Gasoline Blendstock Production from Biomass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric C; Zhang, Yi Min; Cai, Hao

Biomass-derived hydrocarbon fuel technologies are being developed and pursued for better economy, environment, and society benefits underpinning the sustainability of transportation energy. Increasing availability and affordability of natural gas (NG) in the US can play an important role in assisting renewable fuel technology development, primarily in terms of economic feasibility. When a biorefinery is co-processing NG with biomass, the current low cost of NG coupled with the higher NG carbon conversion efficiency potentially allow for cost competitiveness of the fuel while achieving a minimum GHG emission reduction of 50 percent or higher compared to petroleum fuel. This study evaluates themore » relative sustainability of the production of high-octane gasoline blendstock via indirect liquefaction (IDL) of biomass (and with NG co-feed) through methanol/dimethyl ether intermediates. The sustainability metrics considered in this study include minimum fuel selling price (MFSP), carbon conversion efficiency, life cycle GHG emissions, life cycle water consumption, fossil energy return on investment (EROI), GHG emission avoidance cost, and job creation. Co-processing NG can evidently improve the MFSP. Evaluation of the relative sustainability can shed light on the biomass-NG synergistic impacts and sustainability trade-offs associated with the IDL as high-octane gasoline blendstock production.« less

From astronomy and telecommunications to biomedicine

NASA Astrophysics Data System (ADS)

Behr, Bradford B.; Baker, Scott A.; Bismilla, Yusuf; Cenko, Andrew T.; DesRoches, Brandon; Hajian, Arsen R.; Meade, Jeffrey T.; Nitkowski, Arthur; Preston, Kyle J.; Schmidt, Bradley S.; Sherwood-Droz, Nicolás.; Slaa, Jared

2015-03-01

Photonics is an inherently interdisciplinary endeavor, as technologies and techniques invented or developed in one scientific field are often found to be applicable to other fields or disciplines. We present two case studies in which optical spectroscopy technologies originating from stellar astrophysics and optical telecommunications multiplexing have been successfully adapted for biomedical applications. The first case involves a design concept called the High Throughput Virtual Slit, or HTVS, which provides high spectral resolution without the throughput inefficiency typically associated with a narrow spectrometer slit. HTVS-enhanced spectrometers have been found to significantly improve the sensitivity and speed of fiber-fed Raman analysis systems, and the method is now being adapted for hyperspectral imaging for medical and biological sensing. The second example of technology transfer into biomedicine centers on integrated optics, in which optical waveguides are fabricated on to silicon substrates in a substantially similar fashion as integrated circuits in computer chips. We describe an architecture referred to as OCTANE which implements a small and robust "spectrometer-on-a-chip" which is optimized for optical coherence tomography (OCT). OCTANE-based OCT systems deliver three-dimensional imaging resolution at the micron scale with greater stability and lower cost than equivalent conventional OCT approaches. Both HTVS and OCTANE enable higher precision and improved reliability under environmental conditions that are typically found in a clinical or laboratory setting.

Novel 1,3-dioxanes from apple juice and cider.

PubMed

Kavvadias, D; Beuerle, T; Wein, M; Boss, B; König, T; Schwab, W

1999-12-01

Extracts obtained by XAD solid-phase extraction of apple juice and cider were separated by liquid chromatography on silica gel. Several new 1,3-dioxanes including the known 2-methyl-4-pentyl-1,3-dioxane and 2-methyl-4-[2'(Z)-pentenyl]-1,3-dioxane, were identified in the nonpolar fractions by GC/MS analysis and confirmed by chemical synthesis. The enantioselective synthesis of the stereoisomers of the 1,3-dioxanes was performed using (R)- and (R,S)-octane-1,3-diol and (R)- and (R,S)-5(Z)-octene-1,3-diol as starting material. Comparison with the isolated products indicated that the natural products consisted of a mixture of (2S,4R) and (2R,4R) stereoisomers in the ratio of approximately 10:1, except for 1,3-dioxanes generated from acetone and 2-butanone. It is assumed that the 1, 3-dioxanes are chemically formed in the apples and cider from the natural apple ingredients (R)-octane-1,3-diol, (R)-5(Z)-octene-1, 3-diol, (3R,7R)- and (3R,7S)-octane-1,3,7-triol, and the appropriate aldehydes and ketones, which are produced either by the apples or by yeast during fermentation of the apple juice.

Co-liquefaction with acetone and GC analysis of volatile compounds in exhaled breath as lung cancer biomarkers

PubMed Central

Jouyban, Abolghasem; Djozan, Djavanshir; Mohammadandashti, Parastou; Alizadeh-Nabil, Aliakbar; Ghorbanpour, Hooshangh; Khoubnasabjafari, Maryam; Mohammadzadeh, Mohammad

2017-01-01

Introduction: A simple, rapid and low cost method for enrichment of volatile organic compounds (VOCs) from exhaled breath (EB) is presented. Methods: A 1000 mL home-made extraction device was filled with EB. The VOCs were extracted and condensed in 0.5 mL acetone. Recognition of volatiles in the real studied EB samples was performed by a GC-MS. Results: The method displays an extraction efficiency of >86% with the enrichment factor of 1929 for octanal. Limits of detection and quantification, and linear dynamic range were 0.008, 0.026 and 0.026-400 ng/mL respectively. Analysis of real samples showed the existence of more than 100 compounds in EB of healthy volunteers and patients with lung cancer before and after treatment. Exhaled octanal concentration was significantly higher in lung cancer patient than in healthy volunteers and lung cancer patient after treatment. Conclusion: Having used the proposed approach, high extraction recovery (up to 86%) was attained for the lung cancer marker, octanal, as an important biomarker. Our findings on smaples of EB of healthy controls and patients with lung cancer before and after treatment provide complelling evidence upon the effectiveness of the developed method. PMID:28752074

Isolation and biological activities of decanal, linalool, valencene, and octanal from sweet orange oil.

PubMed

Liu, Kehai; Chen, Qiulin; Liu, Yanjun; Zhou, Xiaoyan; Wang, Xichang

2012-11-01

Product 1 (82.25% valencene), product 2 (73.36% decanal), product 3 (78.12% octanal), and product 4 (90.61% linalool) were isolated from sweet orange oil by combined usage of molecular distillation and column chromatography. The antioxidant activity of sweet orange oil and these products was investigated using 2,2-diphenyl-1-picrylhydrazyl and reducing power assays. In this test, product 1 (82.25% valencene), product 2 (73.36% decanal), and product 4 (90.61% linalool) had antioxidant activity, but lower than sweet orange oil. The antimicrobial activity was investigated in order to evaluate their efficacy against 5 microorganisms. The results showed that sweet orange oil, product 2 (73.36% decanal), product 3 (78.12% octanal), and product 4 (90.61% linalool) had inhibitory and bactericidal effect on the test microorganisms (except Penicillium citrinum). Valencene did not show any inhibitory effect. Saccharomyces cerivisiae was more susceptible, especially to the crude sweet orange oil (minimal inhibitory concentration 6.25 μL/mL). The cytotoxicity was evaluated on Hela cells using the 3-(4,5-dimethyl-thiazol-2-yl)-2,5-diphenyl tetrazolium bromide assay. All test samples showed significant cytotoxicity on the cell lines with IC(50) values much less than 20 μg/mL. © 2012 Institute of Food Technologists®

21 CFR 177.1655 - Polysulfone resins.

Code of Federal Regulations, 2010 CFR

2010-04-01

...)(2) of this section. (c) Polysulfone resins, when extracted at reflux temperatures for 6 hours with... acetic acid in distilled water, and n-heptane, yield total extractives in each extracting solvent not to...

21 CFR 177.1655 - Polysulfone resins.

Code of Federal Regulations, 2012 CFR

2012-04-01

...)(2) of this section. (c) Polysulfone resins, when extracted at reflux temperatures for 6 hours with... acetic acid in distilled water, and n-heptane, yield total extractives in each extracting solvent not to...

21 CFR 177.1655 - Polysulfone resins.

Code of Federal Regulations, 2014 CFR

2014-04-01

... extracted at reflux temperatures for 6 hours with the solvents—distilled water, 50 percent (by volume) ethyl alcohol in distilled water, 3 percent acetic acid in distilled water, and n-heptane, yield total...

21 CFR 177.1655 - Polysulfone resins.

Code of Federal Regulations, 2013 CFR

2013-04-01

...)(2) of this section. (c) Polysulfone resins, when extracted at reflux temperatures for 6 hours with... acetic acid in distilled water, and n-heptane, yield total extractives in each extracting solvent not to...

40 CFR Appendix A to Part 439 - Tables

Code of Federal Regulations, 2010 CFR

2010-07-01

... Aldehydes. n-Heptane 1 Alkanes. n-Hexane 1 Diethylamine 1 Amines. Triethylamine Benzene Aromatics. Toluene 1... Tetrahydrofuran 1 Ethers. Isopropyl ether Acetone 1 Ketones. 4-Methyl-2-pentanone (MIBK) Ammonia (aqueous...

40 CFR Appendix A to Part 439 - Tables

Code of Federal Regulations, 2011 CFR

2011-07-01

... Aldehydes. n-Heptane 1 Alkanes. n-Hexane 1 Diethylamine 1 Amines. Triethylamine Benzene Aromatics. Toluene 1... Tetrahydrofuran 1 Ethers. Isopropyl ether Acetone 1 Ketones. 4-Methyl-2-pentanone (MIBK) Ammonia (aqueous...

On the reactivity of methylbenzenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, Gabriel da; Bozzelli, Joseph W.

2010-11-15

Alkylated aromatic hydrocarbons, including the methylbenzenes, are a major and growing component of liquid transportation fuels. Reactivity (or lack thereof) for the methylbenzenes in combustion systems, measured by octane rating, ignition delay, and laminar flame speed, varies widely with the number and position of methyl substituents. At present this behaviour is not fully understood. This study demonstrates how the low temperature and ignition reactivity of methylbenzenes is controlled by the presence of isolated methyl groups and adjacent methyl pairs (the ortho effect); this allows for the development of octane number correlations. Introduction of an isolated methyl group, adjacent only tomore » CH ring sites, consistently increases the research octane number (RON) by around 26. This phenomenon is explained by the formation of relatively unreactive benzyl free radicals. When an adjacent pair of methyl substituents is present the RON consistently decreases by between 8 and 26, compared to the case when these methyl groups are isolated from each other (this effect generally diminishes with increasing degree of substitution). Research octane numbers for all aromatics with zero to three methyl substituents are accurately described by the empirical relationship RON = 98 + 24.2n{sub m} - 25.8n{sub p}, where n{sub m} is the total number of methyl groups and n{sub p} is the number of contiguous adjacent methyl pairs. The ortho effect is attributed to the unique oxidation chemistry of o-methylbenzyl, o-methylbenzoxyl, and o-methylphenyl type radicals here we provide a preliminary exploration of this chemistry and highlight areas requiring further research. It is shown that the o-methylbenzyl radical can react with two oxygen molecules to form 1,2-diformylbenzene + 2OH + H, a highly chain-branching process. This chemistry is expected to largely explain the two-stage ignition and negative temperature coefficient (NTC) behavior witnessed for polymethylbenzenes with adjacent methyl pairs. Similar chain branching mechanisms exist in the oxidation of o-methylbenzoxyl radicals that also form during o-xylene ignition. (author)« less

NOx formation from the combustion of monodisperse n-heptane sprays doped with fuel-nitrogen additives

NASA Technical Reports Server (NTRS)

Sarv, Hamid; Cernansky, Nicholas P.

1989-01-01

A series of experiments with simulated synthetic fuels were conducted in order to investigate the effect of droplet size on the conversion of fuel-nitrogen to NOx. Pyridine and pyrrole were added to n-heptane as nitrogen-containing additives and burned as monodisperse fuel droplets under various operating conditions in a spray combustion facility. The experimental results indicate that under stoichiometric and fuel-rich conditions, reducing the droplet size increases the efficiency of fuel-N conversion to NOx. This observation is associated with improved oxidation of the pyrolysis fragments of the additive by better oxygen penetration through the droplet flame zone. The dominant reactions by which fuel-N is transformed to NOx were also considered analytically by a premixed laminar flame code. The calculations are compared to the small droplet size results.

Tuning aggregation of microemulsion droplets and silica nanoparticles using solvent mixtures.

PubMed

Salabat, Alireza; Eastoe, Julian; Mutch, Kevin J; Tabor, Rico F

2008-02-15

The effect of solvent on stability of water-in-oil microemulsions has been studied with AOT (sodium bis(2-ethylhexyl)sulfosuccinate) and different solvent mixtures of n-heptane, toluene and dodecane. Dynamic light scattering DLS was used to monitor the apparent diffusion coefficient D(A) and effective microemulsion droplet diameter on changing composition of the solvent. Interdroplet attractive interactions, as indicated by variations in D(A), can be tuned by formulation of appropriate solvent mixtures using heptane, toluene, and dodecane. In extreme cases, solvent mixtures can be used to induce phase transitions in the microemulsions. Aggregation and stability of model AOT-stabilized silica nanoparticles in different solvents were also investigated to explore further these solvent effects. For both systems the state of aggregation can be correlated with the effective molecular volume of the solvent V(mol)(eff) mixture.

Purification of antibiotics from the biocontrol agent Streptomyces anulatus S37 by centrifugal partition chromatography.

PubMed

Couillerot, Olivier; Loqman, Souad; Toribio, Alix; Hubert, Jane; Gandner, Léa; Nuzillard, Jean-Marc; Ouhdouch, Yedir; Clément, Christophe; Barka, Essaid Ait; Renault, Jean-Hugues

2014-01-01

A novel actinomycete strain, Streptomyces anulatus S37, has been isolated from the rhizosphere of healthy Moroccan Vitis vinifera on the basis on its ability to promote grapevine growth and to induce natural defences against various phytopathogens. In the present work, the main bioactive metabolites produced by S. anulatus S37 were isolated. A crude n-BuOH extract of the S37 fermentation broth was firstly partitioned in a biphasic solvent system composed of n-heptane, methanol, and water (5:1.5:3.5, v/v). The most active organic fraction (1.1g) as revealed by TLC-bioautography was subsequently separated by a two-step centrifugal partition chromatography procedure. The first separation was performed in the ascending mode at 6mL/min with the biphasic solvent system n-heptane, ethyl acetate, methanol and water (2:1:2:1, v/v), to finally recover 40mg of a pure compound identified as streptochlorin by NMR spectroscopy. In a second separation, the solvent system n-heptane, acetonitrile, and water (5:5:4, v/v) was used in the ascending mode at 3mL/min to purify 135mg of nigericin and 53mg of piericidin A1. Assays performed with the three compounds have confirmed their inhibitory impact on the growth of Botryris cinerea in dual confrontation and also on V. vinifera L. plantlets. Copyright © 2013 Elsevier B.V. All rights reserved.

Structural and phase transformations during ball milling of titanium in medium of liquid hydrocarbons

NASA Astrophysics Data System (ADS)

Dorofeev, G. A.; Lubnin, A. N.; Lad'yanov, V. I.; Mukhgalin, V. V.; Puskkarev, B. E.

2014-02-01

It has been shown using X-ray diffraction, scanning electron microscopy, and chemical analysis that, upon ball milling of α-titanium in liquid organic media (toluene and n-heptane), a nanocrystalline fcc phase is formed that is a metastable carbohydride Ti(C,H) deficient in hydrogen and carbon compared to stable carbohydrides. The dimensions of powder particles after milling in toluene and n-heptane differ substantially (are 5-10 and 20-30 μm, respectively. It has been shown that the kinetics of the formation of Ti(C,H) is independent of the milling medium. The atomic ratios H/C in the products of mechanosynthesis agree well with those corresponding to the employed organic media, i.e., H/C = 1.1 for toluene and 2.3 for n-heptane. A solid-liquid mechanism of mechanosynthesis is suggested, which includes repeated processes of particle fracturing with the formation of fresh surfaces, adsorption of liquid hydrocarbons on these surfaces, and subsequent cold welding of the newly formed particles. It is assumed that the formation of the fcc phase in the process of milling is connected with the generation of stacking faults in α-Ti. Upon annealing at 550°C, the fcc phase decomposes with the formation of stable titanium carbide TiC (annealing in a vacuum) or stable titanium carbohydride and a β-Ti(H) solid solution (annealing in argon) with a partial reverse transformation Ti(C,H) → α-Ti in both cases.

Combustion Instability in an Acid-Heptane Rocket with a Pressurized-Gas Propellant Pumping System

NASA Technical Reports Server (NTRS)

Tischler, Adelbert O.; Bellman, Donald R.

1951-01-01

Results of experimental measurements of low-frequency combustion instability of a 300-pound thrust acid-heptane rocket engine were compared to the trends predicted by an analysis of combustion instability in a rocket engine with a pressurized-gas propellant pumping system. The simplified analysis, which assumes a monopropellant model, was based on the concept of a combustion the delay occurring from the moment of propellant injection to the moment of propellant combustion. This combustion time delay was experimentally measured; the experimental values were of approximately half the magnitude predicted by the analysis. The pressure-fluctuation frequency for a rocket engine with a characteristic length of 100 inches and operated at a combustion-chamber pressure of 280 pounds per square inch absolute was 38 cycles per second; the analysis indicated. a frequency of 37 cycles per second. Increasing combustion-chamber characteristic length decreased the pressure-fluctuation frequency, in conformity to the analysis. Increasing the chamber operating pressure or increasing the injector pressure drop increased the frequency. These latter two effects are contrary to the analysis; the discrepancies are attributed to the conflict between the assumptions made to simplify the analysis and the experimental conditions. Oxidant-fuel ratio had no apparent effect on the experimentally measured pressure-fluctuation frequency for acid-heptane ratios from 3.0 to 7.0. The frequencies decreased with increased amplitude of the combustion-chamber pressure variations. The analysis indicated that if the combustion time delay were sufficiently short, low-frequency combustion instability would be eliminated.

Incident Management Capability Metrics Version 0.1

DTIC Science & Technology

2007-04-01

guidance for proactively securing and hardening their infrastructure, for example6: • ISO 17799 ( ISO /IEC 17799:2005) [ ISO 2005a] • ISO 27001 ( ISO /IEC... 27001 :2005) [ ISO 2005b] • Control Objectives for Information and related Technology (COBIT) [ITGI 2006...security management systems – Requirements ( ISO /IEC 27001 :2005).http://www.iso.org/ iso /en/CatalogueDetailPage.CatalogueDetail?CSNUMBER=421 03 (2005

Improvement Technology Classification and Composition in Multimodel Environments

DTIC Science & Technology

2008-03-01

ISO 15504, ISO 12207 , and others COBIT, ITIL, SOX, and...Practice Elements CMMI PAs and PLA ISO 15504 and ISO 12207 COBIT EFQM ISO 9001 Improvement Method Elements Change management techniques: IDEAL and Six...others EFQM and others ISO 9001, ISO 61508, ISO 16949, and others Improvement Method Elements Change management techniques: IDEAL, Six Sigma,

A Structured Approach for Reviewing Architecture Documentation

DTIC Science & Technology

2009-12-01

as those found in ISO 12207 [ ISO /IEC 12207 :2008] (for software engineering), ISO 15288 [ ISO /IEC 15288:2008] (for systems engineering), the Rational...Open Distributed Processing - Reference Model: Foundations ( ISO /IEC 10746-2). 1996. [ ISO /IEC 12207 :2008] International Organization for...Standardization & International Electrotechnical Commission. Sys- tems and software engineering – Software life cycle processes ( ISO /IEC 12207 ). 2008. [ ISO

The Purification and Characterization of Lipases from Lasiodiplodia theobromae, and Their Immobilization and Use for Biodiesel Production from Coconut Oil.

PubMed

Venkatesagowda, Balaji; Ponugupaty, Ebenezer; Barbosa-Dekker, Aneli M; Dekker, Robert F H

2017-12-18

The coconut kernel-associated fungus, Lasiodiplodia theobromae VBE1, was grown on coconut cake with added coconut oil as lipase inducer under solid-state fermentation conditions. The extracellular-produced lipases were purified and resulted in two enzymes: lipase A (68,000 Da)-purified 25.41-fold, recovery of 47.1%-and lipase B (32,000 Da)-purified 18.47-fold, recovery of 8.2%. Both lipases showed optimal activity at pH 8.0 and 35 °C, were activated by Ca 2+ , exhibited highest specificity towards coconut oil and p-nitrophenyl palmitate, and were stable in iso-octane and hexane. Ethanol supported higher lipase activity than methanol, and n-butanol inactivated both lipases. Crude lipase immobilized by entrapment within 4% (w/v) calcium alginate beads was more stable than the crude-free lipase preparation within the range pH 2.5-10.0 and 20-80 °C. The immobilized lipase preparation was used to catalyze the transesterification/methanolysis of coconut oil to biodiesel (fatty acyl methyl esters (FAMEs)) and was quantified by gas chromatography. The principal FAMEs were laurate (46.1%), myristate (22.3%), palmitate (9.9%), and oleate (7.2%), with minor amounts of caprylate, caprate, and stearate also present. The FAME profile was comparatively similar to NaOH-mediated transesterified biodiesel from coconut oil, but distinctly different to petroleum-derived diesel. This study concluded that Lasiodiplodia theobromae VBE1 lipases have potential for biodiesel production from coconut oil.

Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

NASA Astrophysics Data System (ADS)

Mouchel-Vallon, C.; Bräuer, P.; Camredon, M.; Valorso, R.; Madronich, S.; Herrmann, H.; Aumont, B.

2012-09-01

The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere) is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene) is investigated for various NOx conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (<2%) under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation) to 70% (octane oxidation) of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NOx conditions. For high NOx conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively). Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

NASA Astrophysics Data System (ADS)

Mouchel-Vallon, C.; Bräuer, P.; Camredon, M.; Valorso, R.; Madronich, S.; Herrmann, H.; Aumont, B.

2013-01-01

The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere) is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene) is investigated for various NOx conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (yield less than 2% on carbon atom basis) under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation) to 70% (octane oxidation) of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NOx conditions. For high NOx conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively). Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

Disruption of Phthorimaea operculella (Lepidoptera: Gelechiidae) oviposition by the application of host plant volatiles.

PubMed

Anfora, Gianfranco; Vitagliano, Silvia; Larsson, Mattias C; Witzgall, Peter; Tasin, Marco; Germinara, Giacinto S; De Cristofaro, Antonio

2014-04-01

Phthorimaea operculella is a key pest of potato. The authors characterised the P. operculella olfactory system, selected the most bioactive host plant volatiles and evaluated their potential application in pest management. The electrophysiological responses of olfactory receptor neurons (ORNs) housed in long sensilla trichodea of P. operculella to plant volatiles and the two main sex pheromone components were evaluated by the single-cell recording (SCR) technique. The four most SCR-active volatiles were tested in a laboratory oviposition bioassay and under storage warehouse conditions. The sensitivity of sensilla trichodea to short-chained aldehydes and alcohols and the existence of ORNs tuned to pheromones in females were characterised. Male recordings revealed at least two types of ORN, each of which typically responded to one of the two pheromone components. Hexanal, octanal, nonanal and 1-octen-3-ol significantly disrupted the egg-laying behaviour in a dose-dependent manner. Octanal reduced the P. operculella infestation rate when used under storage conditions. This work provides new information on the perception of plant volatiles and sex pheromones by P. operculella. Laboratory and warehouse experiments show that the use of hexanal, octanal, nonanal and 1-octen-3-ol as host recognition disruptants and/or oviposition deterrents for P. operculella control appears to be a promising strategy. © 2013 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

Unusual 2:3:2 complex of DABCO mono-betaine with HCl and H 2O studied by X-ray diffraction, DFT calculations and spectroscopic methods

NASA Astrophysics Data System (ADS)

Barczyński, P.; Dega-Szafran, Z.; Katrusiak, A.; Perdoch, W.; Szafran, M.

2009-12-01

DABCO mono-betaine (1,4-diazabicyclo[2.2.2]octane-1-acetate) forms a complex with HCl and water in the ratio 2:3:2. The crystals are triclinic, space group P1¯. Two non-equivalent molecules of protonated DABCO mono-betaines form a homoconjugated cation through the short and asymmetric O·H·O hydrogen bond of 2.470(3) Å. Two chloride anions are involved in the N-H···Cl hydrogen bonds of 3.049(2) and 3.023(3) Å. The third chloride anion is solvated by the water molecules. The molecules of bis(1,4-diazoniumbicyclo[2.2.2]octane-1-acetate) trihydrochloride dihydrate are linked into comb-like chains by the hydrogen bond formed between water molecules of the neighboring complexes; the O(W)-H···O(W) distance is 2.920(5) Å. FTIR spectrum shows several broad bands attributed to the νO-H, νN-H and νO·H·O vibrations. The structure of three bis(1,4-diazoniumbicyclo[2.2.2]octane-1-acetate) hydrochlorides are optimized at the B3LYP/6-31G(d,p) level of theory and a theoretical IR spectrum is calculated. The values of p Ka of DABCO, DABCO mono- and di-betaines are determined by the potentiometric titration of their hydrohalides.

Exploring of bioactive compounds in essential oil acquired from the stem and root derivatives of Hypericum triquetrifolium callus cultures.

PubMed

Tahir, Nawroz Abdul-Razzak; Azeez, Hoshyar Abdullah; Muhammad, Kadhm Abdullah; Faqe, Shewa Anwer; Omer, Dlshad Ali

2017-12-25

The chemical profile of the essential oil of callus and cell suspension cultures derivatives from stem and root of Hypericum triquetrifolium were explored by ITEX/GC-MS. The major constituents for stem derivatives were undecane (78.44%) and 2,4,6-trimethyl-octane (9.74%) for fresh calli, 2,4-dimethyl-benzaldehyde (46.94%), 2,3-dimethyl-undecane (28.39%), 2,4-dimethyl-1-hexene (10.17%), 1,2-oxolinalool (3.64%) and limonene (3.55%) for dry calli and undecane (61.24%), octane, 2,4,6-trimethyl- (16.73%), nonane, 3-methyl-(3.74%), 2,5-diphenyl-benzoquinone (3.70%) and limonene (3.60%) for cell suspension. However, for root derivatives, the dominated components were: undecane (49.94%), eucalyptol (12.07%), limonene (9.98%), toluene (9.03%) and 3-methyl-nonane (4.29%) for fresh calli, 2,4-dimethyl-benzaldehyde (29.80%), 1,1-dimethylethyl-cyclohexane (14.99%), 3-methyl-pentanal (14.99%), undecane (10.04%), beta-terpinyl acetate (8.60%), 1,2-oxolinalool (6.27%) and 2-pentyl-furan (4.09%) for dry calli, undecane (52.38%), 2,4,6-trimethyl-octane (13.81%), 3-methyl-nonane (5.73%), toluene (4.82%) and limonene (4.57%) for cell suspension derivative in root. The attained outcomes indicated that the alkane, aldehyde and monoterpene fractions dominated the chemical composition of essential oils.

Divergent synthesis and chemical reactivity of bicyclic lactone fragments of complex rearranged spongian diterpenes.

PubMed

Schnermann, Martin J; Beaudry, Christopher M; Genung, Nathan E; Canham, Stephen M; Untiedt, Nicholas L; Karanikolas, Breanne D W; Sütterlin, Christine; Overman, Larry E

2011-11-02

The synthesis and direct comparison of the chemical reactivity of the two highly oxidized bicyclic lactone fragments found in rearranged spongian diterpenes (8-substituted 6-acetoxy-2,7-dioxabicyclo[3.2.1]octan-3-one and 6-substituted 7-acetoxy-2,8-dioxabicyclo[3.3.0]octan-3-one) are reported. Details of the first synthesis of the 6-acetoxy-2,7-dioxabicyclo[3.2.1]octan-3-one ring system, including an examination of several possibilities for the key bridging cyclization reaction, are described. In addition, the first synthesis of 7-acetoxy-2,8-dioxabicyclo[3.3.0]octanones containing quaternary carbon substituents at C6 is disclosed. Aspects of the chemical reactivity and Golgi-modifying properties of these bicyclic lactone analogs of rearranged spongian diterpenes are also reported. Under both acidic and basic conditions, 8-substituted 2,7-dioxabicyclo[3.2.1]octanones are converted to 6-substituted-2,8-dioxabicyclo[3.3.0]octanones. Moreover, these dioxabicyclic lactones react with primary amines and lysine side chains of lysozyme to form substituted pyrroles, a conjugation that could be responsible for the unique biological properties of these compounds. These studies demonstrate that acetoxylation adjacent to the lactone carbonyl group, in either the bridged or fused series, is required to produce fragmented Golgi membranes in the pericentriolar region that is characteristic of macfarlandin E.

New carbocyclic N(6)-substituted adenine and pyrimidine nucleoside analogues with a bicyclo[2.2.1]heptane fragment as sugar moiety; synthesis, antiviral, anticancer activity and X-ray crystallography.

PubMed

Tănase, Constantin I; Drăghici, Constantin; Cojocaru, Ana; Galochkina, Anastasia V; Orshanskaya, Jana R; Zarubaev, Vladimir V; Shova, Sergiu; Enache, Cristian; Maganu, Maria

2015-10-01

New nucleoside analogues with an optically active bicyclo[2.2.1]heptane skeleton as sugar moiety and 6-substituted adenine were synthesized by alkylation of 6-chloropurine intermediate. Thymine and uracil analogs were synthesized by building the pyrimidine ring on amine 1. X-ray crystallography confirmed an exo-coupling of the thymine to the ring and an L configuration of the nucleoside analogue. The library of compounds was tested for their inhibitory activity against influenza virus A∖California/07/09 (H1N1)pdm09 and coxsackievirus B4 in cell culture. Compounds 13a and 13d are the most promising for their antiviral activity against influenza, and compound 3c against coxsackievirus B4. Compounds 3b and 3g were tested for anticancer activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of design changes and operating conditions on combustion and operational performance of a 28-inch diameter Ram-jet engine / T. B. Shillito and Shigeo Nakanishi

NASA Technical Reports Server (NTRS)

Shillito, T B; Nakanishi, Shigeo

1952-01-01

The results of an altitude test-chamber investigation of the effects of a number of design changes and operating conditions on altitude peformance of a 28-inch diameter ram jet engine are presented. Most of the investigation was for a simulated flight Mach number of 2.0 above the tropopause. Fuel-air distribution, gutter width, the presence of a pilot flame, cimbustion-chamber-inlet temperature, and exhaust-nozzle throat area were found to have significant effects on limits of combustion. Combustion efficiency increased with increasing combustion-chamber-inlet temperature and was adversely affected by an increase in the exhaust-nozzld area. Similiar lean limits of combustion were obtained for both Diesel fuel and normal heptane, but combustion efficiences obtained with Diesel fuel were lower than those obtained with normal heptane.

Effect of SiO2/Al2O3 Ratio on Micro-Mesopore Formation for Pt/Beta-MCM-41 via NaOH Treatment and the Catalytic Performance in N-heptane Hydro isomerization

NASA Astrophysics Data System (ADS)

Gao, Li; Shi, Zhiyuan; Liu, Yingming; Zhao, Yuanshou; Liu, Qinghua; Xu, Chengguo; Bai, Peng; Yan, Zifeng

2018-01-01

Micro-mesoporous composite material Beta-MCM-41(BM) were hydrothermally synthesized by treating parent beta with molar SiO2/Al2O3 ratios of 12.5, 20 and 30 as precursors. The influence of SiO2/Al2O3 ratio of zeolite beta on effective micro-mesoporous composite formation was studied by investigating the crystallinity, morphology, chemical composition, acidity and textural property of Beta-MCM-41 through XRD, nitrogen adsorption, SEM, TEM, NH3-TPD, FTIR and Pyridine-FTIR. The catalytic performance was evaluated in terms of n-heptane hydro isomerization. The results demonstrated that Beta-MCM-41 supported Pt catalysts showed higher selectivity to isoheptanes than Pt/Beta. It was attributed to the superiorities of the pore structure and mesoporous accelerated the diffusion of larger molecules of isoheptanes.

CMMI (Trademark) for Development, Version 1.2

DTIC Science & Technology

2006-08-01

IEC TR 12207 Information Technology—Software Life Cycle Processes, 1995. http://www.jtc1-sc7.org. ISO 1998 International Organization for...We also consult other standards as needed, including the following: • ISO 9000 [ ISO 1987] • ISO /IEC 12207 [ ISO 1995] • ISO /IEC 15504 [ ISO 2006... ISO /IEC) body of standards. CMMs focus on improving processes in an organization. They contain the essential elements of effective processes for one

Droplet Combustion in a Slow Convective Flow

NASA Technical Reports Server (NTRS)

Nayagam, V.; Hicks, M. C.; Kaib, N.; Ackerman, M.; Haggard, J. B., Jr.; Williams, F. A.

2001-01-01

The objective of the present flight experiment definition study is to investigate the effects of slow forced convective flows on the dynamics of isolated single droplet combustion and is designed to complement the quiescent, microgravity droplet combustion experiments (DCE-1 and DCE-2) of Williams and Dryer. The fuels selected for this study are the same as those of DCE, namely, a sooting alkane fuel (heptane) and a non-sooting alcohol (methanol), and imposed flow rates are chosen between 0 and 20 cm/s with varying ambient oxygen concentrations and pressures. Within this velocity range, both accelerating and decelerating flow effects will also be investigated. Two different approaches to generate the forced flow are currently under development in ground-based facilities; the first is a flow tunnel concept where the forced flow is imposed against a stationary droplet, and in the second a tethered droplet is translated at a specified velocity in a quiescent ambient medium. Depending upon the engineering feasibility a selection will be made between these two approaches so that the experiment can be accommodated in the Multiple Droplet Combustion Apparatus (MDCA) currently being designed for the International Space Station. Recently, we have finished designing and fabricating the experimental rigs using both the above mentioned concepts. The flow tunnel concept is implemented in a 2.2 second drop tower rig. Preliminary experiments have been carried out using heptane and methanol in air at atmospheric pressure. The translating droplet apparatus is scheduled to be tested in the 5 second drop facility in the near future. This report presents some of the experimental results obtained for heptane.

Theoretical study of binding and permeation of ether-based polymers through interfaces.

PubMed

Samanta, Susruta; Hezaveh, Samira; Roccatano, Danilo

2013-11-27

We present a molecular dynamics simulation study on the interactions of poly(ethylene oxide) (PEO), poly(propylene oxide) (PPO), and their ABA-type block copolymer, poloxamers, at water/n-heptane and 1,2-dimyristoyl-sn-glycero-3-phospatidycholine (DMPC) lipid bilayer/water interfaces. The partition coefficients in water/1-octanol of the linear polyethers up to three monomers were calculated. The partition coefficients evidenced a higher hydrophobicity of the PPO in comparison to PEO. At the water/n-heptane interface, the polymers tend to adopt elongated conformations in agreement with similar experimental ellipsometry studies of different poloxamers. In the case of the poloxamers at the n-heptane/water interface, the stronger preference of the PPO block for the hydrophobic phase resulted in bottle-brush-type polymer conformations. At lipid bilayer/water interface, the PEO polymers, as expected from their hydrophilic nature, are weakly adsorbed on the surface of the lipid bilayer and locate in the water phase close to the headgroups. The free energy barriers of permeation calculated for short polymer chains suggest a thermodynamics propensity for the water phase that increase with the chain length. The lower affinity of PEO for the hydrophobic interior of the lipid bilayer resulted in the spontaneous expulsion within the simulation time. On the contrary, PPO chains and poloxamers have a longer residence time inside the bilayer, and they tend to concentrate in the tail region of the bilayer near the polar headgroups. In addition, polymers with PPO unit length comparable to the thickness of the hydrophobic region of the bilayer tend to span across the bilayer.

CrossTalk: The Journal of Defense Software Engineering. Volume 21, Number 12

DTIC Science & Technology

2008-12-01

that provide recognized certifications, and examples of how these standards relate. The first qual- ification ( ISO 27000 ) should be strongly considered...Several ISO 20000 requirements relate to ISO 27000 and ISO 9001. As a result, achieving ISO 20000 cer- tification helps an organization to also...achieve ISO 9001 and ISO 27000 certifica- tion. ISO 20000 certification can also help organizations with CMMI® appraisals. Table 1 also shows some of the

Synthesis of 7-azabicyclo[2.2.1]heptane and 2-oxa-4-azabicyclo[3.3.1]non-3-ene derivatives by base-promoted heterocyclization of alkyl N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)carbamates and N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)-2,2,2-trifluoroacetamides.

PubMed

Gómez-Sanchez, Elena; Soriano, Elena; Marco-Contelles, José

2007-11-09

We have studied the base-promoted heterocyclization of alkyl N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)carbamates and N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)-2,2,2-trifluoroacetamides, investigating the effect of the nitrogen protecting group and the relative configuration of the leaving group at C3 and C4 on the outcome of this reaction. We have observed that the sodium hydride-promoted heterocyclization of alkyl N-(cis-3,trans-4-dibromocyclohex-1-yl)carbamates (10, 12, 14, 16, 18) is a convenient method for the synthesis of 7-azabicyclo[2.2.1]heptane derivatives. For instance, the reaction of tert-butyl N-(cis-3,trans-4-dibromocyclohex-1-yl)carbamate (10) with sodium hydride in DMF at room temperature provides 2-bromo-7-[(tert-butoxy)carbonyl]-7-azabicyclo[2.2.1]heptane (2) (52% yield), whose t-BuOK-promoted hydrogen bromide elimination affords 7-[(tert-butoxy)carbonyl]-7-azabicyclo[2.2.1]hept-2-ene (31) in 78% yield, an intermediate in the total synthesis of epibatidine (1). However, the NaH/DMF-mediated heterocyclization of alkyl N-(trans-3,cis-4-dibromocyclohex-1-yl)carbamates (11, 13) is a more structure dependent reaction, where the nucleophilic attack of the oxygen atom of the protecting group controls the outcome of the reaction, giving rise to benzooxazolone and 2-oxa-4-azabicyclo[3.3.1]non-3-ene derivatives, respectively, from low to moderate yields, in complex reaction mixtures. Conversely, the NaH/DMF heterocyclizations of N-(cis-3,trans-4-dibromocyclohex-1-yl)-2,2,2-trifluoroacetamide (40) or N-(trans-3,cis-4-dibromocyclohex-1-yl)-2,2,2-trifluoroacetamide (42) are very clean reactions giving 7-azabicyclo[2.2.1]heptane or 2-oxa-4-azabicyclo[3.3.1]non-3-ene derivatives, respectively, in good yields. Finally, a mechanistic investigation, based on DFT calculations, has been carried out to rationalize the formation of the different adducts.

CRADA Final Report for CRADA Number ORNL00-0605: Advanced Engine/Aftertreatment System R&D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pihl, Josh A; West, Brian H; Toops, Todd J

2011-10-01

Navistar and ORNL established this CRADA to develop diesel engine aftertreatment configurations and control strategies that could meet emissions regulations while maintaining or improving vehicle efficiency. The early years of the project focused on reducing the fuel penalty associated with lean NOx trap (LNT), also known as NOx adsorber catalyst regeneration and desulfation. While Navistar pursued engine-based (in-cylinder) approaches to LNT regeneration, complementary experiments at ORNL focused on in-exhaust fuel injection. ORNL developed a PC-based controller for transient electronic control of EGR valve position, intake throttle position, and actuation of fuel injectors in the exhaust system of a Navistar enginemore » installed at Oak Ridge. Aftertreatment systems consisting of different diesel oxidation catalysts (DOCs) in conjunction with a diesel particle filter and LNT were evaluated under quasi-steady-state conditions. Hydrocarbon (HC) species were measured at multiple locations in the exhaust system with Gas chromatograph mass spectrometry (GC-MS) and Fourier transform infrared (FTIR) spectroscopy. Under full-load, rated speed conditions, injection of fuel upstream of the DOC reduced the fuel penalty for a given level of NOx reduction by 10-20%. GC-MS showed that fuel compounds were 'cracked' into smaller hydrocarbon species over the DOC, particularly light alkenes. GC-MS analysis of HC species entering and exiting the LNT showed high utilization of light alkenes, followed by mono-aromatics; branched alkanes passed through the LNT largely unreacted. Follow-on experiments at a 'road load' condition were conducted, revealing that the NOx reduction was better without the DOC at lower temperatures. The improved performance was attributed to the large swings in the NOx adsorber core temperature. Split-injection experiments were conducted with ultra-low sulfur diesel fuel and three pure HC compounds: 1-pentene, toluene, and iso-octane. The pure compound experiments confirmed the previous results regarding hydrocarbon reactivity: 1-pentene was the most efficient LNT reductant, followed by toluene. Injection location had minimal impact on the reactivity of these two compounds. Iso-octane was an ineffective LNT reductant, requiring high doses (resulting in high HC emissions) to achieve reasonable NOx conversions. Diesel fuel reactivity was sensitive to injection location, with the best performance achieved through fuel injection downstream of the DOC. This configuration generated large LNT temperature excursions, which probably improved the efficiency of the NOx storage/reduction process, but also resulted in very high HC emissions. The ORNL team demonstrated an LNT desulfation under 'road load' conditions using throttling, EGR, and in-pipe injection of diesel fuel. Flow reactor characterization of core samples cut from the front and rear of the engine-aged LNT revealed complex spatially dependent degradation mechanisms. The front of the catalyst contained residual sulfates, which impacted NOx storage and conversion efficiencies at high temperatures. The rear of the catalyst showed significant sintering of the washcoat and precious metal particles, resulting in lower NOx conversion efficiencies at low temperatures. Further flow reactor characterization of engine-aged LNT core samples established that low temperature performance was limited by slow release and reduction of stored NOx during regeneration. Carbon monoxide was only effective at regenerating the LNT at temperatures above 200 C; propene was unreactive even at 250 C. Low temperature operation also resulted in unselective NOx reduction, resulting in high emissions of both N{sub 2}O and NH{sub 3}. During the latter years of the CRADA, the focus was shifted from LNTs to other aftertreatment devices. Two years of the CRADA were spent developing detailed ammonia SCR device models with sufficient accuracy and computational efficiency to be used in development of model-based ammonia injection control algorithms.ORNL, working closely with partners at Navistar and Mi« less

Enhancing Technology Education Students' Understanding of ISO 9000.

ERIC Educational Resources Information Center

Harding, Kerry A.; Tesolowski, Dennis G.; Simmons, J. Bryan

2000-01-01

Defines ISO 9000, the quality control standard of the International Organization for Standardization (ISO), and looks at the benefits of ISO certification. Looks at the four levels of ISO 9000 and discusses the construction of training courses to prepare ISO documentation. (JOW)

Effect of LCZ696, a dual angiotensin receptor neprilysin inhibitor, on isoproterenol-induced cardiac hypertrophy, fibrosis, and hemodynamic change in rats.

PubMed

Miyoshi, Toru; Nakamura, Kazufumi; Miura, Daiji; Yoshida, Masashi; Saito, Yukihiro; Akagi, Satoshi; Ohno, Yuko; Kondo, Megumi; Ito, Hiroshi

2018-05-02

Recent clinical studies have shown that treatment with LCZ696, a complex containing the angiotensin receptor blocker valsartan and neprilysin inhibitor sacubitril, improves the prognosis of heart failure patients with a reduced ejection fraction. This study evaluated whether LCZ696 affects left ventricular hypertrophy, fibrosis, and hemodynamics in isoproterenol (ISO)-treated rats compared with valsartan alone. Male Wistar rats received subcutaneous saline (n = 10), subcutaneous ISO (2.4 mg/kg/day; n = 10), subcutaneous ISO + oral LCZ696 (60 mg/kg/day; n = 20) (ISO-LCZ), or subcutaneous ISO + oral valsartan (30 mg/kg/day; n = 20) (ISO-VAL) for 7 days. LCZ696 and valsartan did not significantly reduce the increased heart weight/body weight ratio in rats treated with ISO. Echocardiography showed that the deceleration time shortened by ISO was restored by LCZ696 but not valsartan alone (p = 0.01 vs. the ISO group). Histological analysis showed that cardiac interstitial fibrosis increased by ISO was decreased significantly by LCZ696 but not valsartan alone (control: 0.10 ± 0.14%; ISO: 0.41 ± 0.32%; ISO-LCZ: 0.19 ± 0.23% [p < 0.01 vs. the ISO group]; ISO-VAL: 0.34 ± 0.23% [p = 0.34 vs. the ISO group]). Quantitative PCR showed that mRNA expression of Tgfb1, Col1a1, Ccl2, and Anp increased by ISO was significantly attenuated by LCZ696 but not valsartan alone (p < 0.05 vs. the ISO group). LCZ696 improves cardiac fibrosis, but not hypertrophy, caused by continuous exposure to ISO in rats.

Potential of mean force analysis of the self-association of leucine-rich transmembrane α-helices: difference between atomistic and coarse-grained simulations.

PubMed

Nishizawa, Manami; Nishizawa, Kazuhisa

2014-08-21

Interaction of transmembrane (TM) proteins is important in many biological processes. Large-scale computational studies using coarse-grained (CG) simulations are becoming popular. However, most CG model parameters have not fully been calibrated with respect to lateral interactions of TM peptide segments. Here, we compare the potential of mean forces (PMFs) of dimerization of TM helices obtained using a MARTINI CG model and an atomistic (AT) Berger lipids-OPLS/AA model (AT(OPLS)). For helical, tryptophan-flanked, leucine-rich peptides (WL15 and WALP15) embedded in a parallel configuration in an octane slab, the AT(OPLS) PMF profiles showed a shallow minimum (with a depth of approximately 3 kJ/mol; i.e., a weak tendency to dimerize). A similar analysis using the CHARMM36 all-atom model (AT(CHARMM)) showed comparable results. In contrast, the CG analysis generally showed steep PMF curves with depths of approximately 16-22 kJ/mol, suggesting a stronger tendency to dimerize compared to the AT model. This CG > AT discrepancy in the propensity for dimerization was also seen for dilauroylphosphatidylcholine (DLPC)-embedded peptides. For a WL15 (and WALP15)/DLPC bilayer system, AT(OPLS) PMF showed a repulsive mean force for a wide range of interhelical distances, in contrast to the attractive forces observed in the octane system. The change from the octane slab to the DLPC bilayer also mitigated the dimerization propensity in the CG system. The dimerization energies of CG (AALALAA)3 peptides in DLPC and dioleoylphosphatidylcholine bilayers were in good agreement with previous experimental data. The lipid headgroup, but not the length of the lipid tails, was a key causative factor contributing to the differences between octane and DLPC. Furthermore, the CG model, but not the AT model, showed high sensitivity to changes in amino acid residues located near the lipid-water interface and hydrophobic mismatch between the peptides and membrane. These findings may help interpret CG and AT simulation results on membrane proteins.

High-Octane Mid-Level Ethanol Blend Market Assessment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Caley; Newes, Emily; Brooker, Aaron

2015-12-01

The United States government has been promoting increased use of biofuels, including ethanol from non-food feedstocks, through policies contained in the Energy Independence and Security Act of 2007. The objective is to enhance energy security, reduce greenhouse gas (GHG) emissions, and provide economic benefits. However, the United States has reached the ethanol blend wall, where more ethanol is produced domestically than can be blended into standard gasoline. Nearly all ethanol is blended at 10 volume percent (vol%) in gasoline. At the same time, the introduction of more stringent standards for fuel economy and GHG tailpipe emissions is driving research tomore » increase the efficiency of spark ignition (SI) engines. Advanced strategies for increasing SI engine efficiency are enabled by higher octane number (more highly knock-resistant) fuels. Ethanol has a research octane number (RON) of 109, compared to typical U.S. regular gasoline at 91-93. Accordingly, high RON ethanol blends containing 20 vol% to 40 vol% ethanol are being extensively studied as fuels that enable design of more efficient engines. These blends are referred to as high-octane fuel (HOF) in this report. HOF could enable dramatic growth in the U.S. ethanol industry, with consequent energy security and GHG emission benefits, while also supporting introduction of more efficient vehicles. HOF could provide the additional ethanol demand necessary for more widespread deployment of cellulosic ethanol. However, the potential of HOF can be realized only if it is adopted by the motor fuel marketplace. This study assesses the feasibility, economics, and logistics of this adoption by the four required participants--drivers, vehicle manufacturers, fuel retailers, and fuel producers. It first assesses the benefits that could motivate these participants to adopt HOF. Then it focuses on the drawbacks and barriers that these participants could face when adopting HOF and proposes strategies--including incentives and policies--to curtail these barriers. These curtailment strategies are grouped into scenarios that are then modeled to investigate their feasibility and explore the dynamics involved in HOF deployment. This report does not advocate for or against incentives or policies, but presents simulations of their effects.« less

Analyzing Cases of Resilience Success and Failure - A Research Study

DTIC Science & Technology

2012-12-01

controls [NIST 2012, NIST 2008] ISO 27002 and ISO 27004 Guidelines for initiating, implementing, maintaining, and improving information security...Commission ( ISO /IEC). Information technology—Security techniques—Code of practice for information security management ( ISO /IEC 27002 :2005). ISO /IEC, 2005...security management system and controls or groups of controls [ ISO /IEC 2005, ISO /IEC 2009] CIS Security Metrics Outcome and practice metrics measuring

21 CFR 177.1040 - Acrylonitrile/styrene copoly-mer.

Code of Federal Regulations, 2011 CFR

2011-04-01

... a size that will pass through a U.S. Standard Sieve No. 6 and that will be held on a U.S. Standard Sieve No. 10 is extracted with 250 mil of deionized water or reagent grade n-heptane at reflux...

21 CFR 177.1040 - Acrylonitrile/styrene copoly-mer.

Code of Federal Regulations, 2012 CFR

2012-04-01

... a size that will pass through a U.S. Standard Sieve No. 6 and that will be held on a U.S. Standard Sieve No. 10 is extracted with 250 mil of deionized water or reagent grade n-heptane at reflux...

21 CFR 177.1040 - Acrylonitrile/styrene copoly-mer.

Code of Federal Regulations, 2013 CFR

2013-04-01

... a size that will pass through a U.S. Standard Sieve No. 6 and that will be held on a U.S. Standard Sieve No. 10 is extracted with 250 mil of deionized water or reagent grade n-heptane at reflux...

Coalition Network Defence Common Operational Picture

DTIC Science & Technology

2010-11-01

27000 .org/ iso -27005.htm [26] ISO 8601:2004, Data elements and interchange formats - Information interchange - Representation of dates and times, http://ww.iso.org, http://en.wikipedia.org/wiki/ISO_8601 ...Regular_expression [25] ISO /IEC 27005:2008, Information technology -- Security techniques -- Information security risk management, http://ww.iso.org,; http://www

Review of the National Information Assurance Partnership (NIAP)

DTIC Science & Technology

2006-01-01

accreditation is to ensure that laboratories meet the re- quirements of ISO / IEC 17025 :2005, General Requirement for the Competence of Cali- bration and...isoguide2. [ISO1999] ISO / IEC 17025 , General Requirements for the Competence of Testing and Calibration Laboratories, 1999, http://www.iso.ch/ iso ...Protection Profiles and Secu- rity Targets, 2003. [ISO2005] ISO / IEC 17025 , General Requirements for the Competence of Testing and Calibration Laboratories

CERT Resilience Management Model (RMM) v1.1: Code of Practice Crosswalk Commercial Version 1.1

DTIC Science & Technology

2011-10-01

ISO /IEC 24762:2008 (E) 6 2.8 ISO /IEC 27002 :2005 (E) 6 2.9 ISO /IEC 27005:2008 (E) 6 2.10 ISO /IEC 31000:2009 (E) 6 2.11...webstore.ansi.org/. 2.8 ISO /IEC 27002 :2005 (E) ISO /IEC 27002 , “Code of practice for information security management” [ ISO /IEC 2005b], broaches the full...scope of security management, at points touching upon both IT management and disaster recovery. ISO /IEC 27002 is part of a growing “27000

Infrastructure | Transportation Research | NREL

Science.gov Websites

establishing a new test fuel standard crucial to set the stage for the commercial introduction of high-octane . Results are provided for all stations-including data from pre-commercial or demonstration stations that

Transport properties of nonelectrolyte liquid mixtures—VII. Viscosity coefficients for isooctane and for equimolar mixtures of isooctane + n-octane and isooctane + n-dodecane from 25 to 100°C at pressures up to 500 MPa or to the freezing pressure

NASA Astrophysics Data System (ADS)

Dymond, J. H.; Glen, N. F.; Isdale, J. D.

1985-05-01

Changes in the high-pressure self-centering falling-body viscometer system, and the new automated data logging system, are described. Viscosity coefficient measurements made with an estimated accuracy of ± 2 % are reported for isooctane and for equimolar mixtures of isooctane + n-octane and isooctane + n-dodecane at 25, 50, 75, and 100°C at pressures up to 500 MPa or to the freezing pressure. The pressure dependence of the results is found to be represented equally well by the recent equation of Makita and by a free-volume form of equation. The Grunberg and Nissan equation gives a good fit to the mixture viscosity coefficient data.

Polymethylated [4.1.1] Octanes Leading to Zeolite SSZ-50

NASA Astrophysics Data System (ADS)

Lee, Greg S.; Zones, Stacey I.

2002-09-01

In this communication, we report on the discovery of novel zeolite compositions, SSZ-50. The zeolite has the RTH topology but can be made over a large silica-to-alumina range including no aluminum at all. The surprising capability to produce a broad compositional range comes from the use of a single organo-cation guest molecule in the zeolite synthesis. The molecule is a specific derivative from within a family of 2-aza [4.1.1] bicyclo octanes that were prepared employing a sequence of organic synthesis steps from a starting ketone. Other cage-based zeolites like SSZ-35,-36,-39 and MTN arose from the use of the other derivatives in this series. We also comment on the tendency of a variety of polymethylated organo-cations to produce RTH, the closely related ITE, or the intergrowth structure, SSZ-36.

Attaching Thiolated Superconductor Grains on Gold Surfaces for Nanoelectronics Applications

NASA Astrophysics Data System (ADS)

De Los Santos Valladares, Luis; Bustamante Dominguez, Angel; Llandro, Justin; Suzuki, Seiichi; Mitrelias, Thanos; Bellido Quispe, Richard; Barnes, Crispin H. W.; Majima, Yutaka

2010-09-01

We report that the high critical temperature superconductor (HTCS) LaCaBaCu3O7 in the form of nanograins can be linked to Au(111) surfaces through self assembled monolayers (SAMs) of HS-C8H16-HS [octane (di)thiol]. We show that La1113 particles (100 nm mean diameter) can be functionalized by octane (di)thiol without affecting their superconducting critical temperature (TC=80 K). X-ray photoemission spectroscopy (XPS) analysis reveals that the thiol functional heads link the superconducting grain surfaces creating sulfonates and we deduce that bonding between the S atoms and Cu(1) atoms of the La1113 structure would be formed. We suggest a design for a superconducting transistor fabricated by immobilized La1113 nanograins in between two gold electrodes which could be controlled by an external magnetic field gate.

Ultrafast rotation in an amphidynamic crystalline metal organic framework

DOE PAGES

Vogelsberg, Cortnie S.; Uribe-Romo, Fernando J.; Lipton, Andrew S.; ...

2017-12-26

Amphidynamic crystals are an emergent class of condensed phase matter designed with a combination of lattice-forming elements linked to components that display engineered dynamics in the solid state. Here, we address the design of a crystalline array of molecular rotors with inertial diffusional rotation at the nanoscale, characterized by the absence of steric or electronic barriers. We solved this challenge with 1,4-bicyclo[2.2.2]octane dicarboxylic acid (BODCA)-MOF, a metal-organic framework (MOF) built with a high-symmetry bicyclo[2.2.2]octane dicarboxylate linker in a Zn 4O cubic lattice. Using spin-lattice relaxation 1H solid-state NMR at 29.49 and 13.87 MHz in the temperature range of 2.3–80 K,more » we showed that internal rotation occurs in a potential with energy barriers of 0.185 kcal mol -1. These results were confirmed with 2H solid-state NMR line-shape analysis and spin-lattice relaxation at 76.78 MHz obtained between 6 and 298 K, which, combined with molecular dynamics simulations, indicate that inertial diffusional rotation is characterized by a broad range of angular displacements with no residence time at any given site. Furthermore, the ambient temperature rotation of the bicyclo[2.2.2]octane (BCO) group in BODCA-MOF constitutes an example where engineered rotational dynamics in the solid state are as fast as they would be in a high-density gas or in a low-density liquid phase.« less

Engine Performance and Knock Rating of Fuels for High-output Aircraft Engines

NASA Technical Reports Server (NTRS)

Rothbrock, A M; Biermann, Arnold E

1938-01-01

Data are presented to show the effects of inlet-air pressure, inlet-air temperature, and compression ratio on the maximum permissible performance obtained on a single-cylinder test engine with aircraft-engine fuels varying from a fuel of 87 octane number to one 100 octane number plus 1 ml of tetraethyl lead per gallon. The data were obtained on a 5-inch by 5.75-inch liquid-cooled engine operating at 2,500 r.p.m. The compression ratio was varied from 6.50 to 8.75. The inlet-air temperature was varied from 120 to 280 F. and the inlet-air pressure from 30 inches of mercury absolute to the highest permissible. The limiting factors for the increase in compression ratio and in inlet-air pressure was the occurrence of either audible or incipient knock. The data are correlated to show that, for any one fuel,there is a definite relationship between the limiting conditions of inlet-air temperature and density at any compression ratio. This relationship is dependent on the combustion-gas temperature and density relationship that causes knock. The report presents a suggested method of rating aircraft-engine fuels based on this relationship. It is concluded that aircraft-engine fuels cannot be satisfactorily rated by any single factor, such as octane number, highest useful compression ratio, or allowable boost pressure. The fuels should be rated by a curve that expresses the limitations of the fuel over a variety of engine conditions.

Ultrafast rotation in an amphidynamic crystalline metal organic framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogelsberg, Cortnie S.; Uribe-Romo, Fernando J.; Lipton, Andrew S.

Amphidynamic crystals are an emergent class of condensed phase matter designed with a combination of lattice-forming elements linked to components that display engineered dynamics in the solid state. Here, we address the design of a crystalline array of molecular rotors with inertial diffusional rotation at the nanoscale, characterized by the absence of steric or electronic barriers. We solved this challenge with 1,4-bicyclo[2.2.2]octane dicarboxylic acid (BODCA)-MOF, a metal-organic framework (MOF) built with a high-symmetry bicyclo[2.2.2]octane dicarboxylate linker in a Zn 4O cubic lattice. Using spin-lattice relaxation 1H solid-state NMR at 29.49 and 13.87 MHz in the temperature range of 2.3–80 K,more » we showed that internal rotation occurs in a potential with energy barriers of 0.185 kcal mol -1. These results were confirmed with 2H solid-state NMR line-shape analysis and spin-lattice relaxation at 76.78 MHz obtained between 6 and 298 K, which, combined with molecular dynamics simulations, indicate that inertial diffusional rotation is characterized by a broad range of angular displacements with no residence time at any given site. Furthermore, the ambient temperature rotation of the bicyclo[2.2.2]octane (BCO) group in BODCA-MOF constitutes an example where engineered rotational dynamics in the solid state are as fast as they would be in a high-density gas or in a low-density liquid phase.« less

New members of the TW Hydrae Association and two accreting M-dwarfs in Scorpius-Centaurus

NASA Astrophysics Data System (ADS)

Murphy, Simon J.; Lawson, Warrick A.; Bento, Joao

2015-11-01

We report the serendipitous discovery of several young mid-M stars found during a search for new members of the 30-40 Myr-old Octans Association. Only one of the stars may be considered a possible Octans(-Near) member. However, two stars have proper motions, kinematic distances, radial velocities, photometry and Li I λ6708 measurements consistent with membership in the 8-10 Myr-old TW Hydrae Association. Another may be an outlying member of TW Hydrae but has a velocity similar to that predicted by membership in Octans. We also identify two new lithium-rich members of the neighbouring Scorpius-Centaurus OB Association (Sco-Cen). Both exhibit large 12 and 22 μm excesses and strong, variable Hα emission which we attribute to accretion from circumstellar discs. Such stars are thought to be incredibly rare at the ˜16 Myr median age of Sco-Cen and they join only one other confirmed M-type and three higher mass accretors outside of Upper Scorpius. The serendipitous discovery of two accreting stars hosting large quantities of circumstellar material may be indicative of a sizeable age spread in Sco-Cen, or further evidence that disc dispersal and planet formation time-scales are longer around lower mass stars. To aid future studies of Sco-Cen, we also provide a newly compiled catalogue of 305 early-type Hipparcos members with spectroscopic radial velocities sourced from the literature.

Cardioprotective effect of vitamin D2 on isoproterenol-induced myocardial infarction in diabetic rats.

PubMed

El Agaty, Sahar M

2018-03-08

To assess the effect of vitamin D 2 and to elucidate the underlying mechanisms on acute myocardial injury induced by isoproterenol (ISO) in diabetic rats. Rats were divided into control rats, diabetic rats (DM), diabetic rats received ISO (DM-ISO), and diabetic rats pretreated with vitamin D 2 and received ISO (DM-D 2 -ISO). Vitamin D 2 pretreatment significantly decreased fasting glucose and myocardial malondialdehyde, associated with increased insulin, myocardial glutathione and superoxide dismutase in DM-D 2 -ISO versus DM-ISO. The serum triglycerides, total cholesterol, and LDL were significantly decreased, along with increased HDL and adiponectin. Poly-ADP ribose polymerase, cyclooxygenase-2, tumour necrosis factor alpha, interleukin-6, caspase-3, BAX, and p53 were significantly downregulated in myocardium of DM-D 2 -ISO versus DM-ISO. Histological studies showed diminished inflammatory cells infiltration in myocardium of DM-D 2 -ISO versus DM-ISO. Vitamin D 2 ameliorates hyperglycaemia, dyslipidaemia, redox imbalance, inflammatory and apoptotic processes, protecting the myocardium of diabetic rats against acute myocardial infarction.

Synthesis and Biological Activity of 2',3'-iso-Aryl-abscisic Acid Analogs.

PubMed

Wan, Chuan; Wang, Mingan; Yang, Dongyan; Han, Xiaoqiang; Che, Chuanliang; Ding, Shanshan; Xiao, Yumei; Qin, Zhaohai

2017-12-15

2',3'- iso -Benzoabscisic acid ( iso -PhABA), an excellent selective abscisic acid (ABA) analog, was developed in our previous work. In order to find its more structure-activity information, some structural modifications were completed in this paper, including the substitution of phenyl ring and replacing the ring with heterocycles. Thus, 16 novel analogs of iso -PhABA were synthesized and screened with three bioassays, Arabidopsis and lettuce seed germination and rice seedling elongation. Some of them, i.e., 2',3'- iso -pyridoabscisic acid ( iso -PyABA) and 2',3'- iso -franoabscisic acid ( iso -FrABA), displayed good bioactivities that closed to iso -PhABA and natural (+)-ABA. Some others, for instance, substituted- iso -PhABA, exhibited certain selectivity to different physiological process when compared to iso -PhABA or (+)-ABA. These analogs not only provided new candidates of ABA-like synthetic plant growth regulators (PGRs) for practical application, but also new potential selective agonist/antagonist for probing the specific function of ABA receptors.

Launching the chaotic realm of iso-fractals: A short remark

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Schmidt, Nathan; Katebi, Reza; Corda, Christian

In this brief note, we introduce the new, emerging sub-discipline of iso-fractals by highlighting and discussing the preliminary results of recent works. First, we note the abundance of fractal, chaotic, non-linear, and self-similar structures in nature while emphasizing the importance of studying such systems because fractal geometry is the language of chaos. Second, we outline the iso-fractal generalization of the Mandelbrot set to exemplify the newly generated Mandelbrot iso-sets. Third, we present the cutting-edge notion of dynamic iso-spaces and explain how a mathematical space can be iso-topically lifted with iso-unit functions that (continuously or discretely) change; in the discrete casemore » examples, we mention that iteratively generated sequences like Fibonacci’s numbers and (the complex moduli of) Mandelbrot’s numbers can supply a deterministic chain of iso-units to construct an ordered series of (magnified and/or de-magnified) iso-spaces that are locally iso-morphic. Fourth, we consider the initiation of iso-fractals with Inopin’s holographic ring (IHR) topology and fractional statistics for 2D and 3D iso-spaces. In total, the reviewed iso-fractal results are a significant improvement over traditional fractals because the application of Santilli’s iso-mathematics arms us an extra degree of freedom for attacking problems in chaos. Finally, we conclude by proposing some questions and ideas for future research work.« less

Major metabolite of F2-isoprostane in urine may be a more sensitive biomarker of oxidative stress than isoprostane itself1234

PubMed Central

Dorjgochoo, Tsogzolmaa; Gao, Yu-Tang; Chow, Wong-Ho; Shu, Xiao-ou; Yang, Gong; Cai, Qiuyin; Rothman, Nathaniel; Cai, Hui; Li, Honglan; Deng, Xinqing; Franke, Adrian; Roberts, L Jackson; Milne, Ginger; Zheng, Wei; Dai, Qi

2012-01-01

Background: There is limited literature on the contributors to isoprostane metabolite 2,3-dinor-5,6-dihydro-15-F2t-isoprostane (15-F2t-IsoP-M) compared with F2-isoprostanes (F2-IsoPs) as an oxidative stress biomarker. Objective: The objective of this study was to investigate whether plasma concentrations of antioxidants, urinary excretion rates of polyphenols, and antioxidants in food and dietary supplements are attributable to both urinary F2-IsoP and 15-F2t-IsoP-M concentrations. Design: Dietary intake information and blood and urine samples were obtained from 845 healthy middle-aged and elderly female participants of the Shanghai Women's Health Study. Urinary isoprostanes (F2-IsoPs and 15-F2t-IsoP-M) were measured and adjusted for creatinine concentrations. Results: Urinary 15-F2t-IsoP-M and F2-IsoP concentrations were lower in subjects who used a multivitamin. Lower F2-IsoP concentrations were observed in ginseng users, whereas lower concentrations of 15-F2t-IsoP-M were shown in subjects who used a vitamin E supplement. Plasma concentrations of several antioxidants (ie, β-carotenes, both trans and cis β-carotenes, lycopene other than trans, 5-cis and 7-cis isomers, cis anhydrolutein, and cis β-cryptoxanthin) were inversely associated with 15-F2t-IsoP-M but not with F2-IsoPs, whereas β-, γ-, and δ-tocopherols were positively associated with 15-F2t-IsoP-M but not with F2-IsoPs. Urinary polyphenol quercetin was positively associated with both F2-IsoPs and 15-F2t-IsoP-M. Conclusion: The results suggest that the F2-IsoP major metabolite 15-F2t-IsoP-M may be a more sensitive marker of endogenous oxidative stress status than are F2-IsoPs in the assessment of effects of antioxidants on age-related diseases. PMID:22760572

Protective and therapeutic effects of dexpanthenol on isoproterenol-induced cardiac damage in rats.

PubMed

Kalkan, Ferhat; Parlakpinar, Hakan; Disli, Olcay M; Tanriverdi, Lokman H; Ozhan, Onural; Polat, Alaaddin; Cetin, Aslı; Vardi, Nigar; Otlu, Yılmaz O; Acet, Ahmet

2018-05-18

The purpose of the study was to explore the protective and therapeutic effects of dexpanthenol (DEX) on isoproterenol (ISO)-induced cardiac damage. Forty rats were distributed into four groups: group I (Control); group II (ISO); ISO (150 mg/kg/day) was given to rats once a day for 2 consecutive days with an interval of 24 h; group III (DEX+ISO): DEX (250 mg/kg) was applied 30 min before the first ISO administration and continued in the next two days after second ISO administration; group IV (ISO+DEX): After the ISO treatment at 1st and 2nd days, DEX was given at 3rd and 4th days. Rats were monitored for mean arterial blood pressure (BP), heart rate, oxygen saturation (%SO 2 ), and electrocardiography (ECG). Heart tissue levels of malondialdehyde (MDA), superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPX), reduced glutathione (GSH), total oxidant status (TOS); total antioxidant capacity (TAC), oxidative stress index (OSI), and caspase-3 were determined. BP and SO 2 values indicated a significant decrease in the ISO group. Also, T wave negativity was observed in 6 of 10 rats, SOD, CAT, and GPX levels were significantly lower in ISO group than control group. ISO administration increased TOS and OSI levels, whereas DEX treatment significantly reduced these parameters. Also, ISO-induced morphological alterations such as disorganization of cardiomyocytes, loss of myofibrils and cytoplasmic vacuolization whereas these histological damages were significantly decreased in ISO+DEX and DEX+ISO groups when compared to the ISO group. This study implies the cardioprotective effects of DEX on ISO-induced cardiotoxicity. © 2018 Wiley Periodicals, Inc.

Analysis of non-phthalates plasticizers on porous graphitic carbon by supercritical fluid chromatography using evaporative light scattering detection.

PubMed

Vaccher, Claude; Decaudin, Bertrand; Sautou, Valérie; Lecoeur, Marie

2014-09-12

The analysis of several plasticizers, widely used in the production of medical devices, was investigated on porous graphitic carbon (PGC) stationary phase in supercritical fluid chromatography (SFC) with an evaporative light scattering detector (ELSD). Due to strong interaction of compounds with the PGC support, solvents of strong eluotropic strength were added to the CO2 supercritical fluid. The effect of alkyl chain (pentane, hexane, heptane) and chlorinated (CH2Cl2, CHCl3, CCl4) solvents was studied on the retention and on the ELSD detection of plasticizers. A co-solvent mixture composed of CHCl3/heptane, eluted under gradient mode, allowed a significant improvement of the ELSD response compared to the use of each solvent individually. Then, a central composite design (CCD) was implemented to optimize both the separation and the detection of plasticizers. The parameters involved were the outlet pressure, the gradient slope, the co-solvent composition and the drift tube temperature of the ELSD. After optimization, baseline separation of plasticizers was achieved in 7min and best signal-to-noise ratios were obtained with outlet pressure and drift tube temperature of ELSD set at 200bar and 31°C, respectively. The co-solvent mixture was also composed of CHCl3/heptane (35/65 v/v) and a gradient from 15 to 60% of co-solvent in 2.2min was employed. The results demonstrated that CCD is a powerful tool for the optimization of SFC/ELSD method and the response surface model analysis can provide statistical understandings of the significant factors required to achieve optimal separation and ELSD sensitivity. Copyright © 2014 Elsevier B.V. All rights reserved.

Recent Advances In Science Support For Isolated Droplet Combustion Experiments

NASA Technical Reports Server (NTRS)

Dryer, F. L.; Kazakov, A.; Urban, B. D.; Kroenlein, K.

2003-01-01

In a joint program involving Prof. F.A. Williams of the University of California, San Diego and Dr. V. Nayagam of the National Center for Microgravity Research, the combustion characteristics of isolated liquid fuel droplets of n-heptane, n-decane, methanol, methanol-water, ethanol and ethanol-water having initial diameters between about 1 mm and 6 mm continues to be investigated. The objectives of the work are to improve fundamental knowledge of droplet combustion dynamics for pure fuels and fuel-water mixtures through microgravity experiments and theoretical analyses. The Princeton contributions support the engineering design, data analysis, and data interpretation requirements for the study of initially single component, spherically symmetric, isolated droplet combustion studies through experiments and numerical modeling. UCSD contributions are described in a companion communication in this conference. The Princeton effort also addresses the analyses of Fiber Supported Droplet Combustion (FSDC) experiments conducted with the above fuels and collaborative work with others who are investigating droplet combustion in the presence of steady convection. A thorough interpretation of droplet burning behavior for n-heptane and n-decane over a relatively wide range of conditions also involves the influences of sooting on the combustion behavior, and this particular aspect on isolated burning of droplets is under consideration in a collaborative program underway with Drexel University. This collaboration is addressed in another communication at this conference. The one-dimensional, time-dependent, numerical modeling approach that we have continued to evolve for analyzing isolated, quiescent droplet combustion data has been further applied to investigate several facets of isolated droplet burning of simple alcohols, n-heptane, and n-decane. Some of the new results are described below.

The Effect of Food-Simulating Agents on the Bond Strength of Hard Chairside Reline Materials to Denture Base Resin.

PubMed

Fatemi, Farzaneh Sadat; Vojdani, Mahroo; Khaledi, Amir Ali Reza

2018-06-08

To investigate the influence of food-simulating agents on the shear bond strength between direct hard liners and denture base acrylic resin. In addition, mode of failure was evaluated. One hundred fifty cylindrical columns of denture base resin were fabricated and bonded to three types of hard reline materials (Hard GC Reline, Tokuyama Rebase II Fast, TDV Cold Liner Rebase). Specimens of each reline material were divided into five groups (n = 10) to undergo 12-day immersion in distilled water, 0.02 N citric acid aqueous solution, heptane, and 40% ethanol/water solution at 37°C. The control group was not immersed in any solution. The shear bond strength test was performed, and the failure mode was determined. Statistics were analyzed with two-way ANOVA and chi-square test (α = 0.05). Significant interaction was found between the hard liners and food simulating agents (p < 0.001). The shear bond strength of Tokuyama in 40% ethanol and TDV in heptane decreased significantly (p = 0.001, p < 0.001 respectively); however, none of the solutions could significantly affect the shear bond strength of Hard GC Reline (p = 0.208). The mixed failure mode occurred more frequently in Hard GC Reline compared with the other liners (p < 0.001) and was predominant in specimens with higher bond strength values (p = 0.012). Food simulating agents did not adversely affect the shear bond strength of Hard GC Reline; however, ethanol and heptane decreased the bond strength of Tokuyama and TDV, respectively. These findings may provide support to dentists to recommend restricted consumption of some foods and beverages for patients who have to use dentures relined with certain hard liners. © 2018 by the American College of Prosthodontists.

Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents.

PubMed

Hezaveh, Samira; Samanta, Susruta; Milano, Giuseppe; Roccatano, Danilo

2012-03-28

In this paper, the conformation and dynamics properties of polyethylene oxide (PEO) and polypropylene oxide (PPO) polymer chains at 298 K have been studied in the melt and at infinite dilution condition in water, methanol, chloroform, carbon tetrachloride, and n-heptane using molecular dynamics simulations. The calculated density of PEO melt with chain lengths of n = 2, 3, 4, 5 and, for PPO, n = 7 are in good agreement with the available experimental data. The conformational properties of PEO and PPO show an increasing gauche preference for the O-C-C-O dihedral in the following order water>methanol>chloroform>carbon tetrachloride = n-heptane. On the contrary, the preference for trans conformation has a maximum in carbon tetrachloride and n-heptane followed in the order by chloroform, methanol, and water. The PEO conformational preferences are in qualitative agreement with results of NMR studies. PEO chains formed different types of hydrogen bonds with polar solvent molecules. In particular, the occurrence of bifurcated hydrogen bonding in chloroform was also observed. Radii of gyration of PEO chains of length larger than n = 9 monomers showed a good agreement with light scattering data in water and in methanol. For the shorter chains the observed deviations are probably due to the enhanced hydrophobic effects caused by the terminal methyl groups. For PEO the fitting of end-to-end distance distributions with the semi-flexible chain model at 298 K provided persistence lengths of 0.375 and 0.387 nm in water and methanol, respectively. Finally, the radius of gyration of Pluronic P85 turned out to be 2.25 ± 0.4 nm at 293 K in water in agreement with experimental data.

Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents

NASA Astrophysics Data System (ADS)

Hezaveh, Samira; Samanta, Susruta; Milano, Giuseppe; Roccatano, Danilo

2012-03-01

In this paper, the conformation and dynamics properties of polyethylene oxide (PEO) and polypropylene oxide (PPO) polymer chains at 298 K have been studied in the melt and at infinite dilution condition in water, methanol, chloroform, carbon tetrachloride, and n-heptane using molecular dynamics simulations. The calculated density of PEO melt with chain lengths of n = 2, 3, 4, 5 and, for PPO, n = 7 are in good agreement with the available experimental data. The conformational properties of PEO and PPO show an increasing gauche preference for the O-C-C-O dihedral in the following order water>methanol>chloroform>carbon tetrachloride = n-heptane. On the contrary, the preference for trans conformation has a maximum in carbon tetrachloride and n-heptane followed in the order by chloroform, methanol, and water. The PEO conformational preferences are in qualitative agreement with results of NMR studies. PEO chains formed different types of hydrogen bonds with polar solvent molecules. In particular, the occurrence of bifurcated hydrogen bonding in chloroform was also observed. Radii of gyration of PEO chains of length larger than n = 9 monomers showed a good agreement with light scattering data in water and in methanol. For the shorter chains the observed deviations are probably due to the enhanced hydrophobic effects caused by the terminal methyl groups. For PEO the fitting of end-to-end distance distributions with the semi-flexible chain model at 298 K provided persistence lengths of 0.375 and 0.387 nm in water and methanol, respectively. Finally, the radius of gyration of Pluronic P85 turned out to be 2.25 ± 0.4 nm at 293 K in water in agreement with experimental data.

Naval Open Architecture Contract Guidebook for Program Managers

DTIC Science & Technology

2010-06-30

a whole, transform inputs into outputs. [IEEE/EIA Std. 12207 /1997] “APP233/ ISO 10303” – APP233 an “Application Protocol” for Systems Engineering...Language Metadata Interchange (XMI) and AP233/ ISO 10303). The contractor shall identify the proposed standards and formats to be used. The contractor...ANSI ISO /IEC 9075-1, ISO /IEC 9075-2, ISO /IEC 9075-3, ISO /IEC 9075-4, ISO /IEC 9075-5) 2. HTML for presentation layer (e.g., XML 1.0

Analysis of Implementing Lifetime Energy Cost, Including Fully Burdened Cost of Fuel and Energy Footprints of Contractors, as Mandatory Decision Factors in Navy Acquisition

DTIC Science & Technology

2010-06-01

7 Table 2. ISO 14001 versus ISO 50001 (From: Integrated Renewable Energy , 2010...the ISO is expected to release ISO 50001 , Management System for Energy (MSE) at the end of 2010 (Pinero, 2009, pp. 18–22). Standard 50001 is based...35 Table 2. ISO 14001 versus ISO 50001 (From: Integrated Renewable Energy , 2010) 36 ISO 50001 will focus a company’s attention on

Promoting Strong ISO 50001 Outcomes with Supportive National Infrastructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

McKane, Aimee, T.; Siciliano, Graziella; de los Reyes, Pamela

The ISO 50001 standard is a key mechanism for reducing greenhouse gas emissions and improving energy efficiency globally. An increasing number of companies are seeking certification, creating the need for personnel that are competent to conduct ISO 50001 certification audits. The growth of ISO 50001 is expected to accelerate as more companies integrate ISO 50001 into their corporate sustainability strategies and supplier requirements. Robust implementation of ISO 50001 represents an important tool for countries with climate change mitigation goals. Because of its dual focus on continual improvement of an organization’s energy management system (EnMS) and its energy performance improvement, ISOmore » 50001 requires skills of both implementers and certification auditors that are not well-supported by current credentials and training. This paper describes an effort to address skill gaps of certification auditors, a critical factor to ensure that ISO 50001 implementations are robust and result in continued energy performance improvement. A collaboration of governments through the Energy Management Working Group (EMWG), formerly under Global Superior Energy Performance (GSEP), has formed to build workforce capacity for ISO 50001 certification audits. The EMWG is leading the development of an internationally-relevant certification scheme for ISO 50001 Lead Auditor that meets requirements for ISO/IEC 17024 accreditation and ISO 50003 for defining ISO 50001 Lead Auditor competency. Wider availability of competent ISO 50001 Lead Auditors will ultimately increase the impact and market value of ISO 50001 certification and improve consistency of ISO 50001 certification outcomes by establishing a standardized and high level of knowledge and skills globally.« less

Novel anisole mixture and gasoline containing the same

DOEpatents

Singerman, Gary M.

1982-01-26

A novel anisole mixture containing anisole and a mixture of alkyl anisoles and liquid hydrocarbon fuels containing said novel anisole mixture in an amount sufficient to increase the octane number of said liquid fuel composition.

Provisional Peer-Reviewed Toxicity Values for N-Heptane

EPA Science Inventory

Provisional Peer-Reviewed Toxicity Values (PPRTV) assessments are developed for use by the Agency’s Office of Land and Emergency Management (OLEM) to support informed decisions in the Superfund program and at hazardous waste sites when a values is not available in the Integrated ...

Provisional Peer-Reviewed Toxicity Values for n-Heptanal

EPA Science Inventory

Provisional Peer-Reviewed Toxicity Values (PPRTV) assessments are developed for use by the Agency’s Office of Land and Emergency Management (OLEM) to support informed decisions in the Superfund program and at hazardous waste sites when a values is not available in the Integrated ...

[Migrants from disposable gloves and residual acrylonitrile].

PubMed

Wakui, C; Kawamura, Y; Maitani, T

2001-10-01

Disposable gloves made from polyvinyl chloride with and without di(2-ethylhexyl) phthalate (PVC-DEHP, PVC-NP), polyethylene (PE), natural rubber (NR) and nitrile-butadiene rubber (NBR) were investigated with respect to evaporation residue, migrated metals, migrants and residual acrylonitrile. The evaporation residue found in n-heptane was 870-1,300 ppm from PVC-DEHP and PVC-NP, which was due to the plasticizers. Most of the PE gloves had low evaporation residue levels and migrants, except for the glove designated as antibacterial, which released copper and zinc into 4% acetic acid. For the NR and NBR gloves, the evaporation residue found in 4% acetic acid was 29-180 ppm. They also released over 10 ppm of calcium and 6 ppm of zinc into 4% acetic acid, and 1.68-8.37 ppm of zinc di-ethyldithiocarbamate and zinc di-n-butyldithiocarbamate used as vulcanization accelerators into n-heptane. The acrylonitrile content was 0.40-0.94 ppm in NBR gloves.

The joint time-frequency spectrogram structure of heptanes boilover noise

NASA Astrophysics Data System (ADS)

Xu, Qiang

2006-04-01

An experiment was conducted to study the noise characteristics in the boilover phenomena. The boilover occurs in the combustion of a liquid fuel floating on water. It will cause a sharp increase in burning rate and external radiation. Explosive burning of the fuel would cause potential safety consequence. Combustion noise accompanies the development of fire and displays different characteristics in typical period. These characteristics can be used to predict the start time of boilover. The acoustic signal in boilover procedure during the combustion of heptanes-water mixture is obtained in a set of experiments. Joint time-frequency analysis (JTFA) method is applied in the treatment of noise data. Several JTFA algorithms were used in the evaluation. These algorithms include Gabor, adaptive spectrogram, cone shape distribution, choi-williams distribution, Wigner-Ville Distribution, and Short Time Fourier Transform with different windows such as rectangular, Blackman, Hamming and Hanning. Time-frequency distribution patterns of the combustion noise are obtained, and they are compared with others from jet flow and small plastic bubble blow up.

Investigation of atmospheric pressure capillary non-thermal plasmas and their applications to the degradation of volatile organic compounds

NASA Astrophysics Data System (ADS)

Yin, Shu-Min

Atmospheric pressure capillary non-thermal plasma (AP-CNTP) has been investigated as a potential technology far the removal of volatile organic compounds (VOCs) in Advanced Life Support Systems (ALS). AP-CNTP is a destructive technology far the removal of VOCs from air streams by active plasma species, such as electrons, ions, and excited molecules. Complete VOC destruction ideally results in the formation of water, carbon dioxide (CO2), and other by-product's may also form, including ozone (O3), nitrous oxide (N2O), nitrogen dioxide (NO2), and decomposed hydrocarbons. Several organic compounds, such as BTEX, ethylene, n-heptane, isooctane, methanol and NH3, were tested in an AP-CNTP system. Parametric experiments were carried out by varying plasma discharge power, flowrates, and initial concentrations. The degradation efficiency varied depending on the chemical nature of the compounds. A plasmochemical kinetic model was derived for toluene, ethylbenzene, and m-xylene and n-heptane.

Group type analysis of asphalt by column liquid chromatography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, C.; Yang, J.; Xue, Y.

2008-07-01

An improved analysis method for characterization of asphalt was established. The method is based on column chromatography technique. The asphalts were separated into four groups: saturates, aromatics, resins, and asphaltenes, quantitatively. About 0.1 g of sample was required in each analysis. About 20 mL of n-heptanes was used to separate out saturates first. Then about 35 mL of n-heptanes/dichloromethane (.5, v/v) mixture was used to separate out aromatics. About 30 mL of dichloromethane/tetrahydrofuran (1/3, v/v) mixture was used to separate out resin. The quality of the separation was confirmed by infrared spectra (IR) and {sup 1}H NMR analysis. The modelmore » compounds, tetracosan for saturates, dibenz(o)anthracen for aromatics, and acetanilide for resins were used for verification. The IR and {sup 1}H NMR analysis of the prepared fractions from the column liquid chromatography were in good agreement that of pure reagents.« less

Relationship between platelet and urinary 8-Iso-PGF2α levels in subjects with different degrees of NOX2 regulation.

PubMed

Carnevale, Roberto; Iuliano, Luigi; Nocella, Cristina; Bartimoccia, Simona; Trapè, Stefano; Russo, Roberta; Gentile, Maria Cristina; Cangemi, Roberto; Loffredo, Lorenzo; Pignatelli, Pasquale; Violi, Francesco

2013-06-14

Urinary 8-iso-PGF2α, a marker of oxidative stress, is influenced by the activation of NOX2. It is unclear if platelets 8-iso-PGF2α contribute to urinary 8-iso-PGF2α. In a cross-sectional study, platelet, urinary, and serum 8-iso-PGF2α were determined in subjects with downregulation (X-linked chronic granulomatous disease [X-CGD], n=25) and upregulation (type II diabetic patients [T2D], n=121) of NOX2 and 153 controls matched for sex and age. In diabetic patients (n=18), the above variables were repeated before and after 7 days treatment with 100 mg/day aspirin or 100 mg/day aspirin plus 40 mg/day atorvastatin. In vitro study was performed to see the contribution of blood cells to serum 8-iso-PGF2α. Compared with controls, X-CGD patients had lower platelet, serum, and urinary 8-iso-PGF2α values; conversely, diabetic patients had higher values of 8-iso-PGF2α compared with controls. Urinary 8-iso-PGF2α significantly correlated with both platelet and serum 8-iso-PGF2α in the 2 cohorts. A parallel increase of platelet, serum, and urinary 8-iso-PGF2α by aspirin and a parallel decrease by aspirin plus atorvastatin were detected in the interventional study. In vitro study demonstrated that platelets contribute to 37% of serum 8-iso-PGF2α and that only 13% of it is of extravascular origin. The study suggests that NOX2 contributes to the formation of 8-iso-PGF2α in both platelets and urine. The direct correlation between platelet and urinary 8-iso-PGF2α suggests that, at least partly, urinary 8-iso-PGF2α reflects platelet 8-iso-PGF2α production. Analysis of serum 8-iso-PGF2α may represent a novel tool to investigate the production of 8-iso-PGF2α by blood cells including platelets. URL: ClinicalTrials.gov. Unique Identifier: NCT01250340.

Highly durable, coking and sulfur tolerant, fuel-flexible protonic ceramic fuel cells.

PubMed

Duan, Chuancheng; Kee, Robert J; Zhu, Huayang; Karakaya, Canan; Chen, Yachao; Ricote, Sandrine; Jarry, Angelique; Crumlin, Ethan J; Hook, David; Braun, Robert; Sullivan, Neal P; O'Hayre, Ryan

2018-05-01

Protonic ceramic fuel cells, like their higher-temperature solid-oxide fuel cell counterparts, can directly use both hydrogen and hydrocarbon fuels to produce electricity at potentially more than 50 per cent efficiency 1,2 . Most previous direct-hydrocarbon fuel cell research has focused on solid-oxide fuel cells based on oxygen-ion-conducting electrolytes, but carbon deposition (coking) and sulfur poisoning typically occur when such fuel cells are directly operated on hydrocarbon- and/or sulfur-containing fuels, resulting in severe performance degradation over time 3-6 . Despite studies suggesting good performance and anti-coking resistance in hydrocarbon-fuelled protonic ceramic fuel cells 2,7,8 , there have been no systematic studies of long-term durability. Here we present results from long-term testing of protonic ceramic fuel cells using a total of 11 different fuels (hydrogen, methane, domestic natural gas (with and without hydrogen sulfide), propane, n-butane, i-butane, iso-octane, methanol, ethanol and ammonia) at temperatures between 500 and 600 degrees Celsius. Several cells have been tested for over 6,000 hours, and we demonstrate excellent performance and exceptional durability (less than 1.5 per cent degradation per 1,000 hours in most cases) across all fuels without any modifications in the cell composition or architecture. Large fluctuations in temperature are tolerated, and coking is not observed even after thousands of hours of continuous operation. Finally, sulfur, a notorious poison for both low-temperature and high-temperature fuel cells, does not seem to affect the performance of protonic ceramic fuel cells when supplied at levels consistent with commercial fuels. The fuel flexibility and long-term durability demonstrated by the protonic ceramic fuel cell devices highlight the promise of this technology and its potential for commercial application.

Rapid and sensitive analytical method for monitoring of 12 organotin compounds in natural waters.

PubMed

Vahčič, Mitja; Milačič, Radmila; Sčančar, Janez

2011-03-01

A rapid analytical method for the simultaneous determination of 12 different organotin compounds (OTC): methyl-, butyl-, phenyl- and octyl-tins in natural water samples was developed. It comprises of in situ derivatisation (by using NaBEt4) of OTC in salty or fresh water sample matrix adjusted to pH 6 with Tris-citrate buffer, extraction of ethylated OTC into hexane, separation of OTC in organic phase on 15 m GC column and subsequent quantitative determination of separated OTC by ICP-MS. To optimise the pH of ethylation, phosphate, carbonate and Tris-citrate buffer were investigated alternatively to commonly applied sodium acetate - acetic acid buffer. The ethylation yields in Tris-citrate buffer were found to be better for TBT, MOcT and DOcT in comparison to commonly used acetate buffer. Iso-octane and hexane were examined as organic phase for extraction of ethylated OTC. The advantage of hexane was in its ability for quantitative determination of TMeT. GC column of 15 m in length was used for separation of studied OTC under the optimised separation conditions and its performances compared to 30 m column. The analytical method developed enables sensitive simultaneous determination of 12 different OTC and appreciably shortened analysis time in larger series of water samples. LOD's obtained for the newly developed method ranged from 0.05-0.06 ng Sn L-1 for methyl-, 0.11-0.45 ng Sn L-1 for butyl-, 0.11-0.16 ng Sn L-1 for phenyl-, and 0.07-0.10 ng Sn L-1 for octyl-tins. By applying the developed analytical method, marine water samples from the Northern Adriatic Sea containing mainly butyl- and methyl-tin species were analysed to confirm the proposed method's applicability.

Metabolism of fatty acids and lipid hydroperoxides in human body monitoring with Fourier transform Infrared Spectroscopy.

PubMed

Yoshida, Satoshi; Zhang, Qin-Zeng; Sakuyama, Shu; Matsushima, Satoshi

2009-07-24

The metabolism of dietary fatty acids in human has been measured so far using human blood cells and stable-isotope labeled fatty acids, however, no direct data was available for human peripheral tissues and other major organs. To realize the role of dietary fatty acids in human health and diseases, it would be eager to develop convenient and suitable method to monitor fatty acid metabolism in human. We have developed the measurement system in situ for human lip surface lipids using the Fourier transform infrared spectroscopy (FTIR) - attenuated total reflection (ATR) detection system with special adaptor to monitor metabolic changes of lipids in human body. As human lip surface lipids may not be much affected by skin sebum constituents and may be affected directly by the lipid constituents of diet, we could detect changes of FTIR-ATR spectra, especially at 3005 to approximately 3015 cm(-1), of lip surface polyunsaturated fatty acids in a duration time-dependent manner after intake of the docosahexaenoic acid (DHA)-containing triglyceride diet. The ingested DHA appeared on the lip surface and was detected by FTIR-ATR directly and non-invasively. It was found that the metabolic rates of DHA for male volunteer subjects with age 60s were much lower than those with age 20s. Lipid hydroperoxides were found in lip lipids which were extracted from the lip surface using a mixture of ethanol/ethylpropionate/iso-octane solvents, and were the highest in the content just before noon. The changes of lipid hydroperoxides were detected also in situ with FTIR-ATR at 968 cm(-1). The measurements of lip surface lipids with FTIR-ATR technique may advance the investigation of human lipid metabolism in situ non-invasively.

Explosion bomb measurements of ethanol-air laminar gaseous flame characteristics at pressures up to 1.4 MPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bradley, D.; Lawes, M.; Mansour, M.S.

2009-07-15

The principal burning characteristics of a laminar flame comprise the fuel vapour pressure, the laminar burning velocity, ignition delay times, Markstein numbers for strain rate and curvature, the stretch rates for the onset of flame instabilities and of flame extinction for different mixtures. With the exception of ignition delay times, measurements of these are reported and discussed for ethanol-air mixtures. The measurements were in a spherical explosion bomb, with central ignition, in the regime of a developed stable, flame between that of an under or over-driven ignition and that of an unstable flame. Pressures ranged from 0.1 to 1.4 MPa,more » temperatures from 300 to 393 K, and equivalence ratios were between 0.7 and 1.5. It was important to ensure the relatively large volume of ethanol in rich mixtures at high pressures was fully evaporated. The maximum pressure for the measurements was the highest compatible with the maximum safe working pressure of the bomb. Many of the flames soon became unstable, due to Darrieus-Landau and thermo-diffusive instabilities. This effect increased with pressure and the flame wrinkling arising from the instabilities enhanced the flame speed. Both the critical Peclet number and the, more rational, associated critical Karlovitz stretch factor were evaluated at the onset of the instability. With increasing pressure, the onset of flame instability occurred earlier. The measured values of burning velocity are expressed in terms of their variations with temperature and pressure, and these are compared with those obtained by other researchers. Some comparisons are made with the corresponding properties for iso-octane-air mixtures. (author)« less

Neonatal isoflavone exposure interferes with the reproductive system of female Wistar rats.

PubMed

Müller, Dennis R; Soukup, Sebastian T; Kurrat, Anne; Liu, Xin; Schmicke, Marion; Xie, Ming-Yong; Kulling, Sabine E; Diel, Patrick

2016-11-16

There is increasing concern about possible adverse effects of soy based infant formulas (SBIF) due to their high amount of isoflavones (ISO). The aim of the present study was to investigate effects of neonatal exposure to ISO on reproductive system of female Wistar rats. Animals were exposed to an ISO depleted diet or a diet enriched with an ISO extract (IRD; 508mg ISO/kg) during embryogenesis and adolescence. Pups of each group were fed daily by pipette with ISO-suspension (ISO+; 32mg ISO/kg bw) or placebo from postnatal day (PND) 1 until PND23 resulting in plasma concentrations similar to levels reported in infants fed SBIF. The visceral fat mass was reduced by long-term IRD. Vaginal epithelial height was increased at PND23 and vaginal opening was precocious in ISO+ groups. Later in life, more often irregular estrus cycles were observed in rats of ISO+ groups. In addition, FSH levels and uterine epithelial heights were increased at PND80 in ISO+ groups. In summary, the results indicate that neonatal ISO intake, resulting in plasma concentrations achievable through SBIF, has an estrogenic effect on prepubertal rats and influences female reproductive tract later in life. Copyright © 2016. Published by Elsevier Ireland Ltd.

Isobutanol production from bioenergy crops

USDA-ARS?s Scientific Manuscript database

Isobutanol has particularly received strong attention due to its attributes as a potential fuel, such as relatively high energy content, diminished flammability and hygroscopicity, high octane value, and compatibility with gasoline. Whereas isobutanol is produced industrially via carbonylation (inc...

U.S. GASOLINE COMPOSITION STUDY

EPA Science Inventory

This presentation presents results from a 2004/2005 study of U.S. gasoline composition. Differences in composition are driven by regulation, octane requirements, refining methods, and performance needs. Major differences in composition were traced to a few compounds: benzene, MTB...

Update of MMT assessment

EPA Science Inventory

Methylcyclopentadienyl manganese tricarbonyl (MMT) is added to gasoline to increase its octane rating. As a metal additive with potential for widespread use and manganese (Mn) exposure implications, MMT has been the focus of numerous analyses and debates about its potential publi...

Fish Tissue Data for Monitoring Remedy Effectiveness

EPA Science Inventory

This presentation will focus on the contaminant properties and biological/life history considerations associated with obtaining representative data. For nonionic organic chemicals, the key contaminant properties are the hydrophobicity of the chemical (expressed using the n-octan...

Alternative Fuels DISI Engine Research ? Autoignition Metrics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sjoberg, Carl Magnus Goran; Vuilleumier, David

Improved engine efficiency is required to comply with future fuel economy standards. Alternative fuels have the potential to enable more efficient engines while addressing concerns about energy security. This project contributes to the science base needed by industry to develop highly efficient direct injection spark igniton (DISI) engines that also beneficially exploit the different properties of alternative fuels. Here, the emphasis is on quantifying autoignition behavior for a range of spark-ignited engine conditions, including directly injected boosted conditions. The efficiency of stoichiometrically operated spark ignition engines is often limited by fuel-oxidizer end-gas autoignition, which can result in engine knock. Amore » fuel’s knock resistance is assessed empirically by the Research Octane Number (RON) and Motor Octane Number (MON) tests. By clarifying how these two tests relate to the autoignition behavior of conventional and alternative fuel formulations, fuel design guidelines for enhanced engine efficiency can be developed.« less

Fusion and Compatibility of Camphor and Octane Plasmids in Pseudomonas

PubMed Central

Chou, George I. N.; Katz, Dvorah; Gunsalus, I. C.

1974-01-01

The octane (OCT) plasmid in Pseudomonas putida derived from the ω-hydroxylase-carrying strain of Coon and coworkers is transferable to the camphor (CAM) plasmid-bearing strain by conjugation or by transduction. While the majority of the Cam +Oct+ exconjugants segregate Cam+ or Oct+ cells, exconjugants with stable Cam +Oct+ phenotype (CAM-OCT) can be detected at a low frequency. The transductants are all of the CAM-OCT phenotype. In the stable Cam +Oct+ strains, the OCT plasmid resembles the CAM plasmid with respect to curing by mitomycin C, transfer in conjugation, and reaction to ts (temperature-sensitive) mutation specifically affecting CAM plasmid replication. Therefore, it is suggested that certain regions of homology exist between the CAM and OCT plasmids that enable them to recombine to form a single plasmid, and to overcome the incompatibility barrier that prevents their coexisting. PMID:4527812

Uptake of VOC by sunflower

NASA Astrophysics Data System (ADS)

Folkers, A.; Miebach, M.; Kleist, E.; Wildt, J.

2003-04-01

To study potential VOC uptake by plants we exposed sunflower (Helianthus annuus) to different VOC in continuously stirred tank reactors. For many VOC like methanol, ethanol, acetone, methylvinylketone, isoprene or limonene no uptake was detectable within the accuracy of our analytic set up. Other VOC like hexanal, octanal, (E)-3-hexenol and nopinone were taken up by sunflower. The uptake was related to stomatal aperture. Obviously, these VOC enter the plants through stomata. In case of hexanal, octanal, and (E)-3-hexenol the uptake was only limited by stomatal aperture implying that these VOC are rapidly metabolised. For nopinone the uptake seems to be limited by a slow metabolization. Estimations of deposition velocities showed that dry deposition of these compounds cannot be neglected as sink if diffusion through stomata is the limiting step for dry deposition. In such cases the lifetime with respect to dry deposiotion is comparable to the lifetime with respect to oxidation by hydroxyl radicals.

Results from service tests on AI-91 gasoline

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turovskii, F.V.; Bakaleinik, A.M.; Belyaev, A.A.

1988-01-01

Research was conducted to establish whether the operational reliability of engines will be affected by the use of a gasoline with an octane number two points lower than that of commercial AI-93 leaded gasoline with knock resistance in acceleration that is better than that of the AI-93 by approximately the same amount. Extended road tests were run in VAZ-2106 and Moskvich-2140 automobiles using gasoline with a research octane number of 91, containing an antiknock additive based on tetramethyl lead, and AI-93. The experimental AI-91 and the commercial AI-93 gasolines were prepared from the same base blend. Average specific fuel consumptionsmore » were identical for automobiles using AI-93 and AI-91 with the tetramethyl lead additive. For automobiles using AI-91 with the additive and with ethyl bromide as a lead scavenger the fuel consumption was 2% lower.« less

A historical analysis of the co-evolution of gasoline octane number and spark-ignition engines

DOE PAGES

Splitter, Derek A.; Pawlowski, Alex E.; Wagner, Robert M.

2016-01-06

In our work, the authors reviewed engine, vehicle, and fuel data since 1925 to examine the historical and recent coupling of compression ratio and fuel antiknock properties (i.e., octane number) in the U.S. light-duty vehicle market. The analysis identified historical timeframes, trends, and illustrated how three factors: consumer preferences, technical capabilities, and regulatory legislation, affect personal mobility. Data showed that throughout history these three factors have a complex and time sensitive interplay. Long term trends in the data were identified where interaction and evolution between all three factors was observed. Transportation efficiency per unit power (gal/ton-mi/hp) was found to bemore » a good metric to integrate technical, societal, and regulatory effects into the evolutional pathway of personal mobility. From this framework, discussions of future evolutionary changes to personal mobility are also presented.« less

Analogues of the muscarinic agent 2'-methylspiro[1-azabicyclo[2.2.2]octane-3,4'-[1,3]dioxolane]: synthesis and pharmacology.

PubMed

Nordvall, G; Sundquist, S; Glas, G; Gogoll, A; Nilvebrant, L; Hacksell, U

1992-05-01

A number of tetrahydrofuran analogues of 2'-methylspiro[1-azabicyclo[2.2.2]octane-3,4'-[1,3]dioxolane] (1) have been prepared with the aim to obtain information about the relative importance of each of the oxygens in 1 for efficacy and for selectivity. In addition, the dimethyl and desmethyl analogues of 1 were prepared. The new compounds were compared to cis- and trans-1 with regard to their ability to displace (-)-[3H]-3-quinuclidinyl benzilate ((-)-[3H]QNB) from muscarinic receptors in cerebral cortex, heart, parotid gland, and urinary bladder from guinea pigs. Functional studies were made on isolated guinea pig bladder and ileum. The new compounds exhibited both lower affinity and efficacy than cis-1. A conformational study was performed, and the effects of steric and electronic factors on the biological activity of the compounds are discussed.

Computer-aided structure-affinity relationships in a set of piperazine and 3,8-diazabicyclo[3.2.1]octane derivatives binding to the μ-opioid receptor

NASA Astrophysics Data System (ADS)

Barlocco, Daniela; Cignarella, Giorgio; Greco, Giovanni; Novellino, Ettore

1993-10-01

Molecular modeling studies were carried out on a set of piperazine and 3,8-diazabicyclo[3.2.1]octane derivatives with the aim to highlight the main factors modulating their affinity for the μ-opioid receptor. Structure-affinity relationships were developed with the aid of molecular mechanics and semiempirical quantum-mechanics methods. According to our proposed pharmacodynamic model, the binding to the μ-receptor is promoted by the following physico-chemical features: the presence of hydrocarbon fragments on the nitrogen ring frame capable of interacting with one of two hypothesized hydrophobic receptor pockets; a `correct' orientation of an N-propionyl side chain so as to avoid a sterically hindered region of the receptor; the possibility of accepting a hydrogen bond from a receptor site complementary to the morphine phenol oxygen.

14N NQR study of hydrogen bonded complexes of 1,4 diazabicyclo [2,2,2] octane (ted) with phenols and thiourea

NASA Astrophysics Data System (ADS)

Murgich, Juan; Magaly, Santana R.; Diaz, Olga E.

The 14N NQR spectra of H bonded complexes of 1,4 diazabicyclo [2,2,2] octane, also known as triethylenediamine (TED), with phenol (1:2), p-chlorophenol (1:2), p-nitrophenol (1:2), hydroquinone (1:1), resorcinol (1:1) and thiourea (1:2) were observed at 77 K. The 14N frequency shifts produced by the H bonds in the TED complexes were approximately two times larger than those found for similar complexes of Hexamethylenetetramine (HMT). Such change was explained by the effect on the remaining N atoms of the increase in the number of -CH 2- groups and the decrease in N atoms in passing from HMT to TED. From the above results it seems that the inductive effect plays an important role in the formation of H bonds in tertiary amines like HMT and TED.

TURBULENT FLAME REACTOR STUDIES OF CHLORINATED HYDROCARBON DESTRUCTION EFFICIENCY

EPA Science Inventory

Four mixtures of C₁ and C₂ chlorinated hydrocarbons, diluted in heptane, were burned in a Turbulent Flame Reactor (TFR) under high and low oxygen conditions. Emissions of undestroyed feed, stable organic by-products, carbon monoxide, carbon dioxide and oxyg...

21 CFR 177.1556 - Polyaryletherketone resins.

Code of Federal Regulations, 2014 CFR

2014-04-01

... mole, as determined by light scattering measurements in sulfuric acid at room temperature. (b) Optional... at reflux temperature for 2 hours with the following solvents: Distilled water, 50 percent (by volume) ethyl alcohol in distilled water, 3 percent acetic acid (by weight) in distilled water, and n-heptane...

The American Association for Laboratory Accreditation

DTIC Science & Technology

2011-03-28

ISO / IEC 17025 ...Information Technology A2LA DoD ELAP Program n All labs are assessed to ISO / IEC 17025 :2005 as the base standard. n In addition, the requirements of 2003...n Inspection Body Accreditation ( ISO / IEC 17020) n Proficiency Testing Providers ( ISO / IEC 17043) n Reference Materials Producers ( ISO Guide

Progress in revising and supplementing fundamental optical ISO standards

NASA Astrophysics Data System (ADS)

Schuhmann, Rainer

2017-11-01

This overview reflects the ISO working group activities of ISO/TC 172 Subcommittee 1 during the last years which have resulted in revisions and new ISO standards for optical components. For ISO 10110, ISO 14999 and other standards new surface forms and metrology techniques have been considered, standards about material characteristics have been consolidated, and optical drawings have been updated. Selected examples of new improvements and future work items are given.

The CMMI Product Suite and International Standards

DTIC Science & Technology

2006-07-01

standards: “2.3 Reference Documents 2.3.1 Applicable ISO /IEC documents, including ISO /IEC 12207 and ISO /IEC 15504.” “3.1 Development User Requirements...related international standards such as ISO 9001:2000, 12207 , 15288 © 2006 by Carnegie Mellon University Page 12 Key Supplements Needed...the Measurement Framework in ISO /IEC 15504; and • the Process Reference Model included in ISO /IEC 12207 . A possible approach has been developed for

SEI Approach to Harmonization

DTIC Science & Technology

2008-07-18

PAs and PLA ISO 15504 and ISO 12207 COBIT EFQM ISO 9001 Improvement Method Elements Change management techniques: IDEAL and Six Sigma...Multimodel Improvement in Practice 12 SEI Webinar Series Northrop Grumman Mission Systems • CMMI, Six Sigma, ISO , KM • ―.. accelerate achievement of Levels...CMMI, ITIL, ISO 9001, P-CMM  ―Integrated Quality Mgmt System‖ • ―…development center…reduce[d]...in-process failure costs...5 to 1%...‖ Wipro • ISO

Measuring Operational Resilience Using the CERT(Registered) Resilience Management Model

DTIC Science & Technology

2010-09-01

such as ISO 27002 [ ISO 2005]) and then measure the implementation and performance of practices contained in the standard. This checklist-based ap...Security techniques – Code of practice for information security management. ISO /IEC 27002 :2005, June 2005. Also known as ISO /IEC 17799:2005. [ ISO 2007...Table 23: ISO 15939 Process Activities and Tasks 54 Table 24: CERT-RMM Measurement and Analysis Process Area Goals and Practices 55 CMU/SEI

Software Assurance Curriculum Project Volume 3: Master of Software Assurance Course Syllabi

DTIC Science & Technology

2011-07-01

and International Electrotechnical Commission ( ISO /IEC). ISO /IEC 27002 :2005 Information Technology – Security Techniques – Code of Practice for...Compliance and Policy (CP) practice • [ ISO 2008] ISO 27002 Section 15 Research and identify (or develop) an example of policy language that...Microsoft SDL • [Merkow 2010] Chapters 5, 6, 8 • [ ISO 2008] ISO 27002 Sections 12.1-12.5 Identify practices to mitigate selected risks for sample

DOD ELAP Lab Uncertainties

DTIC Science & Technology

2012-03-01

ISO / IEC   17025  Inspection Bodies – ISO / IEC  17020  RMPs – ISO  Guide 34 (Reference...certify to :  ISO  9001 (QMS),  ISO  14001 (EMS),   TS 16949 (US Automotive)  etc. 2 3 DoD QSM 4.2 standard   ISO / IEC   17025 :2005  Each has uncertainty...IPV6, NLLAP, NEFAP  TRAINING Programs  Certification Bodies – ISO / IEC  17021  Accreditation for  Management System 

[Update to ISO 15189:2012, and future prospects].

PubMed

Shimoda, Katsuji; Kubono, Katsuo

2014-06-01

ISO (the International Organization for Standardization) is a worldwide federation of national standard bodies (ISO member bodies). The work of preparing international standards is normally carried out through ISO technical committees. ISO 15189 was prepared by Technical Committee ISO/TC 212, clinical laboratory testing, and in vitro diagnostic test systems. This third edition replaces the second edition (ISO 15189:2007), which was technically revised. Medical laboratory services are essential for patient care and, therefore, have to be available to meet the needs of all patients and the clinical personnel responsible for the care of those patients.

On the density scaling of pVT data and transport properties for molecular and ionic liquids.

PubMed

López, Enriqueta R; Pensado, Alfonso S; Fernández, Josefa; Harris, Kenneth R

2012-06-07

In this work, a general equation of state (EOS) recently derived by Grzybowski et al. [Phys. Rev. E 83, 041505 (2011)] is applied to 51 molecular and ionic liquids in order to perform density scaling of pVT data employing the scaling exponent γ(EOS). It is found that the scaling is excellent in most cases examined. γ(EOS) values range from 6.1 for ammonia to 13.3 for the ionic liquid [C(4)C(1)im][BF(4)]. These γ(EOS) values are compared with results recently reported by us [E. R. López, A. S. Pensado, M. J. P. Comuñas, A. A. H. Pádua, J. Fernández, and K. R. Harris, J. Chem. Phys. 134, 144507 (2011)] for the scaling exponent γ obtained for several different transport properties, namely, the viscosity, self-diffusion coefficient, and electrical conductivity. For the majority of the compounds examined, γ(EOS) > γ, but for hexane, heptane, octane, cyclopentane, cyclohexane, CCl(4), dimethyl carbonate, m-xylene, and decalin, γ(EOS) < γ. In addition, we find that the γ(EOS) values are very much higher than those of γ for alcohols, pentaerythritol esters, and ionic liquids. For viscosities and the self-diffusion coefficient-temperature ratio, we have tested the relation linking EOS and dynamic scaling parameters, proposed by Paluch et al. [J. Phys. Chem. Lett. 1, 987-992 (2010)] and Grzybowski et al. [J. Chem. Phys. 133, 161101 (2010); Phys. Rev. E 82, 013501 (2010)], that is, γ = (γ(EOS)/φ) + γ(G), where φ is the stretching parameter of the modified Avramov relation for the density scaling of a transport property, and γ(G) is the Grüneisen constant. This relationship is based on data for structural relaxation times near the glass transition temperature for seven molecular liquids, including glass formers, and a single ionic liquid. For all the compounds examined in our much larger database the ratio (γ(EOS)/φ) is actually higher than γ, with the only exceptions of propylene carbonate and 1-methylnaphthalene. Therefore, it seems the relation proposed by Paluch et al. applies only in certain cases, and is really not generally applicable to liquid transport properties such as viscosities, self-diffusion coefficients or electrical conductivities when examined over broad ranges of temperature and pressure.

The effect of microfiltration on color, flavor, and functionality of 80% whey protein concentrate.

PubMed

Qiu, Y; Smith, T J; Foegeding, E A; Drake, M A

2015-09-01

The residual annatto colorant in fluid Cheddar cheese whey is bleached to provide a neutral-colored final product. Currently, hydrogen peroxide (HP) and benzoyl peroxide are used for bleaching liquid whey. However, previous studies have shown that chemical bleaching causes off-flavor formation, mainly due to lipid oxidation and protein degradation. The objective of this study was to evaluate the efficacy of microfiltration (MF) on norbixin removal and to compare flavor and functionality of 80% whey protein concentrate (WPC80) from MF whey to WPC80 from whey bleached with HP or lactoperoxidase (LP). Cheddar cheese whey was manufactured from colored, pasteurized milk. The fluid whey was pasteurized and fat separated. Liquid whey was subjected to 4 different treatments: control (no bleaching; 50°C, 1 h), HP (250 mg of HP/kg; 50°C, 1 h), and LP (20 mg of HP/kg; 50°C, 1 h), or MF (microfiltration; 50°C, 1 h). The treated whey was then ultrafiltered, diafiltered, and spray-dried to 80% concentrate. The entire experiment was replicated 3 times. Proximate analyses, color, functionality, descriptive sensory and instrumental volatile analysis were conducted on WPC80. The MF and HP- and LP-bleached WPC80 displayed a 39.5, 40.9, and 92.8% norbixin decrease, respectively. The HP and LP WPC80 had higher cardboard flavors and distinct cabbage flavor compared with the unbleached and MF WPC80. Volatile compound results were consistent with sensory results. The HP and LP WPC80 were higher in lipid oxidation compounds (especially heptanal, hexanal, pentanal, 1-hexen-3-one, 2-pentylfuran, and octanal) compared with unbleached and MF WPC80. All WPC80 had >85% solubility across the pH range of 3 to 7. The microstructure of MF gels determined by confocal laser scanning showed an increased protein particle size in the gel network. MF WPC80 also had larger storage modulus values, indicating higher gel firmness. Based on bleaching efficacy comparable to chemical bleaching with HP, flavor, and functionality results, MF is a viable alternative to chemical or enzymatic bleaching of fluid whey. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Applied radiation physics: The use of x-rays for the structural characterization of aqueous emulsions and the development of new insect sterilization protocols

NASA Astrophysics Data System (ADS)

Brar, Ramaninder K.

X-rays have great potential of applications in a wide variety of fields. This dissertation presents the use of x-rays for the structural characterization of aqueous emulsions and for insect sterilization. The stabilization of hydrophobic colloids, such as oil droplets, in water has attracted scientist for a variety of scientific, pharmaceutical and industrial applications. Several studies have been done to understand the stability of oil-in-water emulsions. The work of Pashley and his coworkers has demonstrated that the removal of dissolved gasses from water enhances the dispersion of hydrophobic oil in water and these surfactant-free emulsions do not lose their stability when the previously removed gasses are reintroduced. However, very little is known about the structure and stability of these emulsions over time or even to what extent they form. The formation of a stable emulsion in the complete absence of a surfactant could provide an alternative approach to a physiologically safe drug carrier. In this dissertation we demonstrate the formation of stabilized surfactant-free degassed emulsions of hydrocarbons - hexane, heptane and octane and silicone oil in ultra-pure water. The enhancement of dispersion of oil droplets by degassing was large for highly hydrophobic silicone oil. Turbidity measurements and small angle x-ray scattering results show that the uniformly dispersed oil droplets weakly aggregate over a period of several hours. Gentle perturbation re-generates the dispersion to nearly initial conditions. The control of insect species for the protection of crops, livestock, and prevention of disease, such as dengue fever and malaria, is a high priority in today's global economy. Sterile Insect Technique (SIT), a method of insect extermination without the use of pesticides, has proven very effective in eradicating certain dipteran insect populations. However, when standard sterilization methods developed for dipterans are applied to mosquito populations significant complications arise, such as an inability to compete with non-irradiated males and high mortality rates. To improve mosquito SIT, we have developed new radiation protocols for insect sterilization using long wavelength x-rays. Our results have demonstrated that longer wavelength x-rays have a significant effect on the outcome of the sterile males' longevity as well as on the efficacy of sterilization while employing a substantially lower dose.

Migration and sensory properties of plastics-based nets used as food-contacting materials under ambient and high temperature heating conditions.

PubMed

Kontominas, M G; Goulas, A E; Badeka, A V; Nerantzaki, A

2006-06-01

Overall migration from a wide range of commercial plastics-based netting materials destined to be used as either meat or vegetable packaging materials into the fatty food simulant isooctane or the aqueous simulant distilled water, respectively, was studied. In addition, sensory tests of representative netting materials were carried out in bottled water in order to investigate possible development of off-odour/taste and discoloration in this food simulant as a result of migration from the netting material. Sensory tests were supplemented by determination of the volatile compounds' profile in table water exposed to the netting materials using SPME-GC/MS. Test conditions for packaging material/food simulant contact and method of overall migration analysis were according to European Union Directives 90/128 (EEC, 1990) and 2002/72 (EEC, 2002). The results showed that for both PET and polyethylene-based netting materials, overall migration values into distilled water ranged between 11.5 and 48.5 mg l(-1), well below the upper limit (60 mg l(-1)) for overall migration values from plastics-packaging materials set by the European Union. The overall migration values from netting materials into isooctane ranged between 38.0 and 624.0 mg l(-1), both below and above the European Union upper limit for migration. Sensory tests involving contact of representative samples with table water under refluxing (100 degrees C/4 h) conditions showed a number of the netting materials produced both off-odour and/or taste as well as discoloration of the food simulant rendering such materials unfit for the packaging of foodstuffs in applications involving heating at elevated temperatures. GC/MS analysis showed the presence of numerous volatile compounds being produced after netting materials/water contact under refluxing conditions. Although it is extremely difficult to establish a clear correlation between sensory off-odour development and GC/MS volatile compounds' profile, it may be postulated that plastics oxidation products such as hexanal, heptanal, octanal and 2,6 di-tert-butylquinone may contribute to off-odour development using commercially bottled table water as a food simulant. Likewise, compounds such as carbon disulfide, [1,1'-biphenyl]-2-ol and propanoic acid, 2 methyl 1-(1,1-dimethyl)-2-methyl-1,3-propanediyl ester probably originating from cotton and rubber components of netting materials may also contribute to off-odour/taste development.

Interpreting contact angle results under air, water and oil for the same surfaces

NASA Astrophysics Data System (ADS)

Ozkan, Orkun; Yildirim Erbil, H.

2017-06-01

Under-water and under-oil superhydropobicity and superhydrophilicity have gained significant attention over the last few years. In this study, contact angles on five flat surfaces (polypropylene, poly(methyl methacrylate), polycarbonate, TEFLON-FEP and glass slide) were measured in water drop-in-air, air bubble-under-water, oil drop-in-air, air bubble-under-oil, oil drop-under-water and water drop-under-oil conditions. Heptane, octane, nonane, decane, dodecane, and hexadecane hydrocarbons were used as oils. Immiscible water/oil pairs were previously mutually saturated to provide thermodynamical equilibrium conditions and their surface and interfacial tensions were determined experimentally. These pairs were used in the two-liquid contact angle measurements. Surface free energies of the solid surfaces in air were determined independently by using the van Oss-Good method, using the contact angle results of pure water, ethylene glycol, formamide, methylene iodide and α-bromonaphalene. In addition, Zisman’s ‘critical surface tension’ values were also determined for comparison. In theory, the summation of contact angle results in a complementary case would give a total of 180° for ideal surfaces. However, it was determined that there are large deviations from this rule in practical cases and these deviations depend on surface free energies of solids. Three complementary cases of (water-in-air with air bubble-under-water); (oil-in-air with air bubble-under-oil); and (oil-under-water with water-under-oil) were investigated in particular to determine the deviations from ideality. A novel approach, named ‘complementary hysteresis’ [γ WA(cosθ 1  -  cosθ 2) and γ OW(cosθ 6  -  cosθ 5)] was developed where γ WA and γ OW represent the interfacial tensions of water/air and oil/water, and θ 1, θ 2, θ 5, and θ 6 were the contact angles of water/air, air bubble/water, oil/water and water/oil respectively. It was experimentally determined that complementary hysteresis varies almost linearly with the surface free energy of the flat solid samples. This is the first report showing the relation of the surface free energy of a solid which is determined under-air with the contact angles obtained on the same solid in different three-phase systems.

Increased F3-Isoprostanes in the Canadian Inuit Population Could Be Cardioprotective by Limiting F2-Isoprostane Production.

PubMed

Alkazemi, Dalal; Jackson, Robert L; Chan, Hing Man; Kubow, Stan

2016-09-01

F3-isoprostanes (F3-IsoPs), derived from peroxidation of eicosapentaenoic acid (C20:5n-3), could be cardioprotective by limiting production of F2-isoprostanes (F2-IsoPs), a cardiovascular disease risk factor. The objective of the study was to determine whether the n-3-polyunsaturated (PUFA)-rich Inuit diet is associated with a lower plasma ratio of F2-IsoPs to F3-IsoPs. This was a cross-sectional observational study. The study was conducted in 36 Canadian Arctic Inuit communities. Participants included a random subset (n = 233) of Inuit adults taken from a population-based survey. Plasma F2-IsoPs and F3-IsoPs, cardiometabolic risk factors (blood lipids, C-reactive protein, blood pressure, fasting glucose) and markers of dietary exposure (erythrocyte n-3 and n-6 PUFA, blood levels of Se, mercury, polychlorinated biphenyls) were measured. Inuit aged 40 years old and older vs younger Inuit showed higher concentrations of plasma F3-IsoPs and erythrocyte n-3 PUFA and lower plasma F2-IsoPs concentrations despite having higher blood lipids, fasting glucose, systolic blood pressure, and percentage body fat. Plasma F3-IsoPs were not associated with any cardiometabolic measures. When subjects were categorized into tertiles according to total n-3 PUFA erythrocyte concentrations, F3-IsoPs increased with increasing tertiles, whereas the F2-IsoP to F3-IsoP ratio was lowest at the highest n-3 tertile. The F2-IsoP to F3-IsoP ratio was significantly predicted by C20:5n-3 (β= -.365, P = .002); C20:4n-6:C20:5n-3 (β = .056, P = .006), blood mercury (β = -.812, P =.015), blood Se (β = -1.95, P = .015), and smoking (β = .745, P = .025). Plasma F3-IsoPs were not associated with cardiometabolic risk factors previously seen with F2-IsoPs. Higher n-3 fatty acid status was associated with lower plasma F2-IsoPs and higher plasma F3-IsoPs, which provides partial explanation to the cardioprotective effects of the n-3 PUFA-rich Inuit diet.

Evaluation of Mobil OCTGAIN{trademark} technology for the manufacture of reformulated gasoline via LP modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poddar, S.K.; Chum, K.; Ragsdale, R.

1995-09-01

Sulfur and olefins content of gasoline come primarily from the cat-cracked blendstock. Therefore hydrotreating cat cracked naphtha is a straight forward approach to reduce sulfur and olefin contents of gasoline and thereby reduce auto exhaust emission. However, this approach reduces the Octane number of gasoline which requires addition of Octane enhancer like MTBE to meet the stringent requirement of 1990 Clean Air Act Amendments and to produce Reformulated Gasoline (RFG). The paper examines the economic incentives of an innovative process technology which was developed and commercialized by Mobil known as OCTGAIN. The process utilizes fixed bed low pressure hardware andmore » uses a Mobil proprietary catalyst system to produce catalytically cracked (CC) gasoline component with thorough desulfurization and olefin reduction and practically no loss in Octane number. The economic evaluation of the OCTGAIN technology was conducted with Bechtel`s proprietary linear programming software, Process Industry Modeling System by introducing an OCTGAIN process block to a typical PADD-3 refinery configuration for gasoline production and satisfying RFG specifications. The results of the evaluation which involved twenty case studies, show that within the limitations of the study scope, the introduction of OCTGAIN technology creates a definite economic incentive over conventional hydrofinishing of CC naphtha. The profitability of OCTGAIN technology is dependent on the aromatics component of the gasoline pool. The economic advantage of OCTGAIN technology is realized primarily by higher production of premium gasoline and the ability to process lower cost high sulfur crude. The process also allows a better utilization of the FCCU and hydrocracker, if the refinery operation permits.« less

Isolevuglandin adducts in disease.

PubMed

Salomon, Robert G; Bi, Wenzhao

2015-06-20

A diverse family of lipid-derived levulinaldehydes, isolevuglandins (isoLGs), is produced by rearrangement of endoperoxide intermediates generated through both cyclooxygenase (COX) and free radical-induced cyclooxygenation of polyunsaturated fatty acids and their phospholipid esters. The formation and reactions of isoLGs with other biomolecules has been linked to alcoholic liver disease, Alzheimer's disease, age-related macular degeneration, atherosclerosis, cardiac arythmias, cancer, end-stage renal disease, glaucoma, inflammation of allergies and infection, mitochondrial dysfunction, multiple sclerosis, and thrombosis. This review chronicles progress in understanding the chemistry of isoLGs, detecting their production in vivo and understanding their biological consequences. IsoLGs have never been isolated from biological sources, because they form adducts with primary amino groups of other biomolecules within seconds. Chemical synthesis enabled investigation of isoLG chemistry and detection of isoLG adducts present in vivo. The first peptide mapping and sequencing of an isoLG-modified protein present in human retina identified the modification of a specific lysyl residue of the sterol C27-hydroxylase Cyp27A1. This residue is preferentially modified by iso[4]LGE2 in vitro, causing loss of function. Adduction of less than one equivalent of isoLG can induce COX-associated oligomerization of the amyloid peptide Aβ1-42. Adduction of isoLGE2 to phosphatidylethanolamines causes gain of function, converting them into proinflammatory isoLGE2-PE agonists that foster monocyte adhesion to endothelial cells. Among the remaining questions on the biochemistry of isoLGs are the dependence of biological activity on isoLG isomer structure, the structures and mechanism of isoLG-derived protein-protein and DNA-protein cross-link formation, and its biological consequences.

ASSIP Study of Real-Time Safety-Critical Embedded Software-Intensive System Engineering Practices

DTIC Science & Technology

2008-02-01

and assessment 2. product engineering processes 3. tooling processes 6 | CMU/SEI-2008-SR-001 Slide 1 Process Standards IEC/ ISO 12207 Software...and technical effort to align with 12207 IEC/ ISO 15026 System & Software Integrity Levels Generic Safety SAE ARP 4754 Certification Considerations...Process Frameworks in revision – ISO 9001, ISO 9004 – ISO 15288/ ISO 12207 harmonization – RTCA DO-178B, MOD Standard UK 00-56/3, … • Methods & Tools

ANSI-ASQ National Accreditation Board /ACLASS

DTIC Science & Technology

2011-03-28

unclassified c. THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18  Laboratories – ISO / IEC 17025  Inspection...Bodies – ISO / IEC 17020  RMPs – ISO Guide 34 (Reference Materials)  PT Providers – ISO 17043  Product Certifiers – ISO Guide 65  Government...Programs: DoD ELAP, EPA Energy Star, CPSC Toy Safety, NRC, NIST IPV6, NLLAP, NEFAP  TRAINING Programs  Certification Bodies – ISO / IEC 17021

Benchmarking Software Assurance Implementation

DTIC Science & Technology

2011-05-18

product The chicken#. (a.k.a. Process Focused Assessment ) – Management Systems ( ISO 9001, ISO 27001 , ISO 2000) – Capability Maturity Models (CMMI...Assurance PRM, RMM, Assurance for CMMI)) – Lifecycle Processes ( ISO /IEEE 15288, ISO /IEEE 12207) – COBIT, ITIL, MS SDL, OSAMM, BSIMM 5 The egg...a.k.a Product Focused Assessments) – SCAP - NIST-SCAP – ISO /OMG W3C – KDM, BPMN, RIF, XMI, RDF – OWASP Top 10 – SANS TOP 25 – Secure Code Check Lists

75 FR 29530 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-26

...: ER07-397-005. Applicants: ISO New England Inc. and New England Power Pool. Description: ISO New England Inc et. al submit revision to Section III.13 of the ISO Tariff in response to the compliance... Independent System Operator Corporation submits amendments to the ISO's amendment to the ISO Tariff filed on 3...

Determining the Effects of Ethanol on Pump Station Facilities

DOT National Transportation Integrated Search

2010-04-23

Ethanol has been used for the last several years as an environmentally friendly alternative to methyl tertbutyl ether (MTBE), which is an oxygenate additive to gasoline, to increase octane levels, and to facilitate the combustion process. However, th...

Polymerization of Fluoroalkyl Polyhedral Oligomeric Silsesquioxane (F-POSS) Macromers

DTIC Science & Technology

2012-12-01

mm Methanol Octane Methylene Iodide Water Superhydrophobic /oleophilic dip-coated fabric Tuteja et al, Science, 2007, 318, 1618 Superamphiphobic...robust superhydrophobic /oleophobic/omniphobic surfaces • Via covalently attached F-POSS to substrate (surface, nanoparticle, polymer matrix) – Effects

Titer improvement of iso-migrastatin in selected heterologous Streptomyces hosts and related analysis of mRNA expression by quantitative RT–PCR

PubMed Central

Yang, Dong; Zhu, Xiangcheng; Wu, Xueyun; Feng, Zhiyang; Huang, Lei; Shen, Ben; Xu, Zhinan

2011-01-01

iso-Migrastatin (iso-MGS) has been actively pursued recently as an outstanding candidate of antimetastasis agents. Having characterized the iso-MGS biosynthetic gene cluster from its native producer Streptomyces platensis NRRL 18993, we have recently succeeded in producing iso-MGS in five selected heterologous Streptomyces hosts, albeit the low titers failed to meet expectations and cast doubt on the utility of this novel technique for large-scale production. To further explore and capitalize on the production capacity of these hosts, a thorough investigation of these five engineered strains with three fermentation media for iso-MGS production was undertaken. Streptomyces albus J1074 and Streptomyces lividans K4-114 were found to be preferred heterologous hosts, and subsequent analysis of carbon and nitrogen sources revealed that sucrose and yeast extract were ideal for iso-MGS production. After the initial optimization, the titers of iso-MGS in all five hosts were considerably improved by 3–18-fold in the optimized R2YE medium. Furthermore, the iso-MGS titer of S. albus J1074 (pBS11001) was significantly improved to 186.7 mg/L by a hybrid medium strategy. Addition of NaHCO3 to the latter finally afforded an optimized iso-MGS titer of 213.8 mg/L, about 5-fold higher than the originally reported system. With S. albus J1074 (pBS11001) as a model host, the expression of iso-MGS gene cluster in four different media was systematically studied via the quantitative RT–PCR technology. The resultant comparison revealed the correlation of gene expression and iso-MGS production for the first time; synchronous expression of the whole gene cluster was crucial for optimal iso-MGS production. These results reveal new insights into the iso-MGS biosynthetic machinery in heterologous hosts and provide the primary data to realize large-scale production of iso-MGS for further preclinical studies. PMID:21132287

Physical and Chemical Processes in Flames

DTIC Science & Technology

2010-02-15

Results: Use of comprehensively validated reduced chemical kinetic mechanism allows realistic description of methane oxidation chemistry with NOx ...PERFORMING ORGANIZATION REPORT NUMBER Department of Mechanical and Aerospace Engineering Princeton University Princeton, NJ 08544... mechanism reduction; skeletal mechanism ; CO/H2 oxidation; ethylene oxidation; heptane oxidation; directed relation graph; high-pressure combustion

Continuous and Batch Distillation in an Oldershaw Tray Column

ERIC Educational Resources Information Center

Silva, Carlos M.; Vaz, Raquel V.; Santiago, Ana S.; Lito, Patricia F.

2011-01-01

The importance of distillation in the separation field prompts the inclusion of distillation experiments in the chemical engineering curricula. This work describes the performance of an Oldershaw column in the rectification of a cyclohexane/n-heptane mixture. Total reflux distillation, continuous rectification under partial reflux, and batch…

21 CFR 177.1380 - Fluorocarbon resins.

Code of Federal Regulations, 2011 CFR

2011-04-01

... resin pellets, when extracted with 100 milliliters of distilled water at reflux temperature for 8 hours... distilled water at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.003 percent... milliliters of n-heptane at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.01...

21 CFR 177.1380 - Fluorocarbon resins.

Code of Federal Regulations, 2012 CFR

2012-04-01

... resin pellets, when extracted with 100 milliliters of distilled water at reflux temperature for 8 hours... distilled water at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.003 percent... milliliters of n-heptane at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.01...

21 CFR 177.1380 - Fluorocarbon resins.

Code of Federal Regulations, 2010 CFR

2010-04-01

... resin pellets, when extracted with 100 milliliters of distilled water at reflux temperature for 8 hours... distilled water at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.003 percent... milliliters of n-heptane at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.01...

21 CFR 177.1380 - Fluorocarbon resins.

Code of Federal Regulations, 2014 CFR

2014-04-01

... pellets, when extracted with 100 milliliters of distilled water at reflux temperature for 8 hours, shall... distilled water at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.003 percent... milliliters of n-heptane at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.01...

21 CFR 177.1380 - Fluorocarbon resins.

Code of Federal Regulations, 2013 CFR

2013-04-01

... resin pellets, when extracted with 100 milliliters of distilled water at reflux temperature for 8 hours... distilled water at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.003 percent... milliliters of n-heptane at reflux temperature for 8 hours, shall yield total extractives not to exceed 0.01...

Software Assurance in Acquisition: Mitigating Risks to the Enterprise. A Reference Guide for Security-Enhanced Software Acquisition and Outsourcing

DTIC Science & Technology

2009-02-01

management, available at <http://www.iso.org/ iso /en/CatalogueDetailPage.CatalogueDetail?CSNUMBER=39612&ICS1=35&ICS2=40 &ICS3=>. ISO /IEC 27001 . Information...Management of the Systems Engineering Process. [ ISO /IEC 27001 ] ISO /IEC 27001 :2005. Information technology -- Security techniques -- Information security...software life cycles [ ISO /IEC 15026]. Software assurance is a key element of national security and homeland security. It is critical because dramatic

The neuroprotective effects of α-iso-cubebene on dopaminergic cell death: involvement of CREB/Nrf2 signaling.

PubMed

Park, Sun Young; Son, Beung Gu; Park, Young Hoon; Kim, Cheol-Min; Park, Geuntae; Choi, Young-Whan

2014-09-01

As a part of ongoing studies to elucidate pharmacologically active components of Schisandra chinensis, we isolated and studied α-iso-cubebene. The neuroprotective mechanisms of α-iso-cubebene in human neuroblastoma SH-SY5Y cells were investigated. α-Iso-cubebene significantly inhibited cytotoxicity and apoptosis due to 6-hydroxydopamine (6-OHDA)-induced neurotoxicity in dopaminergic SH-SY5Y cells. Pretreatment of cells with α-iso-cubebene reduced intracellular accumulation of ROS and calcium in response to 6-OHDA. The neuroprotective effects of α-iso-cubebene were found to result from protecting the mitochondrial membrane potential. Notably, α-iso-cubebene inhibited the release of apoptosis-inducing factor from the mitochondria into the cytosol and nucleus after 6-OHDA treatment. α-Iso-cubebene also induced the activation of PKA/PKB/CREB/Nrf2 and suppressed 6-OHDA-induced neurotoxicity. α-Iso-cubebene was found to induce phosphorylation of PKA and PKB and activate Nrf2 and CREB signaling pathways in a dose-dependent manner. Additionally, α-iso-cubebene stimulated the expression of the antioxidant response genes NQO1 and HO-1. Finally, α-iso-cubebene-mediated neuroprotective effects were found to be reversible after transfection with CREB and Nrf2 small interfering RNAs.

A Global Photoionization Response to Prompt Emission and Outliers: Different Origin of Long Gamma-ray Bursts?

NASA Astrophysics Data System (ADS)

Wang, J.; Xin, L. P.; Qiu, Y. L.; Xu, D. W.; Wei, J. Y.

2018-03-01

By using the line ratio C IV λ1549/C II λ1335 as a tracer of the ionization ratio of the interstellar medium (ISM) illuminated by a long gamma-ray burst (LGRB), we identify a global photoionization response of the ionization ratio to the photon luminosity of the prompt emission assessed by either L iso/E peak or {L}iso}/{E}peak}2. The ionization ratio increases with both L iso/E peak and L iso/E 2 peak for a majority of the LGRBs in our sample, although there are a few outliers. The identified dependence of C IV/C II on {L}iso}/{E}peak}2 suggests that the scatter of the widely accepted Amati relation is related to the ionization ratio in the ISM. The outliers tend to have relatively high C IV/C II values as well as relatively high C IV λ1549/Si IV λ1403 ratios, which suggests an existence of Wolf–Rayet stars in the environment of these LGRBs. We finally argue that the outliers and the LGRBs following the identified C IV/C II‑L iso/E peak ({L}iso}/{E}peak}2) correlation might come from different progenitors with different local environments.

75 FR 8321 - Notice of Attendance at Nepool Meetings

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-24

... meeting information, see http://www.iso-ne.com/committees/comm_wkgrps/index.html . The discussions at each.... ER07-397, ISO New England Inc. and the New England Power Pool Participants Committee Docket No. ER08-633, ISO New England Inc. Docket No. ER08-830, ISO New England Inc. Docket No. ER08-1209, ISO New...

CMMI(Registered) for Development, Version 1.3

DTIC Science & Technology

2010-11-01

ISO /IEC 15288:2008 Systems and Software Engineering – System Life Cycle Processes [ ISO 2008b] ISO /IEC 27001 :2005 Information technology – Security...IEC 2005 International Organization for Standardization and International Electrotechnical Commission. ISO /IEC 27001 Information Technology...International Electrotechnical Commission ( ISO /IEC) body of standards. CMMs focus on improving processes in an organization. They contain the

CMMI(Registered) for Services, Version 1.3

DTIC Science & Technology

2010-11-01

ISO 2008b] ISO /IEC 27001 :2005 Information technology – Security techniques – Information Security Management Systems – Requirements [ ISO /IEC 2005...Commission. ISO /IEC 27001 Information Technology – Security Techniques – Information Security Management Systems – Requirements, 2005. http...CMM or International Organization for Standardization ( ISO ) 9001, you will immediately recognize many similarities in their structure and content

75 FR 7581 - RTO/ISO Performance Metrics; Notice Requesting Comments on RTO/ISO Performance Metrics

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-22

... performance communicate about the benefits of RTOs and, where appropriate, (2) changes that need to be made to... of staff from all the jurisdictional ISOs/RTOs to develop a set of performance metrics that the ISOs/RTOs will use to report annually to the Commission. Commission staff and representatives from the ISOs...

Implementing the DoD Joint Operation Planning Process for Private Industry Enterprise Security

DTIC Science & Technology

2011-09-01

Standards Organization’s ( ISO ) ISO 27001 ( ISO 27002 defines the controls), and the IT Service Management Forum’s Information Technology Infrastructure...27001 certification. 24 Alberto Bastos and Rosangela Caubit, ISO 27001 and 27002 : Information...includes: 90,000 records lost from Booz Allen Hamilton; 90,000,000 26 ISO /IEC 27002 , 19 December

Electrochemical and spectroscopic study on the interaction between isoprenaline and DNA using multivariate curve resolution-alternating least squares.

PubMed

Ni, Yongnian; Wei, Min; Kokot, Serge

2011-11-01

Interaction of isoprenaline (ISO) with calf-thymus DNA was studied by spectroscopic and electrochemical methods. The behavior of ISO was investigated at a glassy carbon electrode (GCE) by cyclic voltammetry (CV) and differential pulse stripping voltammetry (DPSV); ISO was oxidized and an irreversible oxidation peak was observed. The binding constant K and the stoichiometric coefficient m of ISO with DNA were evaluated. Also, with the addition of DNA, hyperchromicity of the UV-vis absorption spectra of ISO was noted, while the fluorescence intensity decreased significantly. Multivariate curve resolution-alternating least squares (MCR-ALS) chemometrics method was applied to resolve the combined spectroscopic data matrix, which was obtained by the UV-vis and fluorescence methods. Pure spectra of ISO, DNA and ISO-DNA complex, and their concentration profiles were then successfully obtained. The results indicated that the ISO molecule intercalated into the base-pairs of DNA, and the complex of ISO-DNA was formed. Copyright © 2011 Elsevier B.V. All rights reserved.

Homogeneous double-layer amorphous Si-doped indium oxide thin-film transistors for control of turn-on voltage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kizu, Takio, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Tsukagoshi, Kazuhito, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Aikawa, Shinya

We fabricated homogeneous double-layer amorphous Si-doped indium oxide (ISO) thin-film transistors (TFTs) with an insulating ISO cap layer on top of a semiconducting ISO bottom channel layer. The homogeneously stacked ISO TFT exhibited high mobility (19.6 cm{sup 2}/V s) and normally-off characteristics after annealing in air. It exhibited normally-off characteristics because the ISO insulator suppressed oxygen desorption, which suppressed the formation of oxygen vacancies (V{sub O}) in the semiconducting ISO. Furthermore, we investigated the recovery of the double-layer ISO TFT, after a large negative shift in turn-on voltage caused by hydrogen annealing, by treating it with annealing in ozone. The recoverymore » in turn-on voltage indicates that the dense V{sub O} in the semiconducting ISO can be partially filled through the insulator ISO. Controlling molecule penetration in the homogeneous double layer is useful for adjusting the properties of TFTs in advanced oxide electronics.« less

Intraseasonal oscillation features of the South China Sea summer monsoon and its response to abnormal MJO in the tropical Indian Ocean

NASA Astrophysics Data System (ADS)

Li, Ting

2014-05-01

This paper analyzes Intraseasonal Oscillation (ISO) features and inter-annual differences of the South China Sea (SCS) Summer Monsoon (SCSSM), evolution of its Low Frequency (LF) circulation and convection fields and precipitation anomalies, and path of ISO propagation, as well as impact of MJO in tropical Indian Ocean on SCSSM ISO during 1979-2008. It is found that (1) The SCSSM ISO goes through six phases (exclusive of the weak phase) at every complete fluctuation: developing, strongest, weakening, restraining, weakest and recovering phase. Due to tropical LF convection propagating eastward and northward, the LF convection and circulation in the 1st-3rd and 4th-6th phases present the anti-phase in the Arabian Sea-West Pacific zonal band. Its corresponding rainy bands also present anti-phase roughly. The rainy band moves eastward with LF convection mainly in tropical regions in the south of 20° N, while moves northward in East Asia subtropical regions in the north of 20° N. (2) The SCSSM ISO intensity presents significant inter-annual difference. There are three stronger ISO in the stronger SCSSM ISO years. The first two oscillations propagates from the tropical Indian Ocean to the Bay of Bengal firstly, and then to SCS along the 10° -20° N zonal direction, stimulates the ISO to propagate to South China, forming a relay propagation path in meridional-zonal direction. Moreover, in the weaker SCSSM ISO years, the ISO weakens greatly and irregularly. In averaged conditions, the ISO propagates from tropical Indian Ocean to the SCS by about 20 days (one half ISO periods). (3) MJO1 (the first modal of MJO index provided by the Climate Prediction Center) averaged value in the 1st-2nd pentads of April has the negative correlation with the SCSSM ISO intensity. When MJO in tropical Indian Ocean is more active in the 1st-2nd pentads of April, it is stronger in the subsequent May to August, and the ISO also propagates strongly to the SCS, so that the SCSSM ISO strengthens. Conversely, the SCSSM ISO weakens. The abnormal MJO in the 1st-2nd pentads of April contributes to a certain theory basis to predict the subsequent SCSSM ISO intensity and analyze the abnormal rainfall in related regions.

[Nine-Year Experience after ISO 15189 Acquisition, How Successful was It? Focusing on the Results of Interviews and Questionnaires].

PubMed

Fujimoto, Kazumitsu; Asai, Noriaki; Nakajima, Yoshinaga; Inoue, Kaoru

2015-11-01

Our laboratory, for the purpose of Quality Management System (QMS) improvement, acquired ISO 15189:2003 accreditation 9 years ago and completed the renewal to ISO 15189:2012 last year. In this study, we reviewed the efficacy of ISO 15189 based on an analysis of laboratory director's and managers' opinions. We could realize QMS improvement through the proactive implementation of preventive and corrective actions, and also the continuous implementation of education and delivery by means of reviewing the interview records of ISO 15189:2012 renewal with the laboratory director. All answers to the questionnaire obtained from managers with regard to the advantages of ISO 15189 acquisition agreed with the purpose of ISO 15189. From these results, we concluded that ISO 15189 acquisition was successful for QMS improvement. [Review].

A Strategy for Improved System Assurance

DTIC Science & Technology

2007-06-20

Quality (Measurements Life Cycle Safety, Security & Others) ISO /IEC 12207 * Software Life Cycle Processes ISO 9001 Quality Management System...14598 Software Product Evaluation Related ISO /IEC 90003 Guidelines for the Application of ISO 9001:2000 to Computer Software IEEE 12207 Industry...Implementation of International Standard ISO /IEC 12207 IEEE 1220 Standard for Application and Management of the System Engineering Process Use in

Isoguanine and 5-Methyl-Isocytosine Bases, In Vitro and In Vivo

PubMed Central

Bande, Omprakash; Abu El Asrar, Rania; Braddick, Darren; Dumbre, Shrinivas; Pezo, Valérie; Schepers, Guy; Pinheiro, Vitor B; Lescrinier, Eveline; Holliger, Philipp; Marlière, Philippe; Herdewijn, Piet

2015-01-01

The synthesis, base-pairing properties and in vitro and in vivo characteristics of 5-methyl-isocytosine (isoCMe) and isoguanine (isoG) nucleosides, incorporated in an HNA(h) (hexitol nucleic acid)–DNA(d) mosaic backbone, are described. The required h-isoG phosphoramidite was prepared by a selective deamination as a key step. As demonstrated by Tm measurements the hexitol sugar showed slightly better mismatch discrimination against dT. The d-isoG base mispairing follows the order T>G>C while the h-isoG base mispairing follows the order G>C>T. The h- and d-isoCMe bases mainly mispair with G. Enzymatic incorporation experiments show that the hexitol backbone has a variable effect on selectivity. In the enzymatic assays, isoG misincorporates mainly with T, and isoCMe misincorporates mainly with A. Further analysis in vivo confirmed the patterns of base-pair interpretation for the deoxyribose and hexitol isoCMe/isoG bases in a cellular context, through incorporation of the bases into plasmidic DNA. Results in vivo demonstrated that mispairing and misincorporation was dependent on the backbone scaffold of the base, which indicates rational advances towards orthogonality. PMID:25684598

Elevated plasma 8-iso-prostaglandin F2α levels in human smokers originate primarily from enzymatic instead of non-enzymatic lipid peroxidation.

PubMed

van 't Erve, Thomas J; Lih, Fred B; Kadiiska, Maria B; Deterding, Leesa J; Mason, Ronald P

2018-02-01

It is widely accepted that free radicals in tobacco smoke lead to oxidative stress and generate the popular lipid peroxidation biomarker 8-iso-prostaglandin F 2α (8-iso-PGF 2α ). However, 8-iso-PGF 2α can simultaneously be produced in vivo by the prostaglandin-endoperoxide synthases (PGHS) induced by inflammation. This inflammation-dependent mechanism has never been considered as a source of elevated 8-iso-PGF 2α in tobacco smokers. The goal of this study is to quantify the distribution of chemical- and PGHS-dependent 8-iso-PGF 2α formation in the plasma of tobacco smokers and non-smokers. The influences of gender and hormonal contraceptive use were accounted for. The distribution was determined by measuring the 8-iso-PGF 2α /prostaglandin F 2α (PGF 2α ) ratio. When comparing smokers (n = 28) against non-smokers (n = 30), there was a statistically significant increase in the 8-iso-PGF 2α concentration. The source of this increased 8-iso-PGF 2α was primarily from PGHS. When stratifying for gender, the increase in 8-iso-PGF 2α in male smokers (n = 9) was primarily from PGHS. Interestingly, female smokers on hormonal contraceptives had increased 8-iso-PGF 2α in both pathways, whereas those not on hormonal contraceptives did not have increased 8-iso-PGF 2α . In conclusion, increased plasma 8-iso-PGF 2α in tobacco smokers has complex origins, with PGHS-dependent formation as the primary source. Accounting for both pathways provides a definitive measurement of both oxidative stress and inflammation. Published by Elsevier Inc.

Sensitivities of Internal Combustion Automotive Engines to Variations in Fuel Properties

DOT National Transportation Integrated Search

1982-02-01

An assessment of the sensitivity of the automotive gasoline and diesel engines to variations in fuel properties has been made. The variables studied include H/C ratio, distillation range, aromatic content, ignition quality as determined by the octane...

Plasma 8-iso-Prostaglandin F2α, a possible prognostic marker in aneurysmal subarachnoid hemorrhage.

PubMed

Pan, De-Sheng; Yan, Min; Hassan, Muhammad; Fang, Ze-Bin; Chen, Man-Tao

2017-06-01

8-iso-Prostaglandin F2α (8-iso-PGF2α) is a potential biomarker of oxidative stress. This study clarified whether plasma 8-iso-PGF2α concentrations were affected and its underlying relevance to prognosis in aneurysmal subarachnoid hemorrhage (aSAH). In this prospective, observational study, a total of 170 controls and 170 aSAH patients were enrolled. Plasma 8-iso-PGF2α concentrations were detected using an ELISA. Severity was assessed by World Federation of Neurological Surgeons (WFNS) scale and modified Fisher grading scale. Clinical outcomes included 6-month mortality and poor outcome referred to as Glasgow outcome scale score of 1-3. As compared to controls, admission plasma 8-iso-PGF2α concentrations were significantly enhanced. Increased concentrations of plasma 8-iso-PGF2α correlated with WFNS scores and modified Fisher scores. 8-iso-PGF2α in plasma was an independent predictor for clinical outcomes. Under ROC curve, the predictive values of 8-iso-PGF2α concentrations resembled those of WFNS scores and modified Fisher scores for clinical outcomes. An elevation in plasma 8-iso-PGF2α concentrations is associated with the severity and poor outcome after aSAH, substantializing 8-iso-PGF2α as a potential prognostic biomarker of aSAH. Copyright © 2017. Published by Elsevier B.V.

Selenium ameliorates isotretinoin-induced liver injury and dyslipidemia via antioxidant effect in rats.

PubMed

Saied, Nashwa Mostafa; Hamza, Alaaeldin Ahmed

2014-09-01

Isotretinoin (Iso) is a widely used retinoid for the treatment of dermatologic conditions. Although it has broad side effects, there is no well-designed study about preventive effects against its hepatic toxicity. This study was undertaken to evaluate the protective effect of selenium (Se) against Iso-induced hepatotoxicity in Wistar rats. Animals were divided into four groups. The first group served as control. The second, third and fourth groups received Se, Iso and Se & Iso, respectively, for 28 days. Se was administered daily orally at a dose of 50 µg / 100 g body weight. Iso was given daily orally at a dose of 0.75 mg/ 100 g /day in olive oil. Iso caused significant increases in serum levels of alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, cholesterol, triglycerides, and high-density lipids content. Animals also showed significant rise in thiobarbituric acid reacting substance and nitric oxide content with concomitant decrease in reduced glutathione content and the antioxidant enzyme activities of superoxide dismutase and catalase in liver tissue after Iso exposure. Se administration produced a significant protection against the hepatotoxic effects of Iso and markedly alleviated alterations in these parameters. The results obtained herein clearly indicate that Iso causes induction of oxidative stress and the co-administration of Iso and Se provides protection against Iso-induced liver injury.

Materials and Manufacturing Research and Development Capability Assessment of the Southwest Ohio Region

DTIC Science & Technology

2011-09-01

ISO / IEC 17025 :2005, NADCAP Acuren...River Road Brackenridge, PA 250 (724) 224-1000 $4.8B 11,000 ISO -9001, AS- 9100, NADCAP, ISO / IEC 17025 ATI – Allegheny Ludlum (Houston, PA) 501...Western Ave Houston, PA 233 (724) 745-2000 $4.8B 11,000 ISO -9001, AS- 9100, NADCAP, ISO / IEC 17025 ATI – Allegheny Ludlum (Louisville, OH)

Corporate environmental policy statements in mainland China: to what extent do they conform to ISO 14000 documentation?

PubMed

Chung, Shan Shan; Fryxell, Gerald E; Lo, Carlos W H

2005-04-01

For decades, industry has been the main source of pollution in China. Determined to make changes, the mainland Chinese authorities have decided to promote mechanisms that incorporate environmental concerns into the internal management of enterprises. This is manifested in the rapid adoption of the ISO14000 standards, including a significant increase in ISO14001 registrations in China. Thus, this study examined the environmental policy statements of 106 certified facilities in mainland China against a strict interpretation of the mandatory requirements of the ISO 14001:1996 standard and the nonmandatory ISO14004 requirements in order to shed some light on the implementation of environmental management systems in an emerging economic giant. It was decided to analyze the environmental policy statement because such a statement is a core element in the ISO system of environmental management of each facility and there are relatively clear and specific requirements on what an environmental policy statement shall include. An analysis of the contents of the environmental policy statements shows that conformance to the relevant requirements of both the mandatory ISO14001 standard and the nonmandatory ISO14004 standard is far from impressive and that the facilities in our sample seldom went beyond the minimum requirements. By using ISO14001 and ISO14004 conformance scores as the dependent variables, we found that conformity to ISO14001 and overall conformance to ISO14000 series can be explained to some extent by the degree of top management commitment, the experience with informal environmental management systems, and the form of ownership of the facilities.

40 CFR 86.413-78 - Labeling.

Code of Federal Regulations, 2012 CFR

2012-07-01

... lubricant requirements (e.g., lead content, Research octane number, engine lubricant type); (vi) An... EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and Later New... Emission Control Information; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine...

40 CFR 86.413-78 - Labeling.

Code of Federal Regulations, 2014 CFR

2014-07-01

... lubricant requirements (e.g., lead content, Research octane number, engine lubricant type); (vi) An... EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and Later New... Emission Control Information; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine...

40 CFR 86.413-78 - Labeling.

Code of Federal Regulations, 2010 CFR

2010-07-01

... lubricant requirements (e.g., lead content, Research octane number, engine lubricant type); (vi) An... EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and Later New... Emission Control Information; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine...

40 CFR 86.413-78 - Labeling.

Code of Federal Regulations, 2013 CFR

2013-07-01

... lubricant requirements (e.g., lead content, Research octane number, engine lubricant type); (vi) An... EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and Later New... Emission Control Information; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine...

40 CFR 86.413-2006 - Labeling.

Code of Federal Regulations, 2014 CFR

2014-07-01

... lubricant requirements (e.g., lead content, research octane number, engine lubricant type); (vi...) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and... Information”; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine displacement (in cubic...

40 CFR 86.413-2006 - Labeling.

Code of Federal Regulations, 2013 CFR

2013-07-01

... lubricant requirements (e.g., lead content, research octane number, engine lubricant type); (vi...) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and... Information”; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine displacement (in cubic...

40 CFR 86.413-2006 - Labeling.

Code of Federal Regulations, 2012 CFR

2012-07-01

... lubricant requirements (e.g., lead content, research octane number, engine lubricant type); (vi...) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and... Information”; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine displacement (in cubic...

40 CFR 86.413-78 - Labeling.

Code of Federal Regulations, 2011 CFR

2011-07-01

... lubricant requirements (e.g., lead content, Research octane number, engine lubricant type); (vi) An... EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1978 and Later New... Emission Control Information; (ii) Full corporate name and trademark of the manufacturer; (iii) Engine...

LEAVES AS INDICATORS OF EXPOSURE TO AIRBORNE VOLATILE ORGANIC COMPOUNDS

EPA Science Inventory

The concentration of volatile organic compounds (VOCs) in leaves is primarily a product of airborne exposures and dependent upon bioconcentration factors and release rates. The bioconcentration factors for VOCs in grass are found to be related to their partitioning between octan...

A Model for Joint Software Reviews

DTIC Science & Technology

1998-10-01

CEPMAN 1, 1996; Gabb, 1997], and with the growing popularity of outsourcing, they are becoming more important in the commercial sector [ ISO /IEC 12207 ...technical and management reviews [MIL-STD-498, 1996; ISO /IEC 12207 , 1995]. Management reviews occur after technical reviews, and are focused on the cost...characteristics, Standard (No. ISO /IEC 9126-1). [ ISO /IEC 12207 , 1995] Information Technology Software Life Cycle Processes, Standard (No. ISO /IEC 12207

ISO 639-1 and ISO 639-2: International Standards for Language Codes. ISO 15924: International Standard for Names of Scripts.

ERIC Educational Resources Information Center

Byrum, John D.

This paper describes two international standards for the representation of the names of languages. The first (ISO 639-1), published in 1988, provides two-letter codes for 136 languages and was produced primarily to meet terminological needs. The second (ISO 639-2) appeared in late 1998 and includes three-letter codes for 460 languages. This list…

Common Criteria Evaluation and Validation Scheme for Information Technology Security: Guidance to Validators of IT Security Evaluations

DTIC Science & Technology

2002-02-01

NVLAP procedures are compatible with, among others, the most recent official publications of ISO / IEC 17025 (formally ISO / IEC Guide 25), ISO Guides 2, 30... IEC Guide 17025 and the relevant requirements of ISO 9002-1994. NVLAP Handbook 150-20 contains information that is specific to Common Criteria...Evaluation Technical Report EAP Evaluation Acceptance Package IEC International Electrotechnical Commission ISO International

The new ISO 6579-1: A real horizontal standard for detection of Salmonella, at last!

PubMed

Mooijman, Kirsten A

2018-05-01

Up to 2016, three international standard methods existed for the detection of Salmonella spp. in food, animal feed and samples from the primary production stage: ISO 6785:2001 for milk and milk products, ISO 6579:2002 for (other) food and animal feed and Annex D of ISO 6579:2007 for samples from the primary production stage. In 2009, an ISO/CEN working group started with the revision of ISO 6579:2002 with two main aims: combining the three aforementioned standards in one document and improving the information in ISO 6579:2002. Additionally it was decided to split ISO 6579 into three parts, where part 1 describes the detection, part 2 the enumeration by mini-MPN (published in 2012) and part 3 the serotyping of Salmonella (published in 2014). This paper describes the experiments and choices made for improving the part on detection of Salmonella (ISO 6579-1). The final voting stage on (draft) ISO 6579-1 was finished by the end of December 2016, with a positive outcome. Finally, a real horizontal standard became available for detection of Salmonella in food, animal feed, environmental samples in the area of food production and food handling and in samples from the primary production stage in 2017. Copyright © 2017 Elsevier Ltd. All rights reserved.

An assessment model for quality management

NASA Astrophysics Data System (ADS)

Völcker, Chr.; Cass, A.; Dorling, A.; Zilioli, P.; Secchi, P.

2002-07-01

SYNSPACE together with InterSPICE and Alenia Spazio is developing an assessment method to determine the capability of an organisation in the area of quality management. The method, sponsored by the European Space Agency (ESA), is called S9kS (SPiCE- 9000 for SPACE). S9kS is based on ISO 9001:2000 with additions from the quality standards issued by the European Committee for Space Standardization (ECSS) and ISO 15504 - Process Assessments. The result is a reference model that supports the expansion of the generic process assessment framework provided by ISO 15504 to nonsoftware areas. In order to be compliant with ISO 15504, requirements from ISO 9001 and ECSS-Q-20 and Q-20-09 have been turned into process definitions in terms of Purpose and Outcomes, supported by a list of detailed indicators such as Practices, Work Products and Work Product Characteristics. In coordination with this project, the capability dimension of ISO 15504 has been revised to be consistent with ISO 9001. As contributions from ISO 9001 and the space quality assurance standards are separable, the stripped down version S9k offers organisations in all industries an assessment model based solely on ISO 9001, and is therefore interesting to all organisations, which intend to improve their quality management system based on ISO 9001.

LOW OZONE-DEPLETING HALOCARBONS AS TOTAL-FLOOD AGENTS: VOLUME 2. LABORATORY-SCALE FIRE SUPPRESSION AND EXPLOSION PREVENTION TESTING

EPA Science Inventory

The report gives results from (1) flame suppression testing of potential Halon-1301 (CF3Br) replacement chemicals in a laboratory cup burner using n-heptane fuel and (2) explosion prevention (inertion) testing in a small-scale explosion sphere using propane and methane as fuels. ...

40 CFR 180.319 - Interim tolerances.

Code of Federal Regulations, 2012 CFR

2012-07-01

...-oxabicyclo-(2,2,1) heptane 2,3-dicarboxylic acid Herbicide 0.2 Beet, sugar None. Isopropyl carbanilate (IPC) Herbicide 5.0 Alfalfa, hay; clover, hay; and grass, hay None. 2.0 Alfalfa, forage; clover, forage; and grass...; poultry, meat; and poultry, meat byproducts None. Methyl parathion Herbicide 0.5 Rye 12/31/13. (b) Section...

33 CFR 183.590 - Fire test.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false Fire test. 183.590 Section 183... SAFETY BOATS AND ASSOCIATED EQUIPMENT Fuel Systems Tests § 183.590 Fire test. (a) A piece of equipment is... hull section. (b) Each fire test is conducted with free burning heptane and the component must be...

Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

ERIC Educational Resources Information Center

Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

2006-01-01

A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

Estimation of interfacial area in a packed cross-flow cascade with distillation of ethanol-water, methanol-water, and hexane-heptane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velaga, A.

1986-01-01

Packed cross-flow internals consisting of four and ten stages including the samplers for liquid and vapor were fabricated to fit into the existing distillation column. Experiments were conducted using methanol-water, ethanol-water and hexane-heptane binary mixtures. The experimental data were collected for compositions of inlet and exist streams of cross-flow stages. The overall gas phase height transfer units (H/sub og/) were estimated using the experimental data. H/sub og/ values were compared to those of counter current conditions. The individual mass transfer coefficients in the liquid and vapor phases were estimated using the collected experimental data for degree of separation, flow ratesmore » and physical properties of the binary system used. The physical properties were estimated at an average temperature of the specific cross-flow stage. The mass transfer coefficients were evaluated using three different correlations proposed by Shulman. Onda and Hayashi respectively. The interfacial areas were estimated using the evaluated mass transfer coefficients and the experimental data at each stage of the column for different runs and compared.« less

Impacts created on various materials by micro-discharges in heptane: Influence of the dissipated charge

NASA Astrophysics Data System (ADS)

Hamdan, A.; Noel, C.; Kosior, F.; Henrion, G.; Belmonte, T.

2013-01-01

Modes of energy dissipation in impacts made on various materials (Al, Cu, Fe, and Si) by discharges in heptane are investigated for micro-gap conditions. Bulk metals and thin films of 300 nm in thickness deposited on silicon wafers are used as samples. Positive high voltage pulses with nanosecond rise times make it possible to isolate a single discharge and to study the way the charge delivered by the power supply is transferred to the larger electrode (the sample) in a pin-to-plate configuration. The diameter of the impacts created by the plasma varies linearly versus the charge raised at a power close to 0.5. However, the exact value of the power depends on the material. We also show how the impact morphologies change with the applied charge. At high charges, the diameters of impacts on thin films behave as those made on silicon. At low charges, they behave as the bulk material. Finally, we show that the energy dissipated in impacts is below a few percent.

Experimental and numerical investigations on spray characteristics of fatty acid methyl esters

NASA Astrophysics Data System (ADS)

Lanjekar, R. D.; Deshmukh, D.

2018-02-01

A comparative experimental and numerical study is conducted to establish the significance of the use of single-component over multi-component representatives of biodiesel, diesel and their blend for predicting spray tip penetration. Methyl oleate and methyl laurate are used as single-component representative fuels for biodiesel. The pure components n-heptane, n-dodecane and n-tetradecane are used as single-component representative fuels for diesel. Methyl laurate is found to represent biodiesel of coconut, whereas methyl oleate is found to represent biodiesel having high percentage of long-chain fatty acid esters. The spray tip penetration of methyl oleate is found to be in good agreement with the measured spray tip penetration of karanja biodiesel. The spray tip penetration prediction of n-heptane fuel is closely following diesel spray tip penetration along with that of n-tetradecane and n-dodecane. The study suggests that the knowledge of the single-component representatives of biodiesel, diesel and their blend is sufficient to predict the spray tip penetration of the corresponding biodiesel, diesel and their blend under non-evaporating environment.

Antimicrobial activity of synthetic bornyl benzoates against Trypanosoma cruzi

PubMed Central

Corrêa, P R C; Miranda, R R S; Duarte, L P; Silva, G D F; Filho, S A Vieira; Okuma, A A; Carazza, F; Morgado-Díaz, J A; Pinge-Filho, P; Yamauchi, L M; Nakamura, C V; Yamada-Ogatta, S F

2012-01-01

We report here for the first time the in vitro effects of (1S,2R,4S)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-yl-3′,4′,5′-trimethoxy benzoate (1) and (1S,2R,4S)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-yl benzoate (2) on the growth and ultrastructure of Trypanosoma cruzi. These two synthetic compounds exerted an antiproliferative effect on the epimastigote forms of the parasite. The ICs50/72h of two synthetic L-bornyl benzoates, 1 and 2, was 10.1 and 12.8 μg/ml, respectively. Both compounds were more selective against epimastigotes than HEp-2 cells. Ultrastructural analysis revealed intense cytoplasmic vacuolization and the appearance of cytoplasmic materials surrounded by membranes. The treatment of peritoneal macrophages with compounds 1 and 2 caused a significant decrease in the number of T. cruzi-infected cells. L-Bornyl benzoate derivatives may serve as a potential source for the development of more effective and safer chemotherapeutic agents against T. cruzi infections. PMID:22943546

Carbon-based nanomaterial synthesis using nanosecond electrical discharges in immiscible layered liquids: n-heptane and water

NASA Astrophysics Data System (ADS)

Hamdan, Ahmad; Cha, Min Suk

2018-06-01

Plasmas in- or in-contact with liquids have been extensively investigated due to their high potential for a wide range of applications including, but not limited to, water treatment, material synthesis and functionalization, bio-medical applications, and liquid fuel reformation. Recently, we successfully developed a discharge using two immiscible liquids, having very different electrical permittivities, which could significantly intensify the electric field intensity. Here, we establish nanosecond discharges at the interface n-heptane-water (with respective relative dielectric permittivities of 2 and 80) to enable the synthesis of carbon-based nanomaterials. A characterization of the as-synthesized material and the annealed (500 °C) material, using various techniques (Fourier-transform, infra-red, scanning and transmission electron microscopes, etc), shows that the as-synthesized material is a mixture of two carbon-based phases: a crystalline phase (graphite like) embedded into a phase of hydrogenated amorphous carbon. The existence of two-phases may be explained by the non-homogeneity of the discharge that induces various chemical reactions in the plasma channel.

Experimental and numerical investigations on spray characteristics of fatty acid methyl esters.

PubMed

Lanjekar, R D; Deshmukh, D

2018-02-01

A comparative experimental and numerical study is conducted to establish the significance of the use of single-component over multi-component representatives of biodiesel, diesel and their blend for predicting spray tip penetration. Methyl oleate and methyl laurate are used as single-component representative fuels for biodiesel. The pure components n -heptane, n -dodecane and n -tetradecane are used as single-component representative fuels for diesel. Methyl laurate is found to represent biodiesel of coconut, whereas methyl oleate is found to represent biodiesel having high percentage of long-chain fatty acid esters. The spray tip penetration of methyl oleate is found to be in good agreement with the measured spray tip penetration of karanja biodiesel. The spray tip penetration prediction of n -heptane fuel is closely following diesel spray tip penetration along with that of n -tetradecane and n -dodecane. The study suggests that the knowledge of the single-component representatives of biodiesel, diesel and their blend is sufficient to predict the spray tip penetration of the corresponding biodiesel, diesel and their blend under non-evaporating environment.

Experimental and numerical investigations on spray characteristics of fatty acid methyl esters

PubMed Central

Deshmukh, D.

2018-01-01

A comparative experimental and numerical study is conducted to establish the significance of the use of single-component over multi-component representatives of biodiesel, diesel and their blend for predicting spray tip penetration. Methyl oleate and methyl laurate are used as single-component representative fuels for biodiesel. The pure components n-heptane, n-dodecane and n-tetradecane are used as single-component representative fuels for diesel. Methyl laurate is found to represent biodiesel of coconut, whereas methyl oleate is found to represent biodiesel having high percentage of long-chain fatty acid esters. The spray tip penetration of methyl oleate is found to be in good agreement with the measured spray tip penetration of karanja biodiesel. The spray tip penetration prediction of n-heptane fuel is closely following diesel spray tip penetration along with that of n-tetradecane and n-dodecane. The study suggests that the knowledge of the single-component representatives of biodiesel, diesel and their blend is sufficient to predict the spray tip penetration of the corresponding biodiesel, diesel and their blend under non-evaporating environment. PMID:29515835

Authentication of fattening diet of Iberian pigs according to their volatile compounds profile from raw subcutaneous fat.

PubMed

Narváez-Rivas, M; Pablos, F; Jurado, J M; León-Camacho, M

2011-02-01

The composition of volatile components of subcutaneous fat from Iberian pig has been studied. Purge and trap gas chromatography-mass spectrometry has been used. The composition of the volatile fraction of subcutaneous fat has been used for authentication purposes of different types of Iberian pig fat. Three types of this product have been considered, montanera, extensive cebo and intensive cebo. With classification purposes, several pattern recognition techniques have been applied. In order to find out possible tendencies in the sample distribution as well as the discriminant power of the variables, principal component analysis was applied as visualisation technique. Linear discriminant analysis (LDA) and soft independent modelling by class analogy (SIMCA) were used to obtain suitable classification models. LDA and SIMCA allowed the differentiation of three fattening diets by using the contents in 2,2,4,6,6-pentamethyl-heptane, m-xylene, 2,4-dimethyl-heptane, 6-methyl-tridecane, 1-methoxy-2-propanol, isopropyl alcohol, o-xylene, 3-ethyl-2,2-dimethyl-oxirane, 2,6-dimethyl-undecane, 3-methyl-3-pentanol and limonene.

An Experimental Study on Burning Characteristics of n-Heptane/Ethanol Mixture Pool Fires in a Reduced Scaled Tunnel

NASA Astrophysics Data System (ADS)

Yozgatligil, Ahmet; Shafee, Sina

2016-11-01

Fire accidents in recent decades have drawn attention to safety issues associated with the design, construction and maintenance of tunnels. A reduced scale tunnel model constructed based on Froude scaling technique is used in the current work. Mixtures of n-heptane and ethanol are burned with ethanol volumetric fraction up to 30 percent and the longitudinal ventilation velocity varying from 0.5 to 2.5 m/s. The burning rates of the pool fires are measured using a precision load cell. The heat release rates of the fires are calculated according to oxygen calorimetry method and the temperature distributions inside the tunnel are also measured. Results of the experiments show that the ventilation velocity variation has a significant effect on the pool fire burning rate, smoke temperature and the critical ventilation velocity. With increased oxygen depletion in case of increased ethanol content of blended pool fires, the quasi-steady heat release rate values tend to increase as well as the ceiling temperatures while the combustion duration decreases.

Rate constant for OH with selected large alkanes : shock-tube measurements and an improved group scheme.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivaramakrishnan, R.; Michael, J. V.; Chemical Sciences and Engineering Division

High-temperature rate constant experiments on OH with the five large (C{sub 5}-C{sub 8}) saturated hydrocarbons n-heptane, 2,2,3,3-tetramethylbutane (2,2,3,3-TMB), n-pentane, n-hexane, and 2,3-dimethylbutane (2,3-DMB) were performed with the reflected-shock-tube technique using multipass absorption spectrometric detection of OH radicals at 308 nm. Single-point determinations at {approx}1200 K on n-heptane, 2,2,3,3-TMB, n-hexane, and 2,3-DMB were previously reported by Cohen and co-workers; however, the present work substantially extends the database to both lower and higher temperature. The present experiments span a wide temperature range, 789-1308 K, and represent the first direct measurements of rate constants at T > 800 K for n-pentane. The presentmore » work utilized 48 optical passes corresponding to a total path length of {approx}4.2 m. As a result of this increased path length, the high OH concentration detection sensitivity permitted pseudo-first-order analyses for unambiguously measuring rate constants.« less

Selective pressurized liquid extraction of polychlorinated biphenyls from fat-containing food and feed samples influence of cell dimensions, solvent type, temperature and flush volume.

PubMed

Sporring, Sune; Björklund, Erland

2004-06-25

Sulphuric acid impregnated silica was used for the lipid free extraction of polychlorinated biphenyls from fat containing food and feed matrices using pressurized liquid extraction on a Dionex ASE300, with 34 mL cells. Data were compared to a previous publication where extractions had been performed on a Dionex ASE200, with 33 mL cells. Four different fat/fat retainer ratios (FFRs) were tested (0.100, 0.075, 0.050 and 0.025) at 50 and 100 degrees C using n-pentane, n-hexane or n-heptane as extraction solvent. The best results were obtained with a FFR of 0.025 when applying a temperature of 100 degrees C. Both n-pentane and n-heptane were capable of replacing n-hexane as extraction solvent. A flush volume of 60% was sufficient as suggested in US Environmental Protection Agency Method 3545. The applicability of the method was demonstrated for naturally contaminated fish meal as well as various spiked and certified materials.

Prediction of warmed-over flavour development in cooked chicken by colorimetric sensor array.

PubMed

Kim, Su-Yeon; Li, Jinglei; Lim, Na-Ri; Kang, Bo-Sik; Park, Hyun-Jin

2016-11-15

The aim of this study was to develop a simple and rapid method based on colorimetric sensor array (CSA) for evaluation of warmed-over flavour (WOF) in cooked chicken. All samples were classified according to storage time by CSA coupled with principle component analysis (PCA) or hierarchical cluster analysis (HCA). The CSA data were used to establish prediction models with thiobarbituric acid reactive substances (TBARS), pentanal, hexanal, or heptanal associated with WOF by partial least square regression (PLSR). For the TBARS model, the coefficient of determination (rp(2)) was 0.9997 in the prediction range of 0.28-0.69mg/kg. In each of the models for pentanal, hexanal, and heptanal, all rp(2) were higher than 0.960 in the range of 0.58-2.10mg/kg, 5.50-11.69mg/kg, and 0.09-0.16mg/kg, respectively. These results demonstrate that the CSA was able to predict WOF development and to distinguish between each storage time. Copyright © 2016 Elsevier Ltd. All rights reserved.

DNS Study of the Ignition of n-Heptane Fuel Spray under HCCI Conditions

NASA Astrophysics Data System (ADS)

Wang, Yunliang; Rutland, Christopher J.

2004-11-01

Direct numerical simulations are carried out to investigate the mixing and auto-ignition processes of n-heptane fuel spray in a turbulent field using a skeletal chemistry mechanism with 44 species and 112 reactions. For the solution of the carrier gas fluid, we use the Eulerian method, while for the fuel spray, the Lagrangian method is used. We use an eighth-order finite difference scheme to calculate spacial derivatives and a fourth-order Runge-Kutta scheme for the time integration. The initial gas temperature is 926 K and the initial gas pressure is 30 atmospheres. The initial global equivalence ratio based on the fuel concentration is around 0.4. The initial droplet diameter is 60 macrons and the droplet temperature is 300 K. Evolutions of averaged temperature, species mass fraction, heat release and reaction rate are presented. Contours of temperature and species mass fractions are presented. The objective is to understand the mechanism of ignition under Homogeneous Charged Compression Ignition (HCCI) conditions, aiming at providing some useful information of HCCI combustion, which is one of the critical issues to be resolved.

Adsorption of non-ionic ABC triblock copolymers: Surface modification of TiO2 suspensions in aqueous and non-aqueous medium

NASA Astrophysics Data System (ADS)

Lerch, Jean-Philippe; Atanase, Leonard Ionut; Riess, Gérard

2017-10-01

A series of non-ionic ABC triblock copolymers, such as poly(butadiene)-b-poly(2-vinylpyrridine)-b-poly(ethylene oxide) (PB-P2VP-PEO) were synthesized by sequential anionic polymerizations. For these copolymers comprising an organo-soluble PB and a water-soluble PEO block, their P2VP middle block has been selected for its anchoring capacity on solid surfaces. The adsorption isotherms on TiO2 were obtained in heptane and in aqueous medium, as selective solvents. In both of these cases, the P2VP middle block provides the surface anchoring, whereas PB and PEO sequences are acting as stabilizing moieties in heptane and water respectively. By extension to ABC triblock copolymers of the scaling theory developed for diblock copolymers, the density of adsorbed chains could be correlated with the molecular characteristics of the PB-P2VP-PEO triblock copolymers. From a practical point a view, it could be demonstrated that these copolymers are efficient dispersing agents for the TiO2 pigments in both aqueous and non-aqueous medium.

Neuroprotective effects of α-iso-cubebenol on glutamate-induced neurotoxicity.

PubMed

Park, Sun Young; Choi, Yung Hyun; Park, Geuntae; Choi, Young-Whan

2015-09-01

α-Iso-cubebenol is a natural compound isolated from Schisandra chinensis, and is reported to have beneficial bioactivity including anti-inflammatory and anti-tumor activities. Glutamate-induced oxidative neuronal damage has been implicated in a variety of neurodegenerative disorders. Here we investigated the mechanisms of α-iso-cubebenol protection of mouse hippocampus-derived neuronal cells (HT22 cells) from apoptotic cell death induced by the major excitatory neurotransmitter, glutamate. Pretreatment with α-iso-cubebenol markedly attenuated glutamate-induced loss of cell viability and release of lactate dehydrogenase), in a dose-dependent manner. α-Iso-cubebenol significantly reduced glutamate-induced intracellular reactive oxygen species and calcium accumulation. Strikingly, α-iso-cubebenol inhibited glutamate-induced mitochondrial depolarization, which releases apoptosis-inducing factor from mitochondria. α-Iso-cubebenol also suppressed glutamate-induced phosphorylation of extracellular-signal-regulated kinases. Furthermore, α-iso-cubebenol induced CREB phosphorylation and Nrf-2 nuclear accumulation and increased the promoter activity of ARE and CREB in HT22 cells. α-Iso-cubebenol also upregulated the expression of phase-II detoxifying/antioxidant enzymes such as HO-1 and NQO1. Subsequent studies revealed that the inhibitory effects of α-iso-cubebenol on glutamate-induced apoptosis were abolished by small interfering RNA-mediated knockdown of CREB and Nrf-2. These findings suggest that α-iso-cubebenol prevents excitotoxin-induced oxidative damage to neurons by inhibiting apoptotic cell death, and might be a potential preventive or therapeutic agent for neurodegenerative disorders. Copyright © 2015 Elsevier B.V. All rights reserved.

Third phase formation in the extraction of phosphotungstic acid by TBP in n-octane.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antonio, M. R.; Chiarizia, R.; Jaffrennou, F.

2010-08-30

The solvent extraction of 12-phosphotungstic acid, also known as 12-tungstophosphoric acid-H{sub 3}PW{sub 12}O{sub 40}, the so-called Keggin heteropolyacid - by 0.73 M (20%v/v) tri-n-butyl phosphate (TBP) in n-octane under conditions comparable to those used previously for the extraction of conventional inorganic mineral acids is described. A simplified phase diagram for the pentanary system comprised of H{sub 3}PW{sub 12}O{sub 40}, HNO{sub 3}, H{sub 2}O, TBP, and n-octane reveals an extremely low initial concentration of H{sub 3}PW{sub 12}O{sub 40} (1.1 mM) at the LOC (limiting organic concentration) condition, far lower than the most effective third-phase-forming inorganic acid, namely HClO{sub 4}. The resultsmore » from small-angle neutron scattering (SANS) indicate that the interparticle attraction energy - U(r) calculated through application of the Baxter sticky sphere model to the SANS data at the LOC condition - does not approach the -2 k{sub B} T value associated with phase splitting in previous studies of TBP third-phase formation. The third-phase formation model based on attractive interactions between polar cores of reverse micelles, successfully developed for TBP and other extraction systems does not apply to the extraction of H{sub 3}PW{sub 12}O{sub 40}. Rather, the separation of a third-phase from the TBP organic phase stems from the limited solubility of the heavy and highly polar H{sub 3}PW{sub 12}O{sub 40}-TBP species in the alkane diluent.« less

Laboratory and numerical investigations of kinetic interface sensitive tracers transport for immiscible two-phase flow porous media systems

NASA Astrophysics Data System (ADS)

Tatomir, Alexandru Bogdan A. C.; Sauter, Martin

2017-04-01

A number of theoretical approaches estimating the interfacial area between two fluid phases are available (Schaffer et al.,2013). Kinetic interface sensitive (KIS) tracers are used to describe the evolution of fluid-fluid interfaces advancing in two phase porous media systems (Tatomir et al., 2015). Initially developed to offer answers about the supercritical (sc)CO2 plume movement and the efficiency of trapping in geological carbon storage reservoirs, KIS tracers are tested in dynamic controlled laboratory conditions. N-octane and water, analogue to a scCO2 - brine system, are used. The KIS tracer is dissolved in n-octane, which is injected as the non-wetting phase in a fully water saturated porous media column. The porous system is made up of spherical glass beads with sizes of 100-250 μm. Subsequently, the KIS tracer follows a hydrolysis reaction over the n-octane - water interface resulting in an acid and phenol which are both water soluble. The fluid-fluid interfacial area is described numerically with the help of constitutive-relationships derived from the Brooks-Corey model. The specific interfacial area is determined numerically from pore scale calculations, or from different literature sources making use of pore network model calculations (Joekar-Niasar et al., 2008). This research describes the design of the laboratory setup and compares the break-through curves obtained with the forward model and in the laboratory experiment. Furthermore, first results are shown in the attempt to validate the immiscible two phase flow reactive transport numerical model with dynamic laboratory column experiments. Keywords: Fluid-fluid interfacial area, KIS tracers, model validation, CCS, geological storage of CO2

An experimental and modeling study of the autoignition of 3-methylheptane

DOE PAGES

Wang, Weijing; Li, Zhenhua; Oehlschlaeger, Matthew A.; ...

2013-01-01

An experimental and kinetic modeling study of the autoignition of 3-methylheptane, a compound representative of the high molecular weight lightly branched alkanes found in large quantities in conventional and synthetic aviation kerosene and diesel fuels, is reported. Shock tube and rapid compression machine ignition delay time measurements are reported over a wide range of conditions of relevance to combustion engine applications: temperatures from 678 to 1356 K; pressures of 6.5, 10, 20, and 50 atm; and equivalence ratios of 0.5, 1.0, and 2.0. The wide range of temperatures examined provides observation of autoignition in three reactivity regimes, including the negativemore » temperature coefficient (NTC) regime characteristic of paraffinic fuels. Comparisons made between the current ignition delay measurements for 3-methylheptane and previous results for n-octane and 2-methylheptane quantifies the influence of a single methyl substitution and its location on the reactivity of alkanes. It is found that the three C8 alkane isomers have indistinguishable high-temperature ignition delay but their ignition delay times deviate in the NTC and low-temperature regimes in correlation with their research octane numbers. The experimental results are compared with the predictions of a proposed kinetic model that includes both high- and low-temperature oxidation chemistry. The model mechanistically explains the differences in reactivity for n-octane, 2-methylheptane, and 3-methylheptane in the NTC through the influence of the methyl substitution on the rates of isomerization reactions in the low-temperature chain branching pathway, that ultimately leads to ketohydroperoxide species, and the competition between low-temperature chain branching and the formation of cyclic ethers, in a chain propagating pathway.« less

Combined Sustainability Assessment and Techno-Economic Analysis for the Production of Biomass-Derived High-Octane Gasoline Blendstock

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit

Conversion technologies for biomass to liquid hydrocarbon fuels are being actively developed. Converting biomass into advanced hydrocarbon fuels requires detailed assessments to help prioritize research; techno-economic analysis (TEA) is a long established tool used to assess feasibility and progress. TEA provides information needed to make informed judgments about the viability of any given conceptual conversion process; it is particularly useful to identify technical barriers and measure progress toward overcoming those barriers. Expansion of the cellulosic biofuels industry at the scale needed to meet the Renewable Fuel Standard goals is also expected to have environmental impacts. Hence, the success of themore » biofuels industry depends not only on economic viability, but also on environmental sustainability. A biorefinery process that is economically feasible but suffers from key sustainability drawbacks is not likely to represent a long-term solution to replace fossil-derived fuels. Overarching concerns like environmental sustainability need to be addressed for biofuels production. Combined TEA and environmental sustainability assessment of emerging pathways helps facilitate biorefinery designs that are both economically feasible and minimally impactful to the environment. This study focuses on environmental sustainability assessment and techno-economic analysis for the production of high-octane gasoline blendstock via gasification and methanol/dimethyl ether intermediates. Results from the conceptual process design with economic analysis, along with the quantification and assessment of the environmental sustainability, are presented and discussed. Sustainability metrics associated with the production of high-octane gasoline include carbon conversion efficiency, consumptive water use, life-cycle greenhouse gas emissions, fossil energy consumption, energy return on investment and net energy value.« less

Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines

DOE PAGES

McCormick, Robert L.; Fioroni, Gina; Fouts, Lisa; ...

2017-03-28

Here, we describe a study to identify potential biofuels that enable advanced spark ignition (SI) engine efficiency strategies to be pursued more aggressively. A list of potential biomass-derived blendstocks was developed. An online database of properties and characteristics of these bioblendstocks was created and populated. Fuel properties were determined by measurement, model prediction, or literature review. Screening criteria were developed to determine if a bioblendstock met the requirements for advanced SI engines. Criteria included melting point (or cloud point) < -10 degrees C and boiling point (or T90) <165 degrees C. Compounds insoluble or poorly soluble in hydrocarbon were eliminatedmore » from consideration, as were those known to cause corrosion (carboxylic acids or high acid number mixtures) and those with hazard classification as known or suspected carcinogens or reproductive toxins. Compounds predicted to be less anaerobically biodegradable than methyl-tert-butyl ether with water solubility greater than 10,000 mg/L were also eliminated. A minimum Research octane number (RON) of 98 was applied. These criteria produced a list of 40 bioblendstocks with promising properties. Additional property data, including Motor octane number (MON), heat of vaporization, and lower heating value, were acquired for these bioblendstocks. A subset of the bioblendstocks representing all functional groups were blended into gasoline or a gasoline surrogate to measure their effect on vapor pressure, distillation curve, oxidation stability, RON, and MON. For blending into a conventional or reformulated blendstock for E10 blending, ethanol, 2-butanol, isobutanol, and diisobutylene have the most desirable properties for blending of a high-octane advanced SI engine fuel.« less

Electroantennogram Responses to Plant Volatiles Associated with Fenvalerate Resistance in the Diamondback Moth, Plutella xylostella (Lepidoptera: Plutellidae).

PubMed

Houjun, Tian; Lin, Shuo; Chen, Yong; Chen, Yixin; Zhao, Jianwei; Gu, Xiaojun; Wei, Hui

2018-05-28

The diamondback moth (DBM), Plutella xylostella (L.) (Lepidoptera: Plutellidae), is the main destructive insect pest of brassica vegetables around the world, and has developed resistance to numerous insecticides. Although host plant volatiles are important in pest control, the mechanism of low-level insecticide resistance in P. xylostella due to plant volatiles has not been examined. Here, electroantennograms (EAGs) were used to compare the responses of adult male and female DBMs of a susceptible strain (S-strain) and a derived resistant strain, Fen-R-strain (6.52-fold more resistant than the S-strain), to different concentrations of nine plant volatiles. We found significantly different relative EAG responses between S-strain and Fen-R-strain males to different concentrations of methyl jasmonate, methyl salicylate, and octanal. The relative EAG responses of S-strain and Fen-R-strain females to different concentrations of β-myrcene, methyl jasmonate, methyl salicylate, and allyl isothiocyanate were significantly different. Fen-R-strain females showed lower EAG responses to most of the tested plant volatiles (at concentrations of 1:10) than males, except for allyl isothiocyanate. A larger difference in relative EAG response to α-farnesene and β-myrcene was found between S-strain and Fen-R-strain females than between males of the two strains. A larger difference in relative EAG response to octanal, nonanal, and octan-1-ol was found between S-strain and Fen-R-strain males than between females of the two strains. These results illustrate the relationship between the function of plant volatiles and resistance in an insect pest species, and provide a scientific basis for resistance evolutionary theory in pest management research.

Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCormick, Robert L.; Fioroni, Gina; Fouts, Lisa

Here, we describe a study to identify potential biofuels that enable advanced spark ignition (SI) engine efficiency strategies to be pursued more aggressively. A list of potential biomass-derived blendstocks was developed. An online database of properties and characteristics of these bioblendstocks was created and populated. Fuel properties were determined by measurement, model prediction, or literature review. Screening criteria were developed to determine if a bioblendstock met the requirements for advanced SI engines. Criteria included melting point (or cloud point) < -10 degrees C and boiling point (or T90) <165 degrees C. Compounds insoluble or poorly soluble in hydrocarbon were eliminatedmore » from consideration, as were those known to cause corrosion (carboxylic acids or high acid number mixtures) and those with hazard classification as known or suspected carcinogens or reproductive toxins. Compounds predicted to be less anaerobically biodegradable than methyl-tert-butyl ether with water solubility greater than 10,000 mg/L were also eliminated. A minimum Research octane number (RON) of 98 was applied. These criteria produced a list of 40 bioblendstocks with promising properties. Additional property data, including Motor octane number (MON), heat of vaporization, and lower heating value, were acquired for these bioblendstocks. A subset of the bioblendstocks representing all functional groups were blended into gasoline or a gasoline surrogate to measure their effect on vapor pressure, distillation curve, oxidation stability, RON, and MON. For blending into a conventional or reformulated blendstock for E10 blending, ethanol, 2-butanol, isobutanol, and diisobutylene have the most desirable properties for blending of a high-octane advanced SI engine fuel.« less

Involvement of activation of the Nrf2/ARE pathway in protection against 6-OHDA-induced SH-SY5Y cell death by α-iso-cubebenol.

PubMed

Park, Sun Young; Kim, Do Yeon; Kang, Jong-Koo; Park, Geuntae; Choi, Young-Whan

2014-09-01

Free radical-mediated neurodegeneration is one of the many causes of Parkinson's disease (PD). As part of our ongoing studies on the identification of biologically active Schisandra chinensis components, we have isolated and structurally elucidated α-iso-cubebenol. This study was carried out in an attempt to clarify the neuroprotective effect of α-iso-cubebenol on toxin-insulted dopaminergic neuronal death using 6-hydroxy-dopamine (6-OHDA)-induced dopaminergic SH-SY5Y cells. α-iso-cubebenol significantly attenuated the loss of mitochondrial function (MTT assay) and membrane integrity (lactate dehydrogenase assay) associated with 6-OHDA-induced neurotoxicity. Pretreatment of the cells with α-iso-cubebenol diminished the intracellular accumulation of reactive oxygen species (ROS) and calcium in response to 6-OHDA. Moreover, α-iso-cubebenol protected against 6-OHDA-induced neurotoxicity through inhibition of SH-SY5Y cell apoptosis. In addition, JC-1 staining, which is a well-established measure of mitochondrial damage, was decreased after treatment with α-iso-cubebenol. Notably, α-iso-cubebenol inhibited the release of mitochondrial flavoprotein apoptosis inducing factor (AIF) from the mitochondria to the cytosol and nucleus following 6-OHDA treatment. In addition, α-iso-cubebenol reduced the 6-OHDA-induced phosphorylation of ERK and induced the phosphorylation of PKA, PKB, and CREB in a dose-dependent manner. Moreover, α-iso-cubebenol stimulated the activation of Nrf2, a downstream target of CREB. Furthermore, α-iso-cubebenol stimulated the expression of multiple antioxidant response genes (NQO-1 and HO-1). Finally, CREB and Nrf2 siRNA transfection diminished α-iso-cubebenol-mediated neuroprotection. Copyright © 2014 Elsevier Inc. All rights reserved.

Reinterpreting the best biomarker of oxidative stress: The 8-iso-PGF(2α)/PGF(2α) ratio distinguishes chemical from enzymatic lipid peroxidation.

PubMed

van 't Erve, Thomas J; Lih, Fred B; Kadiiska, Maria B; Deterding, Leesa J; Eling, Thomas E; Mason, Ronald P

2015-06-01

The biomarker 8-iso-prostaglandin F2α (8-iso-PGF2α) is regarded as the gold standard for detection of excessive chemical lipid peroxidation in humans. However, biosynthesis of 8-iso-PGF2α via enzymatic lipid peroxidation by prostaglandin-endoperoxide synthases (PGHSs), which are significantly induced in inflammation, could lead to incorrect biomarker interpretation. To resolve the ambiguity with this biomarker, the ratio of 8-iso-PGF2α to prostaglandin F2α (PGF2α) is established as a quantitative measure to distinguish enzymatic from chemical lipid peroxidation in vitro, in animal models, and in humans. Using this method, we find that chemical lipid peroxidation contributes only 3% to the total 8-iso-PGF2α in the plasma of rats. In contrast, the 8-iso-PGF2α levels in plasma of human males are generated >99% by chemical lipid peroxidation. This establishes the potential for an alternate pathway of biomarker synthesis, and draws into question the source of increases in 8-iso-PGF2α seen in many human diseases. In conclusion, increases in 8-iso-PGF2α do not necessarily reflect increases in oxidative stress; therefore, past studies using 8-iso-PGF2α as a marker of oxidative stress may have been misinterpreted. The 8-iso-PGF2α/PGF2α ratio can be used to distinguish biomarker synthesis pathways and thus confirm the potential change in oxidative stress in the myriad of disease and chemical exposures known to induce 8-iso-PGF2α. Published by Elsevier Inc.

The stability of iso-α-acids and reduced iso-α-acids in stored blood specimens.

PubMed

Rodda, Luke N; Gerostamoulos, Dimitri; Drummer, Olaf H

2014-06-01

The long-term stability of the iso-α-acids, and three structurally similar but chemically altered iso-α-acids (known as 'reduced iso-α-acids' and consisting of the rho-, tetrahydro- and hexahydro-iso-α-acid groups) were investigated in whole blood. Pools of blank blood spiked with the four beer-specific ingredient congener groups at two different concentration levels were stored at 20°C, 4°C and -20°C; and extracted in duplicate in weeks 1, 3, 5 and 8, using a previously published method. A loss of 15% of the initial concentration was considered to indicate possible instability and losses greater than 30% demonstrated significant losses. The individual analytes within the four iso-α-acid groups were also measured to determine which iso-α-acids were subject to greater degradation and were responsible for the overall group instability. All four iso-α-acid groups showed significant losses after 8 weeks of storage under room temperature conditions in particularly the natural iso-α-acid group where major losses were observed (96% and 85% losses for low and high concentrations, respectively). Some degradation in all iso-α-acid groups were seen at 4°C samples predominantly due to the 'n' analogs of the groups showing an increased instability in blood. The -20°C storage conditions resulted in minimal changes in concentrations of all analytes. Higher than frozen storage temperatures can result in substantial changes on the stability of the iso-α-acid type groups in blood. The aim of this study was to highlight the stabilities of the IAA analytes in order to assist in the interpretation of IAA in stored blood specimens. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Strategic Technology Selection and Classification in Multimodel Environments

DTIC Science & Technology

2008-05-01

processes. Specifically, the organization chose a blend of CMMI (portions of which were being implemented in engineering), ISO 12207 and the SA CMM...whole- product support Improve product field performance Strategy to accomplish goal Reference models CMMI, SA CMM, IEEE/ ISO 12207 Leverage CMMI...ro u p Lean Six Sigma SOX ISO /IEC 15288 ISO 9000 CMMI ISO 12207 P-CMM AS9100 IEEE 830 PSMIDEAL PPSLockheed Martin Integrated Enterprise Process Agile

Making the Business Case for Software Assurance

DTIC Science & Technology

2009-04-01

and Capability dEtermination-SPICE, ISO /IEC 15504, 1998. [ ISO 2007] International Organization for Standardization. " ISO /IEC 27001 & 27002 ...Implementing the Process Areas 6.2.7 Differences Between the CMMI and Software CMM Process Areas 6.3 The CMMI Appraisal Process 6.4 Adapting ISO 15504 to...Secure Software Assurance 6.4.1 Assessment and the Secure Life Cycle 6.4.2 ISO 15504 Capability Levels 6.5 Adapting the ISOIIEC 21287 Standard Approach to