Insights on beer volatile profile: Optimization of solid-phase microextraction procedure taking advantage of the comprehensive two-dimensional gas chromatography structured separation.

PubMed

Martins, Cátia; Brandão, Tiago; Almeida, Adelaide; Rocha, Sílvia M

2015-06-01

The aroma profile of beer is crucial for its quality and consumer acceptance, which is modu-lated by a network of variables. The main goal of this study was to optimize solid-phase microextraction experimental parameters (fiber coating, extraction temperature, and time), taking advantage of the comprehensive two-dimensional gas chromatography structured separation. As far as we know, it is the first time that this approach was used to the untargeted and comprehensive study of the beer volatile profile. Decarbonation is a critical sample preparation step, and two conditions were tested: static and under ultrasonic treatment, and the static condition was selected. Considering the conditions that promoted the highest extraction efficiency, the following parameters were selected: poly(dimethylsiloxane)/divinylbenzene fiber coating, at 40ºC, using 10 min of pre-equilibrium followed by 30 min of extraction. Around 700-800 compounds per sample were detected, corresponding to the beer volatile profile. An exploratory application was performed with commercial beers, using a set of 32 compounds with reported impact on beer aroma, in which different patterns can be observed through the structured chromatogram. In summary, the obtained results emphasize the potential of this methodology to allow an in-depth study of volatile molecular composition of beer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the source of stochastic volatility: Evidence from CAC40 index options during the subprime crisis

NASA Astrophysics Data System (ADS)

Slim, Skander

2016-12-01

This paper investigates the performance of time-changed Lévy processes with distinct sources of return volatility variation for modeling cross-sectional option prices on the CAC40 index during the subprime crisis. Specifically, we propose a multi-factor stochastic volatility model: one factor captures the diffusion component dynamics and two factors capture positive and negative jump variations. In-sample and out-of-sample tests show that our full-fledged model significantly outperforms nested lower-dimensional specifications. We find that all three sources of return volatility variation, with different persistence, are needed to properly account for market pricing dynamics across moneyness, maturity and volatility level. Besides, the model estimation reveals negative risk premium for both diffusive volatility and downward jump intensity whereas a positive risk premium is found to be attributed to upward jump intensity.

Main differences between volatiles of sparkling and base wines accessed through comprehensive two dimensional gas chromatography with time-of-flight mass spectrometric detection and chemometric tools.

PubMed

Welke, Juliane Elisa; Zanus, Mauro; Lazzarotto, Marcelo; Pulgati, Fernando Hepp; Zini, Cláudia Alcaraz

2014-12-01

The main changes in the volatile profile of base wines and their corresponding sparkling wines produced by traditional method were evaluated and investigated for the first time using headspace solid-phase microextraction combined with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry detection (GC×GC/TOFMS) and chemometric tools. Fisher ratios helped to find the 119 analytes that were responsible for the main differences between base and sparkling wines and principal component analysis explained 93.1% of the total variance related to the selected 78 compounds. It was also possible to observe five subclusters in base wines and four subclusters in sparkling wines samples through hierarchical cluster analysis, which seemed to have an organised distribution according to the regions where the wines came from. Twenty of the most important volatile compounds co-eluted with other components and separation of some of them was possible due to GC×GC/TOFMS performance. Copyright © 2014. Published by Elsevier Ltd.

[Study on chemical diversity of volatile oils in Houttuynia cordata and their genetic basis].

PubMed

Wu, Lingshang; Si, Jinping; Zhou, Hui; Zhu, Yan; Lan, Yunlong

2009-01-01

To reveal chemical diversify of volatile oils in Houttuynia cordata from major producing areas in China and their genetic basis, lay a foundation for breeding a quality H. cordata variety. The volatile oils in H. cordata from 22 provenances were determined by GC. And the relationship among the peak areas of volatile oils, biological characteristics and RAPD makers were analyzed. There were common and special volatile oils in H. cordata from different provenances. The peak areas of common volatile oils in samples were significantly different. The clustering figure based on the peak areas or the relative peak areas of common volatile oils was almost agreed with the one based on RAPD makers analysis. And the differences in chromatograms could be distinguished according to the biological characteristics. The diversity of volatile oils exists in H. cordata from different provenances which relate with biological characteristics and has genetic basis. H. cordata can be divided into 2 types according to volatile oils, biological characteristics or RAPD marker.

Two-dimensional description of surface-bounded exospheres with application to the migration of water molecules on the Moon

NASA Astrophysics Data System (ADS)

Schorghofer, Norbert

2015-05-01

On the Moon, water molecules and other volatiles are thought to migrate along ballistic trajectories. Here, this migration process is described in terms of a two-dimensional partial differential equation for the surface concentration, based on the probability distribution of thermal ballistic hops. A random-walk model, a corresponding diffusion coefficient, and a continuum description are provided. In other words, a surface-bounded exosphere is described purely in terms of quantities on the surface, which can provide computational and conceptual advantages. The derived continuum equation can be used to calculate the steady-state distribution of the surface concentration of volatile water molecules. An analytic steady-state solution is obtained for an equatorial ring; it reveals the width and mass of the pileup of molecules at the morning terminator.

Time-resolved seismic tomography detects magma intrusions at Mount Etna.

PubMed

Patanè, D; Barberi, G; Cocina, O; De Gori, P; Chiarabba, C

2006-08-11

The continuous volcanic and seismic activity at Mount Etna makes this volcano an important laboratory for seismological and geophysical studies. We used repeated three-dimensional tomography to detect variations in elastic parameters during different volcanic cycles, before and during the October 2002-January 2003 flank eruption. Well-defined anomalous low P- to S-wave velocity ratio volumes were revealed. Absent during the pre-eruptive period, the anomalies trace the intrusion of volatile-rich (>/=4 weight percent) basaltic magma, most of which rose up only a few months before the onset of eruption. The observed time changes of velocity anomalies suggest that four-dimensional tomography provides a basis for more efficient volcano monitoring and short- and midterm eruption forecasting of explosive activity.

Impact of comprehensive two-dimensional gas chromatography with mass spectrometry on food analysis.

PubMed

Tranchida, Peter Q; Purcaro, Giorgia; Maimone, Mariarosa; Mondello, Luigi

2016-01-01

Comprehensive two-dimensional gas chromatography with mass spectrometry has been on the separation-science scene for about 15 years. This three-dimensional method has made a great positive impact on various fields of research, and among these that related to food analysis is certainly at the forefront. The present critical review is based on the use of comprehensive two-dimensional gas chromatography with mass spectrometry in the untargeted (general qualitative profiling and fingerprinting) and targeted analysis of food volatiles; attention is focused not only on its potential in such applications, but also on how recent advances in comprehensive two-dimensional gas chromatography with mass spectrometry will potentially be important for food analysis. Additionally, emphasis is devoted to the many instances in which straightforward gas chromatography with mass spectrometry is a sufficiently-powerful analytical tool. Finally, possible future scenarios in the comprehensive two-dimensional gas chromatography with mass spectrometry food analysis field are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comprehensive Chemical Fingerprinting of High-Quality Cocoa at Early Stages of Processing: Effectiveness of Combined Untargeted and Targeted Approaches for Classification and Discrimination.

PubMed

Magagna, Federico; Guglielmetti, Alessandro; Liberto, Erica; Reichenbach, Stephen E; Allegrucci, Elena; Gobino, Guido; Bicchi, Carlo; Cordero, Chiara

2017-08-02

This study investigates chemical information of volatile fractions of high-quality cocoa (Theobroma cacao L. Malvaceae) from different origins (Mexico, Ecuador, Venezuela, Columbia, Java, Trinidad, and Sao Tomè) produced for fine chocolate. This study explores the evolution of the entire pattern of volatiles in relation to cocoa processing (raw, roasted, steamed, and ground beans). Advanced chemical fingerprinting (e.g., combined untargeted and targeted fingerprinting) with comprehensive two-dimensional gas chromatography coupled with mass spectrometry allows advanced pattern recognition for classification, discrimination, and sensory-quality characterization. The entire data set is analyzed for 595 reliable two-dimensional peak regions, including 130 known analytes and 13 potent odorants. Multivariate analysis with unsupervised exploration (principal component analysis) and simple supervised discrimination methods (Fisher ratios and linear regression trees) reveal informative patterns of similarities and differences and identify characteristic compounds related to sample origin and manufacturing step.

Monitoring the evolution of volatile compounds using gas chromatography during the stages of production of Moscatel sparkling wine.

PubMed

Soares, Rafael Dutra; Welke, Juliane Elisa; Nicolli, Karine Primieri; Zanus, Mauro; Caramão, Elina Bastos; Manfroi, Vitor; Zini, Cláudia Alcaraz

2015-09-15

This study reports, for the first time, the main changes that occur with some important aroma compounds of Moscatel sparkling wines during winemaking, measured using headspace solid-phase microextraction, one-dimensional and comprehensive two-dimensional gas chromatography (GC×GC) with mass spectrometry detection (MS). The best conditions of volatile extraction included the use of PDMS/DVB fibre, 2mL of wine, 30% of NaCl, 40°C for 30min. The chromatographic profile of sparkling wines showed decreasing amounts of monoterpenes (limonene, 4-terpineol, terpinolene, citronellol, α-terpineol, linalool, hotrienol, and nerol oxide), increasing amounts of esters (terpenyl esters, ethyl octanoate, ethyl decanoate and hexyl acetate) and alcohols (1-nonanol and 2-phenylethanol). Sixty-nine compounds co-eluted in the first dimension; only six co-eluted in the second dimension. GC×GC/TOFMS allows more detailed study of the volatile profile of sparkling wines. Copyright © 2015 Elsevier Ltd. All rights reserved.

Enhanced Characterization of the Smell of Death by Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GCxGC-TOFMS)

PubMed Central

Dekeirsschieter, Jessica; Stefanuto, Pierre-Hugues; Brasseur, Catherine; Haubruge, Eric; Focant, Jean-François

2012-01-01

Soon after death, the decay process of mammalian soft tissues begins and leads to the release of cadaveric volatile compounds in the surrounding environment. The study of postmortem decomposition products is an emerging field of study in forensic science. However, a better knowledge of the smell of death and its volatile constituents may have many applications in forensic sciences. Domestic pigs are the most widely used human body analogues in forensic experiments, mainly due to ethical restrictions. Indeed, decomposition trials on human corpses are restricted in many countries worldwide. This article reports on the use of comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GCxGC-TOFMS) for thanatochemistry applications. A total of 832 VOCs released by a decaying pig carcass in terrestrial ecosystem, i.e. a forest biotope, were identified by GCxGC-TOFMS. These postmortem compounds belong to many kinds of chemical class, mainly oxygen compounds (alcohols, acids, ketones, aldehydes, esters), sulfur and nitrogen compounds, aromatic compounds such as phenolic molecules and hydrocarbons. The use of GCxGC-TOFMS in study of postmortem volatile compounds instead of conventional GC-MS was successful. PMID:22723918

Confined One Dimensional Harmonic Oscillator as a Two-Mode System

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

Gueorguiev, V G; Rau, A P; Draayer, J P

2005-07-11

The one-dimensional harmonic oscillator in a box problem is possibly the simplest example of a two-mode system. This system has two exactly solvable limits, the harmonic oscillator and a particle in a (one-dimensional) box. Each of the two limits has a characteristic spectral structure describing the two different excitation modes of the system. Near each of these limits, one can use perturbation theory to achieve an accurate description of the eigenstates. Away from the exact limits, however, one has to carry out a matrix diagonalization because the basis-state mixing that occurs is typically too large to be reproduced in anymore » other way. An alternative to casting the problem in terms of one or the other basis set consists of using an ''oblique'' basis that uses both sets. Through a study of this alternative in this one-dimensional problem, we are able to illustrate practical solutions and infer the applicability of the concept for more complex systems, such as in the study of complex nuclei where oblique-basis calculations have been successful.« less

Improving Secondary Organic Aerosol (SOA) Models using Global Sensitivity Analysis and by Comparison to Chamber Data.

NASA Astrophysics Data System (ADS)

Miller, D. O.; Brune, W. H.

2017-12-01

Accurate estimates of secondary organic aerosol (SOA) from atmospheric models is a major research challenge due to the complexity of the chemical and physical processes involved in the SOA formation and continuous aging. The primary uncertainties of SOA models include those associated with the formation of gas-phase products, the conversion between gas phase and particle phase, the aging mechanisms of SOA, and other processes related to the heterogeneous and particle-phase reactions. To address this challenge, we us a modular modeling framework that combines both simple and near-explicit gas-phase reactions and a two-dimensional volatility basis set (2D-VBS) to simulate the formation and evolution of SOA. Global sensitivity analysis is used to assess the relative importance of the model input parameters. In addition, the model is compared to the measurements from the Focused Isoprene eXperiment at the California Institute of Technology (FIXCIT).

Comparison of two headspace sampling techniques for the analysis of off-flavour volatiles from oat based products.

PubMed

Cognat, Claudine; Shepherd, Tom; Verrall, Susan R; Stewart, Derek

2012-10-01

Two different headspace sampling techniques were compared for analysis of aroma volatiles from freshly produced and aged plain oatcakes. Solid phase microextraction (SPME) using a Carboxen-Polydimethylsiloxane (PDMS) fibre and entrainment on Tenax TA within an adsorbent tube were used for collection of volatiles. The effects of variation in the sampling method were also considered using SPME. The data obtained using both techniques were processed by multivariate statistical analysis (PCA). Both techniques showed similar capacities to discriminate between the samples at different ages. Discrimination between fresh and rancid samples could be made on the basis of changes in the relative abundances of 14-15 of the constituents in the volatile profiles. A significant effect on the detection level of volatile compounds was observed when samples were crushed and analysed by SPME-GC-MS, in comparison to undisturbed product. The applicability and cost effectiveness of both methods were considered. Copyright © 2012 Elsevier Ltd. All rights reserved.

Scaling properties of foreign exchange volatility

NASA Astrophysics Data System (ADS)

Gençay, Ramazan; Selçuk, Faruk; Whitcher, Brandon

2001-01-01

In this paper, we investigate the scaling properties of foreign exchange volatility. Our methodology is based on a wavelet multi-scaling approach which decomposes the variance of a time series and the covariance between two time series on a scale by scale basis through the application of a discrete wavelet transformation. It is shown that foreign exchange rate volatilities follow different scaling laws at different horizons. Particularly, there is a smaller degree of persistence in intra-day volatility as compared to volatility at one day and higher scales. Therefore, a common practice in the risk management industry to convert risk measures calculated at shorter horizons into longer horizons through a global scaling parameter may not be appropriate. This paper also demonstrates that correlation between the foreign exchange volatilities is the lowest at the intra-day scales but exhibits a gradual increase up to a daily scale. The correlation coefficient stabilizes at scales one day and higher. Therefore, the benefit of currency diversification is the greatest at the intra-day scales and diminishes gradually at higher scales (lower frequencies). The wavelet cross-correlation analysis also indicates that the association between two volatilities is stronger at lower frequencies.

Modeling the formation and properties of traditional and non-traditional secondary organic aerosol: problem formulation and application to aircraft exhaust

NASA Astrophysics Data System (ADS)

Jathar, S. H.; Miracolo, M. A.; Presto, A. A.; Donahue, N. M.; Adams, P. J.; Robinson, A. L.

2012-10-01

We present a methodology to model secondary organic aerosol (SOA) formation from the photo-oxidation of unspeciated low-volatility organics (semi-volatile and intermediate volatile organic compounds) emitted by combustion systems. It is formulated using the volatility basis-set approach. Unspeciated low-volatility organics are classified by volatility and then allowed to react with the hydroxyl radical. The new methodology allows for larger reductions in volatility with each oxidation step than previous volatility basis set models, which is more consistent with the addition of common functional groups and similar to those used by traditional SOA models. The methodology is illustrated using data collected during two field campaigns that characterized the atmospheric evolution of dilute gas-turbine engine emissions using a smog chamber. In those experiments, photo-oxidation formed a significant amount of SOA, much of which could not be explained based on the emissions of traditional speciated precursors; we refer to the unexplained SOA as non-traditional SOA (NT-SOA). The NT-SOA can be explained by emissions of unspeciated low-volatility organics measured using sorbents. We show that the parameterization proposed by Robinson et al. (2007) is unable to explain the timing of the NT-SOA formation in the aircraft experiments because it assumes a very modest reduction in volatility of the precursors with every oxidation reaction. In contrast the new method better reproduces the NT-SOA formation. The NT-SOA yields estimated for the unspeciated low-volatility organic emissions in aircraft exhaust are similar to literature data for large n-alkanes and other low-volatility organics. The estimated yields vary with fuel composition (Jet Propellent-8 versus Fischer-Tropsch) and engine load (ground idle versus non-ground idle). The framework developed here is suitable for modeling SOA formation from emissions from other combustion systems.

Volatile transport on Venus and implications for surface geochemistry and geology

NASA Technical Reports Server (NTRS)

Brackett, Robert A.; Fegley, Bruce; Arvidson, Raymond E.

1995-01-01

The high vapor pressure of volatile metal halides and chalcogenides (e.g., of Cu, Zn, Sn, Pb, As, Sb, Bi) at typical Venus surface temperatures, coupled with the altitude-dependent temperature gradient of approximately 8.5 K/km, is calculated to transport volatile metal vapors to the highlands of Venus, where condensation and accumulation will occur. The predicted geochemistry of volatile metals on Venus is supported by observations of CuCl in volcanic gases at Kilauea and Nyiragongo, and large enrichments of these and other volatile elements in terrestrial volcanic aerosols. A one-dimensional finite difference vapor transport model shows the diffusive migration of a thickness of 0.01 to greater than 10 microns/yr of moderately to highly volatile phases (e.g., metal halides and chalcogenides) from the hot lowlands (740 K) to the cold highlands (660 K) on Venus. The diffusive transport of volatile phases on Venus may explain the observed low emissivity of the Venusian highlands, hazes at 6-km altitude observed by two Pioneer Venus entry probes, and the Pioneer Venus entry probe anomalies at 12.5 km.

Functional Parallel Factor Analysis for Functions of One- and Two-dimensional Arguments.

PubMed

Choi, Ji Yeh; Hwang, Heungsun; Timmerman, Marieke E

2018-03-01

Parallel factor analysis (PARAFAC) is a useful multivariate method for decomposing three-way data that consist of three different types of entities simultaneously. This method estimates trilinear components, each of which is a low-dimensional representation of a set of entities, often called a mode, to explain the maximum variance of the data. Functional PARAFAC permits the entities in different modes to be smooth functions or curves, varying over a continuum, rather than a collection of unconnected responses. The existing functional PARAFAC methods handle functions of a one-dimensional argument (e.g., time) only. In this paper, we propose a new extension of functional PARAFAC for handling three-way data whose responses are sequenced along both a two-dimensional domain (e.g., a plane with x- and y-axis coordinates) and a one-dimensional argument. Technically, the proposed method combines PARAFAC with basis function expansion approximations, using a set of piecewise quadratic finite element basis functions for estimating two-dimensional smooth functions and a set of one-dimensional basis functions for estimating one-dimensional smooth functions. In a simulation study, the proposed method appeared to outperform the conventional PARAFAC. We apply the method to EEG data to demonstrate its empirical usefulness.

Quantitative fingerprinting by headspace--two-dimensional comprehensive gas chromatography-mass spectrometry of solid matrices: some challenging aspects of the exhaustive assessment of food volatiles.

PubMed

Nicolotti, Luca; Cordero, Chiara; Cagliero, Cecilia; Liberto, Erica; Sgorbini, Barbara; Rubiolo, Patrizia; Bicchi, Carlo

2013-10-10

The study proposes an investigation strategy that simultaneously provides detailed profiling and quantitative fingerprinting of food volatiles, through a "comprehensive" analytical platform that includes sample preparation by Headspace Solid Phase Microextraction (HS-SPME), separation by two-dimensional comprehensive gas chromatography coupled with mass spectrometry detection (GC×GC-MS) and data processing using advanced fingerprinting approaches. Experiments were carried out on roasted hazelnuts and on Gianduja pastes (sugar, vegetable oil, hazelnuts, cocoa, nonfat dried milk, vanilla flavorings) and demonstrated that the information potential of each analysis can better be exploited if suitable quantitation methods are applied. Quantitation approaches through Multiple Headspace Extraction and Standard Addition were compared in terms of performance parameters (linearity, precision, accuracy, Limit of Detection and Limit of Quantitation) under headspace linearity conditions. The results on 19 key analytes, potent odorants, and technological markers, and more than 300 fingerprint components, were used for further processing to obtain information concerning the effect of the matrix on volatile release, and to produce an informative chemical blueprint for use in sensomics and flavoromics. The importance of quantitation approaches in headspace analysis of solid matrices of complex composition, and the advantages of MHE, are also critically discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Volatile constituents of Trifolium pratense and T. repens from N.E. Italian alpine pastures.

PubMed

Tava, Aldo; Ramella, Daniele; Grecchi, Maris; Aceto, Paolo; Paoletti, Renato; Piano, Efisio

2009-06-01

The composition of the volatile fraction of two important forage legumes from Italian sub-alpine N.E. pastureland, namely Trifolium pratense L. subsp. pratense (red clover) and T. repens subsp. repens (white clover) were investigated. The volatile oil was obtained from the fresh aerial parts by steam distillation and analyzed by GC/FID and GC/MS. The oil yield was 0.018 and 0.021% (weight/fresh weight basis) for T. pratense and T. repens, respectively. Several classes of compounds were found in both the oils, including alcohols, aldehydes, ketones, terpenes, esters, hydrocarbons, phenolics and acids. Qualitative and quantitative differences were found.

Modeling dissolution and volatilization of LNAPL sources migrating on the groundwater table.

PubMed

Kim, Jeongkon; Corapcioglu, M Yavuz

2003-08-01

A vertically averaged two-dimensional model was developed to describe areal spreading and migration of light nonaqueous-phase liquids (LNAPLs) introduced into the subsurface by spills or leaks from underground storage tanks. The NAPL transport model was coupled with two-dimensional contaminant transport models to predict contamination of soil gas and groundwater resulting from a LNAPL migrating on the water table. Numerical solutions were obtained by using the finite-difference method. Simulations and sensitivity analyses were conducted with a LNAPL of pure benzene to study LNAPL migration and groundwater contamination. The model was applied to subsurface contamination by jet fuel. Results indicated that LNAPL migration were affected mostly by volatilization. The generation and movement of the dissolved plume was affected by the geology of the site and the free-product plume. Most of the spilled mass remained as a free LNAPL phase 20 years after the spill. The migration of LNAPL for such a long period resulted in the contamination of both groundwater and a large volume of soil.

Transport of volatile organic compounds across the capillary fringe

USGS Publications Warehouse

McCarthy, Kathleen A.; Johnson, Richard L.

1993-01-01

Physical experiments were conducted to investigate the transport of a dissolved volatile organic compound (trichloroethylene, TCE) from shallow groundwater to the unsaturated zone under a variety of conditions including changes in the soil moisture profile and water table position. Experimental data indicated that at moderate groundwater velocities (0.1 m/d), vertical mechanical dispersion was negligible and molecular diffusion was the dominant vertical transport mechanism. Under these conditions, TCE concentrations decreased nearly 3 orders of magnitude across the capillary fringe and soil gas concentrations remained low relative to those of underlying groundwater. Data collected during a water table drop showed a short-term increase in concentrations throughout most of the unsaturated zone, but these concentrations quickly declined and approached initial values after the water table was returned to its original level. In the deep part of the unsaturated zone, the water table drop resulted in a long-term decrease in concentrations, illustrating the effects of hysteresis in the soil moisture profile. A two-dimensional random walk advection-diffusion model was developed to simulate the experimental conditions, and numerical simulations agreed well with experimental data. A simpler, one-dimensional finite-difference diffusion-dispersion model was also developed. One-dimensional simulations based on molecular diffusion also agreed well with experimental data. Simulations which incorporated mechanical dispersion tended to overestimate flux across the capillary fringe. Good agreement between the one- and two-dimensional models suggested that a simple, one-dimensional approximation of vertical transport across the capillary fringe can be useful when conditions are appropriate.

Effect of different drying techniques on bioactive components, fatty acid composition, and volatile profile of robusta coffee beans.

PubMed

Dong, Wenjiang; Hu, Rongsuo; Chu, Zhong; Zhao, Jianping; Tan, Lehe

2017-11-01

This study investigated the effect of different drying techniques, namely, room-temperature drying (RTD), solar drying (SD), heat-pump drying (HPD), hot-air drying (HAD), and freeze drying (FD), on bioactive components, fatty acid composition, and the volatile compound profile of robusta coffee beans. The data showed that FD was an effective method to preserve fat, organic acids, and monounsaturated fatty acids. In contrast, HAD was ideal for retaining polyunsaturated fatty acids and amino acids. Sixty-two volatile compounds were identified in the differently dried coffee beans, representing 90% of the volatile compounds. HPD of the coffee beans produced the largest number of volatiles, whereas FD resulted in the highest volatile content. A principal component analysis demonstrated a close relationship between the HPD, SD, and RTD methods whereas the FD and HAD methods were significantly different. Overall, the results provide a basis for potential application to other similar thermal sensitive materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identification of Key Root Volatiles Signaling Preference of Tomato Over Spinach by the Root Knot Nematode Meloidogyne incognita.

PubMed

Murungi, Lucy K; Kirwa, Hillary; Coyne, Danny; Teal, Peter E A; Beck, John J; Torto, Baldwyn

2018-06-25

The root knot nematode, Meloidogyne incognita (Kofoid and White) Chitwood, is a serious pest of tomato (Solanum lycopersicum) and spinach (Spinacea oleracea) in sub-Saharan Africa. In East Africa these two crops are economically important and are commonly intercropped by smallholder farmers. The role of host plant volatiles in M. incognita interactions with these two commodities is currently unknown. Here, we investigate the olfactory basis of attraction of tomato and spinach roots by the infective second stage juveniles (J2s) of M. incognita. In olfactometer assays, J2s were attracted to root volatiles from both crops over moist sand (control), but in choice tests using the two host plants, volatiles of tomato roots were more attractive than those released by spinach. Root volatiles sampled by solid phase micro-extraction (SPME) fiber and analysed by gas chromatography/mass spectrometry (GC/MS) identified a total of eight components, of which five (2-isopropyl-3-methoxypyrazine, 2-(methoxy)-3-(1-methylpropyl)pyrazine, tridecane, and α- and β-cedrene) occurred in the root-emitted volatiles of both plants, with three (δ-3-carene, sabinene and methyl salicylate) being specific to tomato root volatiles. In a series of bioassays, methyl salicylate contributed strongly to the attractiveness of tomato, whereas 2-isopropyl-3-methoxypyrazine and tridecane contributed to the attractiveness of spinach. M. incognita J2s were also more attracted to natural spinach root volatiles when methyl salicylate was combined, than to spinach volatiles alone, indicating that the presence of methyl salicylate in tomato volatiles strongly contributes to its preference over spinach. Our results indicate that since both tomato and spinach roots are attractive to M. incognita, identifying cultivars of these two plant species that are chemically less attractive can be helpful in the management of root knot nematodes.

Tuning the thickness of exfoliated quasi-two-dimensional β-Ga2O3 flakes by plasma etching

NASA Astrophysics Data System (ADS)

Kwon, Yongbeom; Lee, Geonyeop; Oh, Sooyeoun; Kim, Jihyun; Pearton, Stephen J.; Ren, Fan

2017-03-01

We demonstrated the thinning of exfoliated quasi-two-dimensional β-Ga2O3 flakes by using a reactive ion etching technique. Mechanical exfoliation of the bulk β-Ga2O3 by using an adhesive tape was followed by plasma etching to tune its thickness. Since β-Ga2O3 is not a van der Waals material, it is challenging to obtain ultra-thin flakes below a thickness of 100 nm. In this study, an etch rate of approximately 16 nm/min was achieved at a power of 200 W with a flow of 50 sccm of SF6, and under these conditions, thinning of β-Ga2O3 flakes from 300 nm down to ˜60 nm was achieved with smooth morphology. We believe that the reaction between SF6 and Ga2O3 results in oxygen and volatile oxygen fluoride compounds, and non-volatile compounds such as GaFX that can be removed by ion bombardment. The opto-electrical properties were also characterized by fabricating solar-blind photodetectors using the plasma-thinned β-Ga2O3 flakes; these detectors showed fast response and decay with excellent responsivity and selectivity. Our results pave the way for tuning the thickness of two-dimensional materials by using this scalable, industry-compatible dry etching technique.

Modeling volatility using state space models.

PubMed

Timmer, J; Weigend, A S

1997-08-01

In time series problems, noise can be divided into two categories: dynamic noise which drives the process, and observational noise which is added in the measurement process, but does not influence future values of the system. In this framework, we show that empirical volatilities (the squared relative returns of prices) exhibit a significant amount of observational noise. To model and predict their time evolution adequately, we estimate state space models that explicitly include observational noise. We obtain relaxation times for shocks in the logarithm of volatility ranging from three weeks (for foreign exchange) to three to five months (for stock indices). In most cases, a two-dimensional hidden state is required to yield residuals that are consistent with white noise. We compare these results with ordinary autoregressive models (without a hidden state) and find that autoregressive models underestimate the relaxation times by about two orders of magnitude since they do not distinguish between observational and dynamic noise. This new interpretation of the dynamics of volatility in terms of relaxators in a state space model carries over to stochastic volatility models and to GARCH models, and is useful for several problems in finance, including risk management and the pricing of derivative securities. Data sets used: Olsen & Associates high frequency DEM/USD foreign exchange rates (8 years). Nikkei 225 index (40 years). Dow Jones Industrial Average (25 years).

High-Dimensional Multi-particle Cat-Like State Teleportation

NASA Astrophysics Data System (ADS)

Zeng, Bei; Liu, Xiao-Shu; Li, Yan-Song; Long, Gui-Lu

2002-11-01

Two kinds of M-particle d-dimensional Schmidt-form entangled state teleportation protocols are presented. In the first protocol, the teleportation is achieved by d-dimensional Bell-basis measurements, while in the second protocol it is realized by d-dimensional GHZ-basis measurement. The project supported by the Major State Basic Research Development Program under Grant No. G200077400, National Natural Science Foundation of China under Grant No. 60073009, the Fok Ying Tung Education Foundation, and the Excellent Young University Teachers' Fund of Education Ministry of China

Three-dimensional micro/nano-scale structure fabricated by combination of non-volatile polymerizable RTIL and FIB irradiation

PubMed Central

Kuwabata, Susumu; Minamimoto, Hiro; Inoue, Kosuke; Imanishi, Akihito; Hosoya, Ken; Uyama, Hiroshi; Torimoto, Tsukasa; Tsuda, Tetsuya; Seki, Shu

2014-01-01

Room-temperature ionic liquid (RTIL) has been widely investigated as a nonvolatile solvent as well as a unique liquid material because of its interesting features, e.g., negligible vapor pressure and high thermal stability. Here we report that a non-volatile polymerizable RTIL is a useful starting material for the fabrication of micro/nano-scale polymer structures with a focused-ion-beam (FIB) system operated under high-vacuum condition. Gallium-ion beam irradiation to the polymerizable 1-allyl-3-ethylimidazolium bis((trifluoromethane)sulfonyl)amide RTIL layer spread on a Si wafer induced a polymerization reaction without difficulty. What is interesting to note is that we have succeeded in provoking the polymerization reaction anywhere on the Si wafer substrate by using FIB irradiation with a raster scanning mode. By this finding, two- and three-dimensional micro/nano-scale polymer structure fabrications were possible at the resolution of 500,000 dpi. Even intricate three-dimensional micro/nano-figures with overhang and hollow moieties could be constructed at the resolution of approximately 100 nm. PMID:24430465

New technique for heterogeneous vapor-phase synthesis of nanostructured metal layers from low-dimensional volatile metal complexes

NASA Astrophysics Data System (ADS)

Badalyan, A. M.; Bakhturova, L. F.; Kaichev, V. V.; Polyakov, O. V.; Pchelyakov, O. P.; Smirnov, G. I.

2011-09-01

A new technique for depositing thin nanostructured layers on semiconductor and insulating substrates that is based on heterogeneous gas-phase synthesis from low-dimensional volatile metal complexes is suggested and tried out. Thin nanostructured copper layers are deposited on silicon and quartz substrates from low-dimensional formate complexes using a combined synthesis-mass transport process. It is found that copper in layers thus deposited is largely in a metal state (Cu0) and has the form of closely packed nanograins with a characteristic structure.

Chemical composition and antimicrobial activity of the volatile fractions from leaves and flowers of the wild Iraqi Kurdish plant Prangos peucedanifolia FENZL.

PubMed

Brusotti, Gloria; Ibrahim, Mohammed Farhad; Dentamaro, Alessandra; Gilardoni, Gianluca; Tosi, Solveig; Grisoli, Pietro; Dacarro, Cesare; Guglielminetti, Maria Lidia; Hussain, Faiq Hama Saeed; Caccialanza, Gabriele; Vidari, Giovanni

2013-02-01

The volatile fractions isolated from Prangos peucedanifolia FENZL leaves and flowers were investigated for their phytochemical composition and biological properties. Flower and leaf hydrodistillation afforded 3.14 and 0.49 g of yellowish oils in 1.25 and 0.41% yields, respectively, from dry vegetable materials. According to the GC-FID and GC/MS analyses, 36 (99.35% of the total oil composition) and 26 compounds (89.12%) were identified in the two oils, respectively. The major constituents in the flower volatile fraction were β-pinene (35.58%), α-pinene (22.13%), and β-phellandrene (12.54%), while m-cresol (50.38%) was the main constituent of the leaf volatile fraction. The antimicrobial activity was evaluated against several bacterial and fungal strains, on the basis of the minimum inhibitory concentration (MIC) by the micro- and macrodilution methods. The two volatile fractions showed moderate antifungal and antibacterial activities, especially against Trichophyton rubrum (MIC of 2×10(3) μg/ml), Streptococcus mutans, Streptococcus pyogenes, and Staphylococcus aureus (MIC≤1.9×10(3) μg/ml for all). Copyright © 2013 Verlag Helvetica Chimica Acta AG, Zürich.

Ripening-dependent metabolic changes in the volatiles of pineapple (Ananas comosus (L.) Merr.) fruit: II. Multivariate statistical profiling of pineapple aroma compounds based on comprehensive two-dimensional gas chromatography-mass spectrometry.

PubMed

Steingass, Christof Björn; Jutzi, Manfred; Müller, Jenny; Carle, Reinhold; Schmarr, Hans-Georg

2015-03-01

Ripening-dependent changes of pineapple volatiles were studied in a nontargeted profiling analysis. Volatiles were isolated via headspace solid phase microextraction and analyzed by comprehensive 2D gas chromatography and mass spectrometry (HS-SPME-GC×GC-qMS). Profile patterns presented in the contour plots were evaluated applying image processing techniques and subsequent multivariate statistical data analysis. Statistical methods comprised unsupervised hierarchical cluster analysis (HCA) and principal component analysis (PCA) to classify the samples. Supervised partial least squares discriminant analysis (PLS-DA) and partial least squares (PLS) regression were applied to discriminate different ripening stages and describe the development of volatiles during postharvest storage, respectively. Hereby, substantial chemical markers allowing for class separation were revealed. The workflow permitted the rapid distinction between premature green-ripe pineapples and postharvest-ripened sea-freighted fruits. Volatile profiles of fully ripe air-freighted pineapples were similar to those of green-ripe fruits postharvest ripened for 6 days after simulated sea freight export, after PCA with only two principal components. However, PCA considering also the third principal component allowed differentiation between air-freighted fruits and the four progressing postharvest maturity stages of sea-freighted pineapples.

Evaluation of the Volatility Basis-Set Approach for Modeling Primary and Secondary Organic Aerosol in the Mexico City Metropolitan Area

NASA Astrophysics Data System (ADS)

Tsimpidi, A. P.; Karydis, V. A.; Pandis, S. N.; Zavala, M.; Lei, W.; Molina, L. T.

2007-12-01

Anthropogenic air pollution is an increasingly serious problem for public health, agriculture, and global climate. Organic material (OM) contributes ~ 20-50% to the total fine aerosol mass at continental mid-latitudes. Although OM accounts for a large fraction of PM2.5 concentration worldwide, the contributions of primary and secondary organic aerosol have been difficult to quantify. In this study, new primary and secondary organic aerosol modules were added to PMCAMx, a three dimensional chemical transport model (Gaydos et al., 2007), for use with the SAPRC99 chemistry mechanism (Carter, 2000; ENVIRON, 2006) based on recent smog chamber studies (Robinson et al., 2007). The new modeling framework is based on the volatility basis-set approach (Lane et al., 2007): both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The emission inventory, which uses as starting point the MCMA 2004 official inventory (CAM, 2006), is modified and the primary organic aerosol (POA) emissions are distributed by volatility based on dilution experiments (Robinson et al., 2007). Sensitivity tests where POA is considered as nonvolatile and POA and SOA as chemically reactive are also described. In all cases PMCAMx is applied in the Mexico City Metropolitan Area during March 2006. The modeling domain covers a 180x180x6 km region in the MCMA with 3x3 km grid resolution. The model predictions are compared with Aerodyne's Aerosol Mass Spectrometry (AMS) observations from the MILAGRO Campaign. References Robinson, A. L.; Donahue, N. M.; Shrivastava, M. K.; Weitkamp, E. A.; Sage, A. M.; Grieshop, A. P.; Lane, T. E.; Pandis, S. N.; Pierce, J. R., 2007. Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259-1262. Gaydos, T. M.; Pinder, R. W.; Koo, B.; Fahey, K. M.; Pandis, S. N., 2007. Development and application of a three- dimensional aerosol chemical transport model, PMCAMx. Atmospheric Environment 41, 2594-2611. Carter, W.P.L., 2000. Programs and Files Implementing the SAPRC-99 Mechanism and its Associates Emissions Processing Procedures for Models-3 and Other Regional Models. January 31, 2000. http://pah.cert.ucr.edu/~carter/SAPRC99.htm. Environ, 2006. User's guide to the comprehensive air quality model with extensions (CAMx). Version 4.30. Report prepared by ENVIRON International Corporation, Novato, CA. Lane, T.E.; Donahue, N. M.; Pandis, S. N. 2007. Simulating Secondary Organic Aerosol Formation using the Votality Basis-Set Approach in a Chemical Transport Model, in preperation. CAM (Comision Ambiental Metropolitana) 2006: Inventario de Emisiones 2004 de la Zona Metropolitana del Valle de Mexico, Mexico. Robinson, A. L.; Donahue, N. M.; Shrivastava, M. K.; Weitkamp, E. A.; Sage, A. M.; Grieshop, A. P.; Lane, T. E.; Pandis, S. N.; Pierce, J. R., 2007. Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259-1262.

Volatility-dependent 2D IR correlation analysis of traditional Chinese medicine ‘Red Flower Oil’ preparation from different manufacturers

NASA Astrophysics Data System (ADS)

Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Tao, Jia-Xun; Noda, Isao

2008-06-01

As a traditional Chinese medicine (TCM), 'Red Flower Oil' preparation is widely used as a household remedy in China and Southeast Asia. Usually, the preparation is a mixture of several plant essential oils with different volatile features, such as wintergreen oil, turpentine oil and clove oil. The proportions of these plant essential oils in 'Red Flower Oil' vary from different manufacturers. Thus, it is important to develop a simple and rapid evaluation method for quality assurance of the preparations. Fourier transform infrared (FT-IR) was applied and two-dimensional correlation infrared spectroscopy (2D IR) based on the volatile characteristic of samples was used to enhance the resolution of FT-IR spectra. 2D IR technique could, not only easily provide the composition and their volatile sequences in 'Red flower Oil' preparations, but also rapidly discriminate the subtle differences in products from different manufacturers. Therefore, FT-IR combined with volatility-dependent 2D IR correlation analysis provides a very fast and effective method for the quality control of essential oil mixtures in TCM.

Excitation basis for (3+1)d topological phases

NASA Astrophysics Data System (ADS)

Delcamp, Clement

2017-12-01

We consider an exactly solvable model in 3+1 dimensions, based on a finite group, which is a natural generalization of Kitaev's quantum double model. The corresponding lattice Hamiltonian yields excitations located at torus-boundaries. By cutting open the three-torus, we obtain a manifold bounded by two tori which supports states satisfying a higher-dimensional version of Ocneanu's tube algebra. This defines an algebraic structure extending the Drinfel'd double. Its irreducible representations, labeled by two fluxes and one charge, characterize the torus-excitations. The tensor product of such representations is introduced in order to construct a basis for (3+1)d gauge models which relies upon the fusion of the defect excitations. This basis is defined on manifolds of the form Σ × S_1 , with Σ a two-dimensional Riemann surface. As such, our construction is closely related to dimensional reduction from (3+1)d to (2+1)d topological orders.

Identifying unknown by-products in drinking water using comprehensive two-dimensional gas chromatography-quadrupole mass spectrometry and in silico toxicity assessment.

PubMed

Li, Chunmei; Wang, Donghong; Li, Na; Luo, Qian; Xu, Xiong; Wang, Zijian

2016-11-01

Improvements in extraction and detection technologies have increased our abilities to identify new disinfection by-products (DBPs) over the last 40 years. However, most previous studies combined DBP identification and measurement efforts with toxicology to address concerns on a few expected DBPs, making it difficult to better define the health risk from the individual DBPs. In this study, a nontargeted screening method involving comprehensive two-dimensional gas chromatography-quadrupole mass spectrometry (GC × GC-qMS) combined with OECD QSAR Toolbox Ver. 3.2 was developed for identifying and prioritizing of volatile and semi-volatile DBPs in drinking water. The method was successfully applied to analyze DBPs formed during chlorination, chloramination or ozonation of the raw water. Over 500 compounds were tentatively identified in each sample, showing the superior performance of this analytical technique. A total of 170 volatile and semi-volatile DBPs representing fourteen chemical classes were then identified, according to the criteria that the DBP was presented in the duplicate treated samples. The genotoxicity and carcinogenicity of the DBPs were evaluated using Toolbox, and 58 DBPs were found to be actual or potential genotoxicants. The accuracy of the compound identification was determined by comparing 47 identified compounds with commercially available standards. About 90% (41 of the 47) of the compounds that were automatically identified using the library were correct. The results show that GC×GC-qMS coupled with a quantitative structure-activity relationship model is a powerful and fast nontargeted screening technique for compounds. The method and results provide us a new idea for identification and prioritization of DBPs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Headspace solid-phase microextraction coupled to comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry for the analysis of aerosol from tobacco heating product.

PubMed

Savareear, Benjamin; Lizak, Radoslaw; Brokl, Michał; Wright, Chris; Liu, Chuan; Focant, Jean-Francois

2017-10-20

A method involving headspace solid-phase microextraction (HS-SPME) and comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOFMS) was developed and optimised to elucidate the volatile composition of the particulate phase fraction of aerosol produced by tobacco heating products (THPs). Three SPME fiber types were studied in terms of extraction capacity and precision measurements. Divinylbenzene polydimethylsiloxane appeared as the most efficient coating for these measurements. A central composite design of experiment was utilised for the optimization of the extraction conditions. Qualitative and semi-quantitative analysis of the headspace above THP aerosol condensate was carried out using optimised extraction conditions. Semi-quantitative analyses of detected constituents were performed by assuming that their relative response factors to the closest internal standard ( i t R ) were equal to 1. Using deconvoluted mass spectral data (library similarity and reverse match >750) and linear retention indices (match window of ±15 index units), 205 peaks were assigned to individual compounds, 82 of which (including 43 substances previously reported to be present in tobacco) have not been reported previously in tobacco aerosol. The major volatile fraction of the headspace contained ketones, alcohols, aldehydes, alicyclic hydrocarbons alkenes, and alkanes. The method was further applied to compare the volatiles from the particulate phase of aerosol composition of THP with that of reference cigarette smoke and showed that the THP produced a less complex chemical mixture. This new method showed good efficiency and precision for the peak areas and peak numbers from the volatile fraction of aerosol particulate phase for both THP and reference cigarettes. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparative analysis of volatiles in traditionally cured Bourbon and Ugandan vanilla bean ( Vanilla planifolia ) extracts.

PubMed

Zhang, Suying; Mueller, Christoph

2012-10-24

Traditionally cured vanilla beans ( Vanilla planifolia ) from Madagascar and Uganda were extracted with organic solvents, and the volatiles were separated from the nonvolatile fraction using the solvent assisted flavor evaporation (SAFE) technique. Concentrated vanilla bean extracts were analyzed using GC-MS and GC-O. Two hundred and forty-six volatile compounds were identified using the Automated Mass Spectral Deconvolution and Identification System (AMDIS) software, of which 13 were confirmed with authentic compounds from commercial sources and the others were tentatively identified on the basis of calibrated linear retention indices and the comparison of deconvoluted mass spectra with the in-house and/or NIST spectra databases. Vanillin was the most abundant constituent followed by guaiacol. The total concentration of the volatile compounds, excluding vanillin, was 301 mg/kg for Bourbon and 398 mg/kg for Ugandan vanilla bean extracts. Analytical comparison between the two vanilla bean extracts was discussed. Seventy-eight compounds were identified as odor-active compounds in the vanilla bean extracts with 10 confirmed with authentic references. It was found that there were substantial analytical differences in the odor-active compounds of the two extracts.

Trace Element Study of H Chondrites: Evidence for Meteoroid Streams.

NASA Astrophysics Data System (ADS)

Wolf, Stephen Frederic

1993-01-01

Multivariate statistical analyses, both linear discriminant analysis and logistic regression, of the volatile trace elemental concentrations in H4-6 chondrites reveal compositionally distinguishable subpopulations. Observed difference in volatile trace element composition between Antarctic and non-Antarctic H4-6 chondrites (Lipschutz and Samuels, 1991) can be explained by a compositionaily distinct subpopulation found in Victoria Land, Antarctica. This population of H4-6 chondrites is compositionally distinct from non-Antarctic H4-6 chondrites and from Antarctic H4 -6 chondrites from Queen Maud Land. Comparisons of Queen Maud Land H4-6 chondrites with non-Antarctic H4-6 chondrites do not give reason to believe that these two populations are distinguishable from each other on the basis of the ten volatile trace element concentrations measured. ANOVA indicates that these differences are not the result of trivial causes such as weathering and analytical bias. Thermoluminescence properties of these populations parallels the results of volatile trace element comparisons. Given the differences in terrestrial age between Victoria Land, Queen Maud Land, and modern H4-6 chondrite falls, these results are consistent with a variation in H4-6 chondrite flux on a 300 ky timescale. This conclusion requires the existence of co-orbital meteoroid streams. Statistical analyses of the volatile trace elemental concentrations in non-Antarctic modern falls of H4-6 chondrites also demonstrate that a group of 13 H4-6 chondrites, Cluster 1, selected exclusively for their distinct fall parameters (Dodd, 1992) is compositionally distinguishable from a control group of 45 non-Antarctic modern H4-6 chondrites on the basis of the ten volatile trace element concentrations measured. Model-independent randomization-simulations based on both linear discriminant analysis and logistic regression verify these results. While ANOVA identifies two possible causes for this difference, analytical bias and group classification, a test validation experiment verifies that group classification is the more significant cause of compositional difference between Cluster 1 and non-Cluster 1 modern H4-6 chondrite falls. Thermoluminescence properties of these populations parallels the results of volatile trace element comparisons. This suggests that these meteorites are fragments of a co-orbital meteorite stream derived from a single parent body.

Full evaporation dynamic headspace in combination with selectable one-dimensional/two-dimensional gas chromatography-mass spectrometry for the determination of suspected fragrance allergens in cosmetic products.

PubMed

Devos, Christophe; Ochiai, Nobuo; Sasamoto, Kikuo; Sandra, Pat; David, Frank

2012-09-14

Suspected fragrance allergens were determined in cosmetic products using a combination of full evaporation-dynamic headspace (FEDHS) with selectable one-dimensional/two-dimensional GC-MS. The full evaporation dynamic headspace approach allows the non-discriminating extraction and injection of both apolar and polar fragrance compounds, without contamination of the analytical system by high molecular weight non-volatile matrix compounds. The method can be applied to all classes of cosmetic samples, including water containing matrices such as shower gels or body creams. In combination with selectable (1)D/(2)D GC-MS, consisting of a dedicated heart-cutting GC-MS configuration using capillary flow technology (CFT) and low thermal mass GC (LTM-GC), a highly flexible and easy-to-use analytical solution is offered. Depending on the complexity of the perfume fraction, analyses can be performed in one-dimensional GC-MS mode or in heart-cutting two-dimensional GC-MS mode, without the need of hardware reconfiguration. The two-dimensional mode with independent temperature control of the first and second dimension column is especially useful to confirm the presence of detected allergen compounds when mass spectral deconvolution is not possible. Copyright © 2012 Elsevier B.V. All rights reserved.

Comparative Analysis of Volatile Composition in Chinese Truffles via GC × GC/HR-TOF/MS and Electronic Nose

PubMed Central

Zhang, Ning; Chen, Haitao; Sun, Baoguo; Mao, Xueying; Zhang, Yuyu; Zhou, Ying

2016-01-01

To compare the volatile compounds of Chinese black truffle and white truffle from Yunnan province, this study presents the application of a direct solvent extraction/solvent-assisted flavor evaporation (DSE-SAFE) coupled with a comprehensive two-dimensional gas chromatography (GC × GC) high resolution time-of-flight mass spectrometry (HR-TOF/MS) and an electronic nose. Both of the analytical methods could distinguish the aroma profile of the two samples. In terms of the overall profile of truffle samples in this research, more kinds of acids were detected via the method of DSE-SAFE. Besides, compounds identified in black truffle (BT), but not in white truffle (WT), or vice versa, and those detected in both samples at different levels were considered to play an important role in differentiating the two samples. According to the analysis of electronic nose, the two samples could be separated, as well. PMID:27058524

A Multi-Resolution Nonlinear Mapping Technique for Design and Analysis Applications

NASA Technical Reports Server (NTRS)

Phan, Minh Q.

1998-01-01

This report describes a nonlinear mapping technique where the unknown static or dynamic system is approximated by a sum of dimensionally increasing functions (one-dimensional curves, two-dimensional surfaces, etc.). These lower dimensional functions are synthesized from a set of multi-resolution basis functions, where the resolutions specify the level of details at which the nonlinear system is approximated. The basis functions also cause the parameter estimation step to become linear. This feature is taken advantage of to derive a systematic procedure to determine and eliminate basis functions that are less significant for the particular system under identification. The number of unknown parameters that must be estimated is thus reduced and compact models obtained. The lower dimensional functions (identified curves and surfaces) permit a kind of "visualization" into the complexity of the nonlinearity itself.

A Multi-Resolution Nonlinear Mapping Technique for Design and Analysis Application

NASA Technical Reports Server (NTRS)

Phan, Minh Q.

1997-01-01

This report describes a nonlinear mapping technique where the unknown static or dynamic system is approximated by a sum of dimensionally increasing functions (one-dimensional curves, two-dimensional surfaces, etc.). These lower dimensional functions are synthesized from a set of multi-resolution basis functions, where the resolutions specify the level of details at which the nonlinear system is approximated. The basis functions also cause the parameter estimation step to become linear. This feature is taken advantage of to derive a systematic procedure to determine and eliminate basis functions that are less significant for the particular system under identification. The number of unknown parameters that must be estimated is thus reduced and compact models obtained. The lower dimensional functions (identified curves and surfaces) permit a kind of "visualization" into the complexity of the nonlinearity itself.

Analysis of underivatised low volatility compounds by comprehensive two-dimensional gas chromatography with a short primary column.

PubMed

Novaes, Fábio Junior Moreira; Kulsing, Chadin; Bizzo, Humberto Ribeiro; de Aquino Neto, Francisco Radler; Rezende, Claudia Moraes; Marriott, Philip John

2018-02-09

Comprehensive two-dimensional gas chromatography (GC×GC) approaches with cryogenic modulation were developed for the qualitative analysis of selected low volatility compounds in raw coffee bean extracts, without derivatisation. The approaches employed short first ( 1 D) and second ( 2 D) dimension columns, specifically a 1 D 65% phenyl methyl siloxane column (11m) and a 2 D 5% phenyl methyl siloxane column (1m), which allowed elution of high molar mass compounds (e.g.>600Da). Solutes included hydrocarbons, fatty acids, diterpenes, tocopherols, sterols, diterpene esters, and di- and triacylglycerides. An oven temperature program up to 370°C was employed. The effects of experimental conditions were investigated, revealing that the GC×GC results strongly depended on the cryogenic trap T, and oven T program. An appropriate condition was selected and further applied for group type analysis of low volatility compounds in green Arabica coffee beans. Retention indices were compiled for 1D GC analysis and were similar for the composite column data in GC×GC. The elution of some compounds was confirmed by use of authentic standards. The approach allowed direct analysis of coffee extract in ethyl acetate solution, with improved analyte peak capacity (approximately 200 compounds were detected) without prior fractionation or pre-treatment of the sample. This avoided potential hydrolysis of high molar mass conjugate esters as well as degradation of thermally labile compounds such as the derivatives of the diterpenes cafestol and kahweol. Copyright © 2017 Elsevier B.V. All rights reserved.

Rapid volatile metabolomics and genomics in large strawberry populations segregating for aroma

USDA-ARS?s Scientific Manuscript database

Volatile organic compounds (VOCs) in strawberry (Fragaria spp.) represent a large portion of the fruit secondary metabolome, and contribute significantly to aroma, flavor, disease resistance, pest resistance and overall fruit quality. Understanding the basis for volatile compound biosynthesis and it...

Observation of entanglement witnesses for orbital angular momentum states

NASA Astrophysics Data System (ADS)

Agnew, M.; Leach, J.; Boyd, R. W.

2012-06-01

Entanglement witnesses provide an efficient means of determining the level of entanglement of a system using the minimum number of measurements. Here we demonstrate the observation of two-dimensional entanglement witnesses in the high-dimensional basis of orbital angular momentum (OAM). In this case, the number of potentially entangled subspaces scales as d(d - 1)/2, where d is the dimension of the space. The choice of OAM as a basis is relevant as each subspace is not necessarily maximally entangled, thus providing the necessary state for certain tests of nonlocality. The expectation value of the witness gives an estimate of the state of each two-dimensional subspace belonging to the d-dimensional Hilbert space. These measurements demonstrate the degree of entanglement and therefore the suitability of the resulting subspaces for quantum information applications.

Fast Fourier single-pixel imaging via binary illumination.

PubMed

Zhang, Zibang; Wang, Xueying; Zheng, Guoan; Zhong, Jingang

2017-09-20

Fourier single-pixel imaging (FSI) employs Fourier basis patterns for encoding spatial information and is capable of reconstructing high-quality two-dimensional and three-dimensional images. Fourier-domain sparsity in natural scenes allows FSI to recover sharp images from undersampled data. The original FSI demonstration, however, requires grayscale Fourier basis patterns for illumination. This requirement imposes a limitation on the imaging speed as digital micro-mirror devices (DMDs) generate grayscale patterns at a low refreshing rate. In this paper, we report a new strategy to increase the speed of FSI by two orders of magnitude. In this strategy, we binarize the Fourier basis patterns based on upsampling and error diffusion dithering. We demonstrate a 20,000 Hz projection rate using a DMD and capture 256-by-256-pixel dynamic scenes at a speed of 10 frames per second. The reported technique substantially accelerates image acquisition speed of FSI. It may find broad imaging applications at wavebands that are not accessible using conventional two-dimensional image sensors.

Shrinkage Behavior of Polystyrene-based Foam Molded Parts Depending on Volatile Matter Content and Other Factors

NASA Astrophysics Data System (ADS)

Ghafafian, Carineh

Polymer foam materials play a large role in the modern world. Expanded polystyrene (EPS) bead foam is a lightweight, low density, and good thermal and acoustic insulating material whose properties make it attractive for a number of applications, especially as building insulation. However, EPS also experiences post-molding shrinkage; it shrinks dimensionally from its molded size after processing. This means parts must be stored in warehouses until they are considered stable by the industry standard, DIN EN 1603. This often takes 11--18 weeks and is thus very timely and expensive. This study aims to decrease the post-molding shrinkage time of EPS foam by understanding the mechanisms of shrinkage behavior. Samples were split into two groups based on their amount of initial volatile matter content and storage conditions, then compared to a control group. Based on thermogravimetric analysis and gas chromatography with mass spectrometry, the volatile matter content and composition was found to not be the sole contributor to EPS foam dimensional stability. Residual stress testing was done with the hole drilling method and Raman spectroscopy. As this type of testing has not been done with polymer foams before, the aim was to see if either method could reliably produce residual stress values. Both methods measured residual stress values with unknown accuracy. All samples stored at a higher temperature (60°C) reached dimensional stability by the end of this study. Thus, air diffusion into EPS foam, encouraged by the high temperature storage, was found to play a significant role in post-molding shrinkage.

Qualitative and Quantitative Differences in Herbivore-Induced Plant Volatile Blends from Tomato Plants Infested by Either Tuta absoluta or Bemisia tabaci.

PubMed

Silva, Diego B; Weldegergis, Berhane T; Van Loon, Joop J A; Bueno, Vanda H P

2017-01-01

Plants release a variety of volatile organic compounds that play multiple roles in the interactions with other plants and animals. Natural enemies of plant-feeding insects use these volatiles as cues to find their prey or host. Here, we report differences between the volatile blends of tomato plants infested with the whitefly Bemisia tabaci or the tomato borer Tuta absoluta. We compared the volatile emission of: (1) clean tomato plants; (2) tomato plants infested with T. absoluta larvae; and (3) tomato plants infested with B. tabaci adults, nymphs, and eggs. A total of 80 volatiles were recorded of which 10 occurred consistently only in the headspace of T. absoluta-infested plants. Many of the compounds detected in the headspace of the two herbivory treatments were emitted at different rates. Plants damaged by T. absoluta emitted at least 10 times higher levels of many compounds compared to plants damaged by B. tabaci and intact plants. The multivariate separation of T. absoluta-infested plants from those infested with B. tabaci was due largely to the chorismate-derived compounds as well as volatile metabolites of C 18 -fatty acids and branched chain amino acids that had higher emission rates from T. absoluta-infested plants, whereas the cyclic sesquiterpenes α- and β-copaene, valencene, and aristolochene were emitted at significantly higher levels from B. tabaci-infested plants. Our findings imply that feeding by T. absoluta and B. tabaci induced emission of volatile blends that differ quantitatively and qualitatively, providing a chemical basis for the recently documented behavioral discrimination by two generalist predatory mirid species, natural enemies of T. absoluta and B. tabaci employed in biological control.

On the theory of oscillating airfoils of finite span in subsonic compressible flow

NASA Technical Reports Server (NTRS)

Reissner, Eric

1950-01-01

The problem of oscillating lifting surface of finite span in subsonic compressible flow is reduced to an integral equation. The kernel of the integral equation is approximated by a simpler expression, on the basis of the assumption of sufficiently large aspect ratio. With this approximation the double integral occurring in the formulation of the problem is reduced to two single integrals, one of which is taken over the chord and the other over the span of the lifting surface. On the basis of this reduction the three-dimensional problem appears separated into two two-dimensional problems, one of them being effectively the problem of two-dimensional flow and the other being the problem of spanwise circulation distribution. Earlier results concerning the oscillating lifting surface of finite span in incompressible flow are contained in the present more general results.

Screening of oil sources by using comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry and multivariate statistical analysis.

PubMed

Zhang, Wanfeng; Zhu, Shukui; He, Sheng; Wang, Yanxin

2015-02-06

Using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC/TOFMS), volatile and semi-volatile organic compounds in crude oil samples from different reservoirs or regions were analyzed for the development of a molecular fingerprint database. Based on the GC×GC/TOFMS fingerprints of crude oils, principal component analysis (PCA) and cluster analysis were used to distinguish the oil sources and find biomarkers. As a supervised technique, the geological characteristics of crude oils, including thermal maturity, sedimentary environment etc., are assigned to the principal components. The results show that tri-aromatic steroid (TAS) series are the suitable marker compounds in crude oils for the oil screening, and the relative abundances of individual TAS compounds have excellent correlation with oil sources. In order to correct the effects of some other external factors except oil sources, the variables were defined as the content ratio of some target compounds and 13 parameters were proposed for the screening of oil sources. With the developed model, the crude oils were easily discriminated, and the result is in good agreement with the practical geological setting. Copyright © 2014 Elsevier B.V. All rights reserved.

Analytic reconstruction of magnetic resonance imaging signal obtained from a periodic encoding field.

PubMed

Rybicki, F J; Hrovat, M I; Patz, S

2000-09-01

We have proposed a two-dimensional PERiodic-Linear (PERL) magnetic encoding field geometry B(x,y) = g(y)y cos(q(x)x) and a magnetic resonance imaging pulse sequence which incorporates two fields to image a two-dimensional spin density: a standard linear gradient in the x dimension, and the PERL field. Because of its periodicity, the PERL field produces a signal where the phase of the two dimensions is functionally different. The x dimension is encoded linearly, but the y dimension appears as the argument of a sinusoidal phase term. Thus, the time-domain signal and image spin density are not related by a two-dimensional Fourier transform. They are related by a one-dimensional Fourier transform in the x dimension and a new Bessel function integral transform (the PERL transform) in the y dimension. The inverse of the PERL transform provides a reconstruction algorithm for the y dimension of the spin density from the signal space. To date, the inverse transform has been computed numerically by a Bessel function expansion over its basis functions. This numerical solution used a finite sum to approximate an infinite summation and thus introduced a truncation error. This work analytically determines the basis functions for the PERL transform and incorporates them into the reconstruction algorithm. The improved algorithm is demonstrated by (1) direct comparison between the numerically and analytically computed basis functions, and (2) reconstruction of a known spin density. The new solution for the basis functions also lends proof of the system function for the PERL transform under specific conditions.

Optimization of Turbine Blade Design for Reusable Launch Vehicles

NASA Technical Reports Server (NTRS)

Shyy, Wei

1998-01-01

To facilitate design optimization of turbine blade shape for reusable launching vehicles, appropriate techniques need to be developed to process and estimate the characteristics of the design variables and the response of the output with respect to the variations of the design variables. The purpose of this report is to offer insight into developing appropriate techniques for supporting such design and optimization needs. Neural network and polynomial-based techniques are applied to process aerodynamic data obtained from computational simulations for flows around a two-dimensional airfoil and a generic three- dimensional wing/blade. For the two-dimensional airfoil, a two-layered radial-basis network is designed and trained. The performances of two different design functions for radial-basis networks, one based on the accuracy requirement, whereas the other one based on the limit on the network size. While the number of neurons needed to satisfactorily reproduce the information depends on the size of the data, the neural network technique is shown to be more accurate for large data set (up to 765 simulations have been used) than the polynomial-based response surface method. For the three-dimensional wing/blade case, smaller aerodynamic data sets (between 9 to 25 simulations) are considered, and both the neural network and the polynomial-based response surface techniques improve their performance as the data size increases. It is found while the relative performance of two different network types, a radial-basis network and a back-propagation network, depends on the number of input data, the number of iterations required for radial-basis network is less than that for the back-propagation network.

78 FR 9955 - Self-Regulatory Organizations; BATS Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-12

... Change To Extend the Pilot Program Related to Trading Pauses Due to Extraordinary Market Volatility... Rule 11.18, entitled ``Trading Halts Due to Extraordinary Market Volatility.'' The text of the proposed... stocks become, on a rolling basis, subject to the Plan to Address Extraordinary Market Volatility...

Identification of Major Histocompatibility Complex-Regulated Body Odorants by Statistical Analysis of a Comparative Gas Chromatography/Mass Spectrometry Experiment

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

Willse, Alan R.; Belcher, Ann; Preti, George

2005-04-15

Gas chromatography (GC), combined with mass spectrometry (MS) detection, is a powerful analytical technique that can be used to separate, quantify, and identify volatile compounds in complex mixtures. This paper examines the application of GC-MS in a comparative experiment to identify volatiles that differ in concentration between two groups. A complex mixture might comprise several hundred or even thousands of volatile compounds. Because their number and location in a chromatogram generally are unknown, and because components overlap in populous chromatograms, the statistical problems offer significant challenges beyond traditional two-group screening procedures. We describe a statistical procedure to compare two-dimensional GC-MSmore » profiles between groups, which entails (1) signal processing: baseline correction and peak detection in single ion chromatograms; (2) aligning chromatograms in time; (3) normalizing differences in overall signal intensities; and (4) detecting chromatographic regions that differ between groups. Compared to existing approaches, the proposed method is robust to errors made at earlier stages of analysis, such as missed peaks or slightly misaligned chromatograms. To illustrate the method, we identify differences in GC-MS chromatograms of ether-extracted urine collected from two nearly identical inbred groups of mice, to investigate the relationship between odor and genetics of the major histocompatibility complex.« less

Deuterium enrichment in the primitive ices of the protosolar nebula

NASA Technical Reports Server (NTRS)

Lutz, Barry L.; Owen, Tobias; De Bergh, Catherine

1990-01-01

On the basis of CH3D/CH4-ratio observations in the outer planets, the present effort to estimate the D/H ratio of the protosolar nebula's primitive ices arrives at two simple, yet effectively limiting models which constrain the degree of dilution undergone by deuterated volatiles through mixing with the initial hydrogen envelopes. These volatiles would have been contributed to planetary atmospheres by evaporated primordial ices. Ice D/H ratio model results of 0.0001 to 0.001 are compared with values for other potentially primitive material-containing bodies in the solar system, as well as with D/H ratio values from interstellar polyatomic molecules.

Flow-switching device for comprehensive two-dimensional gas chromatography.

PubMed

Bueno, Pedro A; Seeley, John V

2004-02-20

A simple flow-switching device has been developed as a differential flow modulator for comprehensive two-dimensional gas chromatography (GC x GC). The device is assembled from tubing, four tee unions, and a solenoid valve. The solenoid valve is located outside the oven of the gas chromatograph and is not in the sample path. The modulation technique has no inherent temperature restrictions and passes 100% of the primary column effluent to the secondary column(s). Secondary peaks are produced with widths at half maximum less than 100 ms when operating in GC x 2GC mode with a 2.0 s modulation period. The efficacy of this approach is demonstrated through the analysis of a standard mixture of volatile organic compounds (VOCs) and diesel fuel.

Can volatile organic metabolites be used to simultaneously assess microbial and mite contamination level in cereal grains and coffee beans?

PubMed

Salvador, Angelo C; Baptista, Inês; Barros, António S; Gomes, Newton C M; Cunha, Angela; Almeida, Adelaide; Rocha, Silvia M

2013-01-01

A novel approach based on headspace solid-phase microextraction (HS-SPME) combined with comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-ToFMS) was developed for the simultaneous screening of microbial and mite contamination level in cereals and coffee beans. The proposed approach emerges as a powerful tool for the rapid assessment of the microbial contamination level (ca. 70 min versus ca. 72 to 120 h for bacteria and fungi, respectively, using conventional plate counts), and mite contamination (ca. 70 min versus ca. 24 h). A full-factorial design was performed for optimization of the SPME experimental parameters. The methodology was applied to three types of rice (rough, brown, and white rice), oat, wheat, and green and roasted coffee beans. Simultaneously, microbiological analysis of the samples (total aerobic microorganisms, moulds, and yeasts) was performed by conventional plate counts. A set of 54 volatile markers was selected among all the compounds detected by GC×GC-ToFMS. Principal Component Analysis (PCA) was applied in order to establish a relationship between potential volatile markers and the level of microbial contamination. Methylbenzene, 3-octanone, 2-nonanone, 2-methyl-3-pentanol, 1-octen-3-ol, and 2-hexanone were associated to samples with higher microbial contamination level, especially in rough rice. Moreover, oat exhibited a high GC peak area of 2-hydroxy-6-methylbenzaldehyde, a sexual and alarm pheromone for adult mites, which in the other matrices appeared as a trace component. The number of mites detected in oat grains was correlated to the GC peak area of the pheromone. The HS-SPME/GC×GC-ToFMS methodology can be regarded as the basis for the development of a rapid and versatile method that can be applied in industry to the simultaneous assessment the level of microbiological contamination and for detection of mites in cereals grains and coffee beans.

Can Volatile Organic Metabolites Be Used to Simultaneously Assess Microbial and Mite Contamination Level in Cereal Grains and Coffee Beans?

PubMed Central

Salvador, Ângelo C.; Baptista, Inês; Barros, António S.; Gomes, Newton C. M.; Cunha, Ângela; Almeida, Adelaide; Rocha, Silvia M.

2013-01-01

A novel approach based on headspace solid-phase microextraction (HS-SPME) combined with comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC×GC–ToFMS) was developed for the simultaneous screening of microbial and mite contamination level in cereals and coffee beans. The proposed approach emerges as a powerful tool for the rapid assessment of the microbial contamination level (ca. 70 min versus ca. 72 to 120 h for bacteria and fungi, respectively, using conventional plate counts), and mite contamination (ca. 70 min versus ca. 24 h). A full-factorial design was performed for optimization of the SPME experimental parameters. The methodology was applied to three types of rice (rough, brown, and white rice), oat, wheat, and green and roasted coffee beans. Simultaneously, microbiological analysis of the samples (total aerobic microorganisms, moulds, and yeasts) was performed by conventional plate counts. A set of 54 volatile markers was selected among all the compounds detected by GC×GC–ToFMS. Principal Component Analysis (PCA) was applied in order to establish a relationship between potential volatile markers and the level of microbial contamination. Methylbenzene, 3-octanone, 2-nonanone, 2-methyl-3-pentanol, 1-octen-3-ol, and 2-hexanone were associated to samples with higher microbial contamination level, especially in rough rice. Moreover, oat exhibited a high GC peak area of 2-hydroxy-6-methylbenzaldehyde, a sexual and alarm pheromone for adult mites, which in the other matrices appeared as a trace component. The number of mites detected in oat grains was correlated to the GC peak area of the pheromone. The HS-SPME/GC×GC–ToFMS methodology can be regarded as the basis for the development of a rapid and versatile method that can be applied in industry to the simultaneous assessment the level of microbiological contamination and for detection of mites in cereals grains and coffee beans. PMID:23613710

Volatile-bearing phases in carbonaceous chondrites: Compositions, modal abundance, and reaction kinetics

NASA Technical Reports Server (NTRS)

Ganguly, Jibamitra

1990-01-01

The spectral and density characteristics of Phobos and Deimos (the two small natural satellites of Mars) strongly suggest that a significant fraction of the near-earth asteroids are made of carbonaceous chondrites, which are rich in volatile components and, thus, could serve as potential resources for propellants and life supporting systems in future planetary missions. However, in order to develop energy efficient engineering designs for the extraction of volatiles, knowledge of the nature and modal abundance of the minerals in which the volatiles are structurally bound and appropriate kinetic data on the rates of the devolatilization reactions is required. Theoretical calculations to predict the modal abundances and compositions of the major volatile-bearing and other mineral phases that could develop in the bulk compositions of C1 and C2 classes (the most volatile rich classes among the carbonaceous chondrites) were performed as functions of pressure and temperature. The rates of dehydration of talc at 585, 600, 637, and 670 C at P(total) = 1 bar were determine for the reaction: Talc = 3 enstatite + quartz + water. A scanning electron microscopic study was conducted to see if the relative abundance of phases can be determined on the basis of the spectral identification and x ray mapping. The results of this study and the other studies within the project are discussed.

Group-theoretical analysis of two-dimensional hexagonal materials

NASA Astrophysics Data System (ADS)

Minami, Susumu; Sugita, Itaru; Tomita, Ryosuke; Oshima, Hiroyuki; Saito, Mineo

2017-10-01

Two-dimensional hexagonal materials such as graphene and silicene have highly symmetric crystal structures and Dirac cones at the K point, which induce novel electronic properties. In this report, we calculate their electronic structures by using density functional theory and analyze their band structures on the basis of the group theory. Dirac cones frequently appear when the symmetry at the K point is high; thus, two-dimensional irreducible representations are included. We discuss the relationship between symmetry and the appearance of the Dirac cone.

Relationships between volatile compounds and sensory characteristics in virgin olive oil by analytical and chemometric approaches.

PubMed

Procida, Giuseppe; Cichelli, Angelo; Lagazio, Corrado; Conte, Lanfranco S

2016-01-15

The volatile fraction of virgin olive oil is characterised by low molecular weight compounds that vaporise at room temperature. In order to obtain an aroma profile similar to natural olfactory perception, the composition of the volatile compounds was determined by applying dynamic headspace gas chromatography, performed at room temperature, with a cryogenic trap directly connected to a gas chromatograph-mass spectrometer system. Samples were also evaluated according to European Union and International Olive Council official methods for sensory evaluation. In this paper, the composition of the volatile fraction of 25 extra virgin olive oils from different regions of Italy was analysed and some preliminary considerations on relationships between chemical composition of volatile fraction and sensory characteristics are reported. Forty-two compounds were identified by means of the particular analytical technique used. All the analysed samples, classified as extra virgin by the panel test, never present peaks whose magnitude is important enough in defected oils. The study was focused on the evaluation of volatile compounds responsible for the positive impact on olive odour properties ('green-fruity' and 'sweet') and olfactory perception. Chemometric evaluation of data, obtained through headspace analysis and the panel test evaluation, showed a correlation between chemical compounds and sensory properties. On the basis of the results, the positive attributes of virgin olive oil are divided into two separated groups: sweet types or green types. Sixteen volatile compounds with known positive impact on odour properties were extracted and identified. In particular, eight compounds seem correlated with sweet properties whereas the green sensation appears to be correlated with eight other different substances. The content of the compounds at six carbon atoms proves to be very important in defining positive attributes of extra virgin olive oils and sensory evaluation. © 2015 Society of Chemical Industry.

SAR Processing Based On Two-Dimensional Transfer Function

NASA Technical Reports Server (NTRS)

Chang, Chi-Yung; Jin, Michael Y.; Curlander, John C.

1994-01-01

Exact transfer function, ETF, is two-dimensional transfer function that constitutes basis of improved frequency-domain-convolution algorithm for processing synthetic-aperture-radar, SAR data. ETF incorporates terms that account for Doppler effect of motion of radar relative to scanned ground area and for antenna squint angle. Algorithm based on ETF outperforms others.

The history of Martian volatiles

NASA Astrophysics Data System (ADS)

Jakosky, Bruce M.; Jones, John H.

The behavior of water and other volatiles on Mars is key to understanding the evolution of the climate. The early climate played a fundamental role in producing the observed surface morphology and possibly in enabling the existence of an early biosphere. Geochemical and isotopic data can be used to infer the history of volatiles. On the basis of the isotopic data from the atmosphere and from components of the surface (as measured in meteorites that come from Mars), there appear to be at least two reservoirs of volatiles, one that has undergone exchange with the atmosphere and has been isotopically fractionated, and a second that is unfractionated and may represent juvenile gases. The fractionation of the atmospheric component has occurred primarily through the escape of gas to space. In addition, the atmospheric gases have mixed substantially with crustal reservoirs of volatiles. Such exchange may have occurred in aqueous or hydrothermal environments. The history of escape to space, as driven by the properties of the Sun through time, is consistent with the surface geomorphology. Together, they suggest an early environment that was substantially different from the present one and the evolution through time to a colder, dryer climate.

Molecular and genomic basis of volatile-mediated indirect defense against insects in rice.

PubMed

Yuan, Joshua S; Köllner, Tobias G; Wiggins, Greg; Grant, Jerome; Degenhardt, Jörg; Chen, Feng

2008-08-01

Rice plants fed on by fall armyworm (Spodoptera frugiperda, FAW) caterpillars emit a blend of volatiles dominated by terpenoids. These volatiles were highly attractive to females of the parasitoid Cotesia marginiventris. Microarray analysis identified 196 rice genes whose expression was significantly upregulated by FAW feeding, 18 of which encode metabolic enzymes potentially involved in volatile biosynthesis. Significant induction of expression of seven of the 11 terpene synthase (TPS) genes identified through the microarray experiments was confirmd using real-time RT-PCR. Enzymes encoded by three TPS genes, Os02g02930, Os08g07100 and Os08g04500, were biochemically characterized. Os02g02930 was found to encode a monoterpene synthase producing the single product S-linalool, which is the most abundant volatile emitted from FAW-damaged rice plants. Both Os08g07100 and Os08g04500 were found to encode sesquiterpene synthases, each producing multiple products. These three enzymes are responsible for production of the majority of the terpenes released from FAW-damaged rice plants. In addition to TPS genes, several key genes in the upstream terpenoid pathways were also found to be upregulated by FAW feeding. This paper provides a comprehensive analysis of FAW-induced volatiles and the corresponding volatile biosynthetic genes potentially involved in indirect defense in rice. Evolution of the genetic basis governing volatile terpenoid biosynthesis for indirect defense is discussed.

Representation of the five- and six-dimensional harmonic oscillators in a u(5) ⊃ so(5) ⊃ so(3) basis

NASA Astrophysics Data System (ADS)

Rowe, D. J.

1994-06-01

The duality that exists between the two subgroups SU(1,1) and O(5) of Sp(5,R) to construct basis states for the five-dimensional harmonic oscillator which simultaneously reduce the Sp(5,R)⊇U(5)⊇O(5)⊇SO(3) and Sp(5,R)⊇ SU(1,1)⊇U(1) subgroup chains is used. It is shown that the vector-coherent-state wave functions of the fundamental five-dimensional SO(5) irrep [1,0] realize the traceless bosons introduced by Lohe and Hurst to classify the irreps of the orthogonal groups and employed in Chacon, Moshinsky, and Sharp's construction of a basis for the five-dimensional harmonic oscillator. Moreover, it is shown that VCS theory provides a simple mechanism for constructing matrix elements of the traceless boson operators. These matrix elements are used to extend the VCS representations of SO(5) in an SO(3) basis, given in a previous paper, to irreps of U(5) in an SO(5)⊇ SO(3) basis. The extension to U(6)⊇U(5)⊇SO(5)⊇SO(3) is also given.

Vast Volatility Matrix Estimation using High Frequency Data for Portfolio Selection*

PubMed Central

Fan, Jianqing; Li, Yingying; Yu, Ke

2012-01-01

Portfolio allocation with gross-exposure constraint is an effective method to increase the efficiency and stability of portfolios selection among a vast pool of assets, as demonstrated in Fan et al. (2011). The required high-dimensional volatility matrix can be estimated by using high frequency financial data. This enables us to better adapt to the local volatilities and local correlations among vast number of assets and to increase significantly the sample size for estimating the volatility matrix. This paper studies the volatility matrix estimation using high-dimensional high-frequency data from the perspective of portfolio selection. Specifically, we propose the use of “pairwise-refresh time” and “all-refresh time” methods based on the concept of “refresh time” proposed by Barndorff-Nielsen et al. (2008) for estimation of vast covariance matrix and compare their merits in the portfolio selection. We establish the concentration inequalities of the estimates, which guarantee desirable properties of the estimated volatility matrix in vast asset allocation with gross exposure constraints. Extensive numerical studies are made via carefully designed simulations. Comparing with the methods based on low frequency daily data, our methods can capture the most recent trend of the time varying volatility and correlation, hence provide more accurate guidance for the portfolio allocation in the next time period. The advantage of using high-frequency data is significant in our simulation and empirical studies, which consist of 50 simulated assets and 30 constituent stocks of Dow Jones Industrial Average index. PMID:23264708

Metabolomics strategy for the mapping of volatile exometabolome from Saccharomyces spp. widely used in the food industry based on comprehensive two-dimensional gas chromatography.

PubMed

Martins, Cátia; Brandão, Tiago; Almeida, Adelaide; Rocha, Sílvia M

2017-05-01

Saccharomyces spp. are widely used in the food and beverages industries. Their cellular excreted metabolites are important for general quality of products and can contribute to product differentiation. This exploratory study presents a metabolomics strategy for the comprehensive mapping of cellular metabolites of two yeast species, Saccharomyces cerevisiae and S. pastorianus (both collected in an industrial context) through a multidimensional chromatography platform. Solid-phase microextraction was used as a sample preparation method. The yeast viability, a specific technological quality parameter, was also assessed. This untargeted analysis allowed the putative identification of 525 analytes, distributed over 14 chemical families, the origin of which may be explained through the pathways network associated with yeasts metabolism. The expression of the different metabolic pathways was similar for both species, event that seems to be yeast genus dependent. Nevertheless, these species showed different growth rates, which led to statistically different metabolites content. This was the first in-depth approach that characterizes the headspace content of S. cerevisiae and S. pastorianus species cultures. The combination of a sample preparation method capable of providing released volatile metabolites directly from yeast culture headspace with comprehensive two-dimensional gas chromatography was successful in uncovering a specific metabolomic pattern for each species. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of organic aromatic compounds in soils affected by an uncontrolled tire landfill fire through the use of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.

PubMed

Escobar-Arnanz, J; Mekni, S; Blanco, G; Eljarrat, E; Barceló, D; Ramos, L

2018-02-09

Discarded vehicle tires have become an increasing concern worldwide due to the enormous amount of wastes generated and the increasing evidence of health problems associated to their disposal and accidental combustion. Previous studies conducted involving either simulated or open uncontrolled tire fires have identified aromatics belonging to two main classes, volatile organic compounds and polycyclic aromatic compounds (PAHs), as the most relevant chemicals generated in these burning processes. As a consequence, and due to their recognized toxicity, most studies reported up to now have mainly focused on these two categories of compounds being information concerning the possible occurrence of other aromatic classes rather limited. In this study, the enhanced separation power and structural confirmation capabilities provided by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-ToF MS) has been used, for the first time, for the non-targeted analysis of soils impacted by a tire fire and an ash collected at the scene of the fire. In total, 118 volatile and semi-volatile aromatic compounds have been differentiated. Among them, 104 compounds have been either positively or tentatively identified. PAHs with 3-5 rings and their alkyl-derivatives were the most numerous and relevant classes in the investigated samples. A significant number of sulfur, oxygen- and nitrogen-containing PAHs were also detected in the samples. The application of a script function to the raw GC×GC-ToF MS data allowed the fast filtering and automatic recognition of compounds containing halogens in their structure. This part of the study evidenced that only a limited number of regulated persistent organic pollutants were present in the investigated samples. However, it also revealed the presence of emerging organophosphorous flame retardants, whose levels in tire fire impacted soils are reported for the first time. Copyright © 2017 Elsevier B.V. All rights reserved.

Olfactory basis of floral preference of the malaria vector Anopheles gambiae (Diptera: Culicidae) among common African plants.

PubMed

Nikbakhtzadeh, Mahmood R; Terbot, John W; Otienoburu, Philip E; Foster, Woodbridge A

2014-12-01

Mosquitoes of both sexes feed on plants to obtain sugar. Nocturnal species probably locate the plants primarily by their volatile semiochemicals that also form the basis for the mosquitoes' innate plant-species preferences. To evaluate these olfactory preferences quantitatively, we used a two-choice wind-tunnel olfactometer to measure the upwind orientation of Anopheles gambiae Giles, an important vector of malaria in equatorial Africa, toward odor plumes produced by nine plant species common where this mosquito occurs. These plants are reported to induce feeding behaviors in An. gambiae and to produce floral or extrafloral nectar. Results presented here demonstrated that the volatiles of S. didymobotrya, P. hysterophorus, S. occidentalis, and L. camara, in descending order of numbers of mosquitoes responding, were all attractive, compared to a control plant species, whereas D. stramonium, R. communis, S. bicapsularis, T. stans, and T. diversifolia were not. As expected, chromatographic analysis of the headspace of attractive plants whose volatiles were captured by stir-bar sorptive extraction revealed a wide range of compounds, primarily terpenoids. Once their bioactivity and attractiveness for An. gambiae, alone and in blends, has been firmly established, some of these semiochemicals may have applications in population sampling and control. © 2014 The Society for Vector Ecology.

75 FR 17987 - Self-Regulatory Organizations; Notice of Filing and Immediate Effectiveness of Proposed Rule...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-08

... time on an intraday basis at its discretion if it determined that volatility warranted deactivation. Members would be notified of intraday OPP deactivation due to volatility and any subsequent intraday...

Volatile compounds in cryptic species of the Aneura pinguis complex and Aneura maxima (Marchantiophyta, Metzgeriidae).

PubMed

Wawrzyniak, Rafał; Wasiak, Wiesław; Bączkiewicz, Alina; Buczkowska, Katarzyna

2014-09-01

Aneura pinguis is one of the liverwort species complexes that consist of several cryptic species. Ten samples collected from different regions in Poland are in the focus of our research. Eight of the A. pinguis complex belonging to four cryptic species (A, B, C, E) and two samples of closely related species Aneura maxima were tested for the composition of volatile compounds. The HS-SPME technique coupled to GC/FID and GC/MS analysis has been applied. The fiber coated with DVB/CAR/PDMS has been used. The results of the present study, revealed the qualitative and quantitative differences in the composition of the volatile compounds between the studied species. Mainly they are from the group of sesquiterpenoids, oxygenated sesquiterpenoids and aliphatic hydrocarbons. The statistical methods (CA and PCA) showed that detected volatile compounds allow to distinguish cryptic species of A. pinguis. All examined cryptic species of the A. pinguis complex differ from A. maxima. Species A and E of A. pinguis, in CA and PCA, form separate clusters remote from two remaining cryptic species of A. pinguis (B and C) and A. maxima. Relationship between the cryptic species appeared from the chemical studies are in accordance with that revealed on the basis of DNA sequences. Copyright © 2014 Elsevier Ltd. All rights reserved.

Controlled Self-Assembly of Low-Dimensional Alq3 Nanostructures from 1D Nanowires to 2D Plates via Intermolecular Interactions

NASA Astrophysics Data System (ADS)

Gu, Jianmin; Yin, Baipeng; Fu, Shaoyan; Jin, Cuihong; Liu, Xin; Bian, Zhenpan; Li, Jianjun; Wang, Lu; Li, Xiaoyu

2018-03-01

Due to the intense influence of the shape and size of the photon building blocks on the limitation and guidance of optical waves, an important strategy is the fabrication of different structures. Herein, organic semiconductor tris-(8-hydroxyquinoline)aluminium (Alq3) nanostructures with controllable morphology, ranging from one-dimensional nanowires to two-dimensional plates, have been prepared through altering intermolecular interactions with employing the anti-solvent diffusion cooperate with solvent-volatilization induced self-assembly method. The morphologies of the formed nanostructures, which are closely related to the stacking modes of the molecules, can be exactly controlled by altering the polarity of anti-solvents that can influence various intermolecular interactions. The synthesis strategy reported here can potentially be extended to other functional organic nanomaterials.

[Study on volatile components from flowers of Gymnema sylvestre].

PubMed

Qiu, Qin; Zhen, Han-Shen; Huang, Pei-Qian

2013-04-01

To analyze the volatile components from flowers of Gymnema sylvestre. Volatile components of flowers of Gymnema sylvestre were extracted by water vapor distilling, and the components were separated and identified by GC-MS. 55 components were separated and 33 components were identified, accounting for 88.73% of all quantity. The principal volatile components are Phytol, Pentacosane, 10-Heneicosene (c, t), 3-Eicosene, (E) -and 2-Methyl-Z-2-docosane. The research can pro-vide scientific basis for chemical component research of flowers of Gymnema sylvestre.

Evaluation of Organic Aerosol Formation and Apportionment in a polluted Megacity

NASA Astrophysics Data System (ADS)

Tsimpidi, A. P.; Karydis, V. A.; Zavala, M.; Lei, W.; Decarlo, P. F.; Ulbrich, I.; Jimenez, J. L.; Molina, L. T.; Pandis, S. N.

2009-04-01

Pollution from megacities and large urban areas is important not only for local effects on health, visibility, and ecosystems but also because of their collective influence on atmospheric chemistry and radiative forcing in regional and global scale. Organic species account for a large fraction of the submicron aerosol mass at most megacities. Urban areas are large sources of organic aerosols and their precursors. Nevertheless, the contributions of primary (POA) and secondary organic aerosol (SOA) have been difficult to quantify. In this study, new primary and secondary organic aerosol modules were added to PMCAMx, a three dimensional chemical transport model (Gaydos et al., 2007). The new modeling framework is based on the volatility basis-set approach (Lane et al., 2007): both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The emission inventory is modified and the POA emissions are distributed by volatility based on dilution experiments (Robinson et al., 2007). PMCAMx is applied in the Mexico City Metropolitan Area during April 2003 and March 2006. The model predictions are compared with Aerodyne's Aerosol Mass Spectrometer (AMS) observations from the MCMA and MILAGRO campaigns respectively. Furthermore, the predicted concentrations over Mexico City are compared against measurements from a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS) which was onboard the NSF/NCAR C-130 aircraft as part of the MILAGRO field campaign (DeCarlo et al., 2008). The organic aerosol (OA) to CO ratio is used as an indicator in order to evaluate the photo-oxidation of the predicted OA after its horizontal and vertical advection. References Gaydos, T.M.; Pinder, R.W.; Koo, B.; Fahey, K.M.; Pandis, S.N., 2007. Development and application of a three-dimensional aerosol chemical transport model, PMCAMx. Atmospheric Environment 41, 2594-2611. Lane, T.E.; Donahue, N.M.; Pandis, S.N. 2008. Simulating Secondary Organic Aerosol Formation using the Votality Basis-Set Approach in a Chemical Transport Model, Atmospheric Environment 42, 7439-7451 Robinson, A.L.; Donahue, N.M.; Shrivastava, M.K.; Weitkamp, E.A.; Sage, A.M.; Grieshop, A.P.; Lane, T.E.; Pandis, S.N.; Pierce, J.R., 2007. Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259-1262. DeCarlo, P.F.; Dunlea, E.J., Kimmel,et al., 2008. Fast Airborne Aerosol Size and Chemistry Measurements with the High Resolution Aerosol Mass Spectrometer during the MILAGRO Campaign, Atmos. Chem. Phys., 8, 4027-4048.

The Two-Dimensional Gabor Function Adapted to Natural Image Statistics: A Model of Simple-Cell Receptive Fields and Sparse Structure in Images.

PubMed

Loxley, P N

2017-10-01

The two-dimensional Gabor function is adapted to natural image statistics, leading to a tractable probabilistic generative model that can be used to model simple cell receptive field profiles, or generate basis functions for sparse coding applications. Learning is found to be most pronounced in three Gabor function parameters representing the size and spatial frequency of the two-dimensional Gabor function and characterized by a nonuniform probability distribution with heavy tails. All three parameters are found to be strongly correlated, resulting in a basis of multiscale Gabor functions with similar aspect ratios and size-dependent spatial frequencies. A key finding is that the distribution of receptive-field sizes is scale invariant over a wide range of values, so there is no characteristic receptive field size selected by natural image statistics. The Gabor function aspect ratio is found to be approximately conserved by the learning rules and is therefore not well determined by natural image statistics. This allows for three distinct solutions: a basis of Gabor functions with sharp orientation resolution at the expense of spatial-frequency resolution, a basis of Gabor functions with sharp spatial-frequency resolution at the expense of orientation resolution, or a basis with unit aspect ratio. Arbitrary mixtures of all three cases are also possible. Two parameters controlling the shape of the marginal distributions in a probabilistic generative model fully account for all three solutions. The best-performing probabilistic generative model for sparse coding applications is found to be a gaussian copula with Pareto marginal probability density functions.

Surface representations of two- and three-dimensional fluid flow topology

NASA Technical Reports Server (NTRS)

Helman, James L.; Hesselink, Lambertus

1990-01-01

We discuss our work using critical point analysis to generate representations of the vector field topology of numerical flow data sets. Critical points are located and characterized in a two-dimensional domain, which may be either a two-dimensional flow field or the tangential velocity field near a three-dimensional body. Tangent curves are then integrated out along the principal directions of certain classes of critical points. The points and curves are linked to form a skeleton representing the two-dimensional vector field topology. When generated from the tangential velocity field near a body in a three-dimensional flow, the skeleton includes the critical points and curves which provide a basis for analyzing the three-dimensional structure of the flow separation. The points along the separation curves in the skeleton are used to start tangent curve integrations to generate surfaces representing the topology of the associated flow separations.

Documenting Surface and Sub-surface Volatiles While Drilling in Frozen Lunar Simulant

NASA Technical Reports Server (NTRS)

Roush, T. L.; Cook, A. M.; Colaprete, A.; Bielawski, R.; Fritzler, E.; Benton, J.; White, B.; Forgione, J.; Kleinhenz, J.; Smith, J.;

Volatile organic compounds in a residential and commercial urban area with a diesel, compressed natural gas and oxygenated gasoline vehicular fleet.

PubMed

Martins, Eduardo Monteiro; Arbilla, Graciela; Gatti, Luciana Vanni

2010-02-01

Air samples were collected in a typical residential and commercial area in Rio de Janeiro, Brazil, where buses and trucks use diesel and light duty vehicles use compressed natural gas, ethanol, and gasohol (gasoline blended with ethanol) as fuel. A total of 66 C3-C12 volatile organic compounds (VOCs) were identified. The most abundant compounds, on a mass concentration basis, included propane, isobutane, i-pentane, m,p-xylene, 1,3,5-trimethylbenzene, toluene, styrene, ethylbenzene, isopropylbenzene, o-xylene and 1,2,4-trimethylbenzene. Two VOCs photochemical reactivity rankings are presented: one involves reaction with OH and the other involves production of ozone.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2007-01-01

In this work, we present a new set of basis functions, de ned over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also de ned over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present a new set of basis functions, defined over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also defined over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

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.

Antimicrobial properties and mechanism of volatile isoamyl acetate, a main flavour component of Japanese sake (Ginjo-shu).

PubMed

Ando, H; Kurata, A; Kishimoto, N

2015-04-01

To evaluate the antimicrobial properties of the main Ginjo-flavour components of sake, volatile isoamyl acetate and isoamyl alcohol. Volatile isoamyl acetate and isoamyl alcohol both inhibited growth of the five yeast and 10 bacterial test strains. The minimum inhibitory dose and minimum bactericidal (fungicidal) dose of isoamyl acetate were higher than those of isoamyl alcohol. Escherichia coli and Acetobacter aceti were markedly sensitive to isoamyl acetate and isoamyl alcohol. In E. coli exposed to isoamyl acetate for 5 h, changes in expression were noted in proteins involved in sugar metabolism (MalE, MglB, TalB and PtsI), tricarboxylic acid cycle (AceA, Pfl and AcnB) and protein synthesis (EF-Tu, EF-G, and GlyS). Expression of acid and alcohol stress-response proteins was altered in E. coli exposed to isoamyl acetate. Esterase activity was detected in E. coli, suggesting that isoamyl acetate was hydrolyzed to acetic acid and isoamyl alcohol. Acetic acid and isoamyl alcohol damaged E. coli cell membranes and inactivated membrane proteins, impairing respiration. Volatile isoamyl acetate and isoamyl alcohol were effective in inactivating various micro-organisms, and antimicrobial mechanism of volatile isoamyl acetate against E. coli was clarified based on proteome analysis. To the best of our knowledge, this is the first report to examine the antimicrobial mechanism of volatile organic compound using proteome analysis combining two-dimensional difference gel electrophoresis with peptide mass fingerprinting. © 2015 The Society for Applied Microbiology.

Carbon nanomaterials for non-volatile memories

NASA Astrophysics Data System (ADS)

Ahn, Ethan C.; Wong, H.-S. Philip; Pop, Eric

2018-03-01

Carbon can create various low-dimensional nanostructures with remarkable electronic, optical, mechanical and thermal properties. These features make carbon nanomaterials especially interesting for next-generation memory and storage devices, such as resistive random access memory, phase-change memory, spin-transfer-torque magnetic random access memory and ferroelectric random access memory. Non-volatile memories greatly benefit from the use of carbon nanomaterials in terms of bit density and energy efficiency. In this Review, we discuss sp2-hybridized carbon-based low-dimensional nanostructures, such as fullerene, carbon nanotubes and graphene, in the context of non-volatile memory devices and architectures. Applications of carbon nanomaterials as memory electrodes, interfacial engineering layers, resistive-switching media, and scalable, high-performance memory selectors are investigated. Finally, we compare the different memory technologies in terms of writing energy and time, and highlight major challenges in the manufacturing, integration and understanding of the physical mechanisms and material properties.

A meshless method using radial basis functions for numerical solution of the two-dimensional KdV-Burgers equation

NASA Astrophysics Data System (ADS)

Zabihi, F.; Saffarian, M.

2016-07-01

The aim of this article is to obtain the numerical solution of the two-dimensional KdV-Burgers equation. We construct the solution by using a different approach, that is based on using collocation points. The solution is based on using the thin plate splines radial basis function, which builds an approximated solution with discretizing the time and the space to small steps. We use a predictor-corrector scheme to avoid solving the nonlinear system. The results of numerical experiments are compared with analytical solutions to confirm the accuracy and efficiency of the presented scheme.

Stereo Imaging Velocimetry

NASA Technical Reports Server (NTRS)

McDowell, Mark (Inventor); Glasgow, Thomas K. (Inventor)

1999-01-01

A system and a method for measuring three-dimensional velocities at a plurality of points in a fluid employing at least two cameras positioned approximately perpendicular to one another. The cameras are calibrated to accurately represent image coordinates in world coordinate system. The two-dimensional views of the cameras are recorded for image processing and centroid coordinate determination. Any overlapping particle clusters are decomposed into constituent centroids. The tracer particles are tracked on a two-dimensional basis and then stereo matched to obtain three-dimensional locations of the particles as a function of time so that velocities can be measured therefrom The stereo imaging velocimetry technique of the present invention provides a full-field. quantitative, three-dimensional map of any optically transparent fluid which is seeded with tracer particles.

Single-shot imaging with higher-dimensional encoding using magnetic field monitoring and concomitant field correction.

PubMed

Testud, Frederik; Gallichan, Daniel; Layton, Kelvin J; Barmet, Christoph; Welz, Anna M; Dewdney, Andrew; Cocosco, Chris A; Pruessmann, Klaas P; Hennig, Jürgen; Zaitsev, Maxim

2015-03-01

PatLoc (Parallel Imaging Technique using Localized Gradients) accelerates imaging and introduces a resolution variation across the field-of-view. Higher-dimensional encoding employs more spatial encoding magnetic fields (SEMs) than the corresponding image dimensionality requires, e.g. by applying two quadratic and two linear spatial encoding magnetic fields to reconstruct a 2D image. Images acquired with higher-dimensional single-shot trajectories can exhibit strong artifacts and geometric distortions. In this work, the source of these artifacts is analyzed and a reliable correction strategy is derived. A dynamic field camera was built for encoding field calibration. Concomitant fields of linear and nonlinear spatial encoding magnetic fields were analyzed. A combined basis consisting of spherical harmonics and concomitant terms was proposed and used for encoding field calibration and image reconstruction. A good agreement between the analytical solution for the concomitant fields and the magnetic field simulations of the custom-built PatLoc SEM coil was observed. Substantial image quality improvements were obtained using a dynamic field camera for encoding field calibration combined with the proposed combined basis. The importance of trajectory calibration for single-shot higher-dimensional encoding is demonstrated using the combined basis including spherical harmonics and concomitant terms, which treats the concomitant fields as an integral part of the encoding. © 2014 Wiley Periodicals, Inc.

Local Gram-Schmidt and covariant Lyapunov vectors and exponents for three harmonic oscillator problems

NASA Astrophysics Data System (ADS)

Hoover, Wm. G.; Hoover, Carol G.

2012-02-01

We compare the Gram-Schmidt and covariant phase-space-basis-vector descriptions for three time-reversible harmonic oscillator problems, in two, three, and four phase-space dimensions respectively. The two-dimensional problem can be solved analytically. The three-dimensional and four-dimensional problems studied here are simultaneously chaotic, time-reversible, and dissipative. Our treatment is intended to be pedagogical, for use in an updated version of our book on Time Reversibility, Computer Simulation, and Chaos. Comments are very welcome.

Two-dimensional mesh embedding for Galerkin B-spline methods

NASA Technical Reports Server (NTRS)

Shariff, Karim; Moser, Robert D.

1995-01-01

A number of advantages result from using B-splines as basis functions in a Galerkin method for solving partial differential equations. Among them are arbitrary order of accuracy and high resolution similar to that of compact schemes but without the aliasing error. This work develops another property, namely, the ability to treat semi-structured embedded or zonal meshes for two-dimensional geometries. This can drastically reduce the number of grid points in many applications. Both integer and non-integer refinement ratios are allowed. The report begins by developing an algorithm for choosing basis functions that yield the desired mesh resolution. These functions are suitable products of one-dimensional B-splines. Finally, test cases for linear scalar equations such as the Poisson and advection equation are presented. The scheme is conservative and has uniformly high order of accuracy throughout the domain.

Volatile communication in plant-aphid interactions.

PubMed

de Vos, Martin; Jander, Georg

2010-08-01

Volatile communication plays an important role in mediating the interactions between plants, aphids, and other organisms in the environment. In response to aphid infestation, many plants initiate indirect defenses through the release of volatiles that attract ladybugs, parasitoid wasps, and other aphid-consuming predators. Aphid-induced volatile release in the model plant Arabidopsis thaliana requires the jasmonate signaling pathway. Volatile release is also induced by infection with aphid-transmitted viruses. Consistent with mathematical models of optimal transmission, viruses that are acquired rapidly by aphids induce volatile release to attract migratory aphids, but discourage long-term aphid feeding. Although the ecology of these interactions is well-studied, further research is needed to identify the molecular basis of aphid-induced and virus-induced changes in plant volatile release. Copyright 2010 Elsevier Ltd. All rights reserved.

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.

Response of predatory mites to a herbivore-induced plant volatile: genetic variation for context-dependent behaviour.

PubMed

Sznajder, Beata; Sabelis, Maurice W; Egas, Martijn

2010-07-01

Plants infested with herbivores release specific volatile compounds that are known to recruit natural enemies. The response of natural enemies to these volatiles may be either learned or genetically determined. We asked whether there is genetic variation in the response of the predatory mite Phytoseiulus persimilis to methyl salicylate (MeSa). MeSa is a volatile compound consistently produced by plants being attacked by the two-spotted spider mite, the prey of P. persimilis. We predicted that predators express genetically determined responses during long-distance migration where previously learned associations may have less value. Additionally, we asked whether these responses depend on odors from uninfested plants as a background to MeSa. To infer a genetic basis, we analyzed the variation in response to MeSa among iso-female lines of P. persimilis by using choice-tests that involved either (1) MeSa presented as a single compound or (2) MeSa with background-odor from uninfested lima bean plants. These tests were conducted for starved and satiated predators, i.e., two physiological states, one that approximates migration and another that mimics local patch exploration. We found variation among iso-female lines in the responses to MeSa, thus showing genetic variation for this behavior. The variation was more pronounced in the starved predators, thus indicating that P. persimilis relies on innate preferences when migrating. Background volatiles of uninfested plants changed the predators' responses to MeSa in a manner that depended on physiological state and iso-female line. Thus, it is possible to select for context-dependent behavioral responses of natural enemies to plant volatiles.

Response of Predatory Mites to a Herbivore-Induced Plant Volatile: Genetic Variation for Context-Dependent Behaviour

PubMed Central

Sabelis, Maurice W.; Egas, Martijn

2010-01-01

Plants infested with herbivores release specific volatile compounds that are known to recruit natural enemies. The response of natural enemies to these volatiles may be either learned or genetically determined. We asked whether there is genetic variation in the response of the predatory mite Phytoseiulus persimilis to methyl salicylate (MeSa). MeSa is a volatile compound consistently produced by plants being attacked by the two-spotted spider mite, the prey of P. persimilis. We predicted that predators express genetically determined responses during long-distance migration where previously learned associations may have less value. Additionally, we asked whether these responses depend on odors from uninfested plants as a background to MeSa. To infer a genetic basis, we analyzed the variation in response to MeSa among iso-female lines of P. persimilis by using choice-tests that involved either (1) MeSa presented as a single compound or (2) MeSa with background-odor from uninfested lima bean plants. These tests were conducted for starved and satiated predators, i.e., two physiological states, one that approximates migration and another that mimics local patch exploration. We found variation among iso-female lines in the responses to MeSa, thus showing genetic variation for this behavior. The variation was more pronounced in the starved predators, thus indicating that P. persimilis relies on innate preferences when migrating. Background volatiles of uninfested plants changed the predators’ responses to MeSa in a manner that depended on physiological state and iso-female line. Thus, it is possible to select for context-dependent behavioral responses of natural enemies to plant volatiles. PMID:20574785

Simulating the influence of groundwater table fluctuation on vapor intrusion

NASA Astrophysics Data System (ADS)

Huo, J.

2017-12-01

The migration of volatile chemicals from groundwater to an overlying building is a commonly existing phenomenon around the world. Due to the distinction of hydrologic conditions among vapor intrusion sites, it is necessary to consider the effect of dominant hydrologic factors in order to obtain a precise site evaluation and a health risk assessment during the screening process. This study mainly discusses the impact of groundwater table fluctuation and other hydrological factors including porosity, permeability and soil moisture on the vapor intrusion transport. A two-dimensional model is configured to inject different typical volatile organic contaminants from EPA's Vapor Intrusion Database. Through quantifying the contaminant vapor concentration attenuation factors under the effect of groundwater table fluctuation, this study provides suggestions for indoor air sample and vapor intrusion assessment.

Numerical simulation of the baking of porous anode carbon in a vertical flue ring furnace

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

Jacobsen, M.; Melaaen, M.C.

The interaction of pitch pyrolysis in porous anode carbon during heating and volatiles combustion in the flue gas channel has been analyzed to gain insight in the anode baking process. A two-dimensional geometry of a flue gas channel adjacent to a porous flue gas wall, packing coke, and an anode was used for studying the effect of heating rate on temperature gradients and internal gas pressure in the anodes. The mathematical model included porous heat and mass transfer, pitch pyrolysis, combustion of volatiles, radiation, and turbulent channel flow. The mathematical model was developed through source code modification of the computationalmore » fluid dynamics code FLUENT. The model was useful for studying the effects of heating rate, geometry, and anode properties.« less

Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution

PubMed Central

Feng, Xiao-Liang; He, Yun-biao; Liang, Yi-Zeng; Wang, Yu-Lin; Huang, Lan-Fang; Xie, Jian-Wei

2013-01-01

Gas chromatography-mass spectrometry and multivariate curve resolution were applied to the differential analysis of the volatile components in Agrimonia eupatoria specimens from different plant parts. After extracted with water distillation method, the volatile components in Agrimonia eupatoria from leaves and roots were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in the main root of Agrimonia eupatoria was completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. 68 of 87 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 87.03% of the total content. Then, the common peaks in leaf were extracted with orthogonal projection resolution method. Among the components determined, there were 52 components coexisting in the studied samples although the relative content of each component showed difference to some extent. The results showed a fair consistency in their GC-MS fingerprint. It was the first time to apply orthogonal projection method to compare different plant parts of Agrimonia eupatoria, and it reduced the burden of qualitative analysis as well as the subjectivity. The obtained results proved the combined approach powerful for the analysis of complex Agrimonia eupatoria samples. The developed method can be used to further study and quality control of Agrimonia eupatoria. PMID:24286016

Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution.

PubMed

Feng, Xiao-Liang; He, Yun-Biao; Liang, Yi-Zeng; Wang, Yu-Lin; Huang, Lan-Fang; Xie, Jian-Wei

2013-01-01

Gas chromatography-mass spectrometry and multivariate curve resolution were applied to the differential analysis of the volatile components in Agrimonia eupatoria specimens from different plant parts. After extracted with water distillation method, the volatile components in Agrimonia eupatoria from leaves and roots were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in the main root of Agrimonia eupatoria was completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. 68 of 87 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 87.03% of the total content. Then, the common peaks in leaf were extracted with orthogonal projection resolution method. Among the components determined, there were 52 components coexisting in the studied samples although the relative content of each component showed difference to some extent. The results showed a fair consistency in their GC-MS fingerprint. It was the first time to apply orthogonal projection method to compare different plant parts of Agrimonia eupatoria, and it reduced the burden of qualitative analysis as well as the subjectivity. The obtained results proved the combined approach powerful for the analysis of complex Agrimonia eupatoria samples. The developed method can be used to further study and quality control of Agrimonia eupatoria.

Interplay between past market correlation structure changes and future volatility outbursts.

PubMed

Musmeci, Nicoló; Aste, Tomaso; Di Matteo, T

2016-11-18

We report significant relations between past changes in the market correlation structure and future changes in the market volatility. This relation is made evident by using a measure of "correlation structure persistence" on correlation-based information filtering networks that quantifies the rate of change of the market dependence structure. We also measured changes in the correlation structure by means of a "metacorrelation" that measures a lagged correlation between correlation matrices computed over different time windows. Both methods show a deep interplay between past changes in correlation structure and future changes in volatility and we demonstrate they can anticipate market risk variations and this can be used to better forecast portfolio risk. Notably, these methods overcome the curse of dimensionality that limits the applicability of traditional econometric tools to portfolios made of a large number of assets. We report on forecasting performances and statistical significance of both methods for two different equity datasets. We also identify an optimal region of parameters in terms of True Positive and False Positive trade-off, through a ROC curve analysis. We find that this forecasting method is robust and it outperforms logistic regression predictors based on past volatility only. Moreover the temporal analysis indicates that methods based on correlation structural persistence are able to adapt to abrupt changes in the market, such as financial crises, more rapidly than methods based on past volatility.

Interplay between past market correlation structure changes and future volatility outbursts

NASA Astrophysics Data System (ADS)

Musmeci, Nicoló; Aste, Tomaso; Di Matteo, T.

2016-11-01

We report significant relations between past changes in the market correlation structure and future changes in the market volatility. This relation is made evident by using a measure of “correlation structure persistence” on correlation-based information filtering networks that quantifies the rate of change of the market dependence structure. We also measured changes in the correlation structure by means of a “metacorrelation” that measures a lagged correlation between correlation matrices computed over different time windows. Both methods show a deep interplay between past changes in correlation structure and future changes in volatility and we demonstrate they can anticipate market risk variations and this can be used to better forecast portfolio risk. Notably, these methods overcome the curse of dimensionality that limits the applicability of traditional econometric tools to portfolios made of a large number of assets. We report on forecasting performances and statistical significance of both methods for two different equity datasets. We also identify an optimal region of parameters in terms of True Positive and False Positive trade-off, through a ROC curve analysis. We find that this forecasting method is robust and it outperforms logistic regression predictors based on past volatility only. Moreover the temporal analysis indicates that methods based on correlation structural persistence are able to adapt to abrupt changes in the market, such as financial crises, more rapidly than methods based on past volatility.

Interplay between past market correlation structure changes and future volatility outbursts

PubMed Central

Musmeci, Nicoló; Aste, Tomaso; Di Matteo, T.

2016-01-01

We report significant relations between past changes in the market correlation structure and future changes in the market volatility. This relation is made evident by using a measure of “correlation structure persistence” on correlation-based information filtering networks that quantifies the rate of change of the market dependence structure. We also measured changes in the correlation structure by means of a “metacorrelation” that measures a lagged correlation between correlation matrices computed over different time windows. Both methods show a deep interplay between past changes in correlation structure and future changes in volatility and we demonstrate they can anticipate market risk variations and this can be used to better forecast portfolio risk. Notably, these methods overcome the curse of dimensionality that limits the applicability of traditional econometric tools to portfolios made of a large number of assets. We report on forecasting performances and statistical significance of both methods for two different equity datasets. We also identify an optimal region of parameters in terms of True Positive and False Positive trade-off, through a ROC curve analysis. We find that this forecasting method is robust and it outperforms logistic regression predictors based on past volatility only. Moreover the temporal analysis indicates that methods based on correlation structural persistence are able to adapt to abrupt changes in the market, such as financial crises, more rapidly than methods based on past volatility. PMID:27857144

Combustion monitoring of a water tube boiler using a discriminant radial basis network.

PubMed

Sujatha, K; Pappa, N

2011-01-01

This research work includes a combination of Fisher's linear discriminant (FLD) analysis and a radial basis network (RBN) for monitoring the combustion conditions for a coal fired boiler so as to allow control of the air/fuel ratio. For this, two-dimensional flame images are required, which were captured with a CCD camera; the features of the images-average intensity, area, brightness and orientation etc of the flame-are extracted after preprocessing the images. The FLD is applied to reduce the n-dimensional feature size to a two-dimensional feature size for faster learning of the RBN. Also, three classes of images corresponding to different burning conditions of the flames have been extracted from continuous video processing. In this, the corresponding temperatures, and the carbon monoxide (CO) emissions and those of other flue gases have been obtained through measurement. Further, the training and testing of Fisher's linear discriminant radial basis network (FLDRBN), with the data collected, have been carried out and the performance of the algorithms is presented. Copyright © 2010 ISA. Published by Elsevier Ltd. All rights reserved.

[Study on chemical constituents of volatile oil from rhizomes and leaves of Pileostegia viburnoides var. glabrescens by GC-MS].

PubMed

Zou, Ju-Ying; Chen, Sheng-Huang; Li, Qin-Wen; Chen, Han-Jun; Liu, Bei-Bei; Du, Fan

2012-04-01

To analyze the chemical constituents of volatile oil from the rhizomes and leaves of Pileostegia viburnoides var. glabrescens by GC-MS. The volatile oil was extracted from the rhizomes and leaves of Pileostegia viburnoides var. glabrescens by steam distillation. The constituents of volatile oil were identified by GC-MS technology. 37 compounds were identified from the oil of rhizomes. 36 compounds were identified from the oil of leaves. The rhizomes and leaves volatile oil had 18 compounds in common. This study is the first one to report the volatile components of Pileostegia viburnoides var. glabrescens. It can provide a scientific basis for rational use of the rhizomes and leaves of Pileostegia viburnoides var. glabrescens.

VOLATILE ORGANIC COMPOUND DETERMINATIONS USING SURROGATE-BASED CORRECTION FOR METHOD AND MATRIX EFFECTS

EPA Science Inventory

The principal properties related to analyte recovery in a vacuum distillate are boiling point and relative volatility. The basis for selecting compounds to measure the relationship between these properties and recovery for a vacuum distillation is presented. Surrogates are incorp...

Characterization of aroma compounds in apple cider using solvent-assisted flavor evaporation and headspace solid-phase microextraction.

PubMed

Xu, Yan; Fan, Wenlai; Qian, Michael C

2007-04-18

The aroma-active compounds in two apple ciders were identified using gas chromatography-olfactometry (GC-O) and GC-mass spectrometry (MS) techniques. The volatile compounds were extracted using solvent-assisted flavor evaporation (SAFE) and headspace solid-phase microextraction (HS-SPME). On the basis of odor intensity, the most important aroma compounds in the two apple cider samples were 2-phenylethanol, butanoic acid, octanoic acid, 2-methylbutanoic acid, 2-phenylethyl acetate, ethyl 2-methylbutanoate, ethyl butanoate, ethyl hexanoate, 4-ethylguaiacol, eugenol, and 4-vinylphenol. Sulfur-containing compounds, terpene derivatives, and lactones were also detected in ciders. Although most of the aroma compounds were common in both ciders, the aroma intensities were different. Comparison of extraction techniques showed that the SAFE technique had a higher recovery for acids and hydroxy-containing compounds, whereas the HS-SPME technique had a higher recovery for esters and highly volatile compounds.

Modelling and prediction for chaotic fir laser attractor using rational function neural network.

PubMed

Cho, S

2001-02-01

Many real-world systems such as irregular ECG signal, volatility of currency exchange rate and heated fluid reaction exhibit highly complex nonlinear characteristic known as chaos. These chaotic systems cannot be retreated satisfactorily using linear system theory due to its high dimensionality and irregularity. This research focuses on prediction and modelling of chaotic FIR (Far InfraRed) laser system for which the underlying equations are not given. This paper proposed a method for prediction and modelling a chaotic FIR laser time series using rational function neural network. Three network architectures, TDNN (Time Delayed Neural Network), RBF (radial basis function) network and the RF (rational function) network, are also presented. Comparisons between these networks performance show the improvements introduced by the RF network in terms of a decrement in network complexity and better ability of predictability.

The vortex street as a statistical-mechanical phenomenon

NASA Technical Reports Server (NTRS)

Montgomery, D.

1974-01-01

An explanation of the Karman vortex street is presented on the basis of the two-temperature canonical distribution for inviscid two-dimensional flows in Navier-Stokes fluids or guiding-center plasmas.

Electroantennographic and behavioral responses of the sphinx moth Manduca sexta to host plant headspace volatiles.

PubMed

Fraser, Ann M; Mechaber, Wendy L; Hildebrand, John G

2003-08-01

Coupled gas chromatography with electroantennographic detection (GC-EAD) using antennae of adult female Manduca sexta was employed to screen for olfactory stimulants present in headspace collections from four species of larval host plants belonging to two families: Solanaceae--Lycopersicon esculentum (tomato), Capiscum annuum (bell pepper), and Datura wrightii; and Martyniaceae--Pronboscideaparviflora. Headspace volatiles were collected from undamaged foliage of potted, living plants. GC-EAD revealed 23 EAD-active compounds, of which 15 were identified by GC-mass spectrometry. Identified compounds included aliphatic, aromatic, and terpenoid compounds bearing a range of functional groups. Nine EAD-active compounds were common to all four host plant species: (Z)-3-hexenyl acetate, nonanal, decanal, phenylacetaldehyde, methyl salicylate, benzyl alcohol, geranyl acetone, (E)-nerolidol, and one unidentified compound. Behavioral responses of female moths to an eight-component synthetic blend of selected tomato headspace volatiles were tested in a laboratory wind tunnel. Females were attracted to the blend. A comparison of responses from antennae of males and females to bell pepper headspace volatiles revealed that males responded to the same suite of volatiles as females, except for (Z)-3-hexenyl benzoate. EAD responses of males also were lower for (Z)-and (E)-nerolidol and one unidentified compound. Electroantennogram EAG dose-response curves for the 15 identified EAD-active volatiles were recorded. At the higher test doses (10-100 microg), female antennae yielded larger EAG responses to terpenoids and to aliphatic and aromatic esters. Male antennae did respond to the higher doses of (Z)-3-hexenyl benzoate, indicating that they can detect this compound. On the basis of ubiquity of the EAD-active volatiles identified to date in host plant headspace collections, we suggest that M. sexta uses a suite of volatiles to locate and identify appropriate host plants.

Characteristics of volatile organic compounds produced from five pathogenic bacteria by headspace-solid phase micro-extraction/gas chromatography-mass spectrometry.

PubMed

Chen, Juan; Tang, Junni; Shi, Hui; Tang, Cheng; Zhang, Rong

2017-03-01

The characteristics of volatile compounds from five different bacterial species, Escherichia coli O157:H7, Salmonella Enteritidis, Shigella flexneri, Staphylococcus aureus, and Listeria monocytogenes, growing, respectively, in trypticase soy broth were monitored by headspace solid-phase micro-extraction/gas chromatography-mass spectrometry. The results showed that most volatile organic compounds (VOCs) of five pathogens started to increase after the sixth to tenth hour. Methyl ketones and long chain alcohols were representative volatiles for three Gram-negative bacteria. The especially high production of indole was characterized to E. coli O157:H7. The production of 3-hydroxy-2-butanone was indicative of the presence of two Gram-positive bacteria. Both 3-methyl-butanoic acid and 3-methyl-butanal were unique biomarkers for S. aureus. The population dynamics of individual pathogen could be monitored using the accumulation of VOCs correlated with its growth. And these five pathogens could be distinguishable though principle component analysis of 18 volatile metabolites. Moreover, the mixed culture of S. aureus and E. coli O157:H7 was also investigated. The levels of 3-methyl-butanal and 3-methyl-butanoic acid were largely reduced; while the level of indole almost unchanged and correlated with E. coli O157:H7 growth very well. The characteristics of volatiles from the five foodborne pathogens could lay a fundamental basis for further research into pathogen contamination control by detecting volatile signatures of pathogens. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of a Two-Dimensional Thermal Cloaking Problem on the Basis of Optimization

NASA Astrophysics Data System (ADS)

Alekseev, G. V.

2018-04-01

For a two-dimensional model of thermal scattering, inverse problems arising in the development of tools for cloaking material bodies on the basis of a mixed thermal cloaking strategy are considered. By applying the optimization approach, these problems are reduced to optimization ones in which the role of controls is played by variable parameters of the medium occupying the cloaking shell and by the heat flux through a boundary segment of the basic domain. The solvability of the direct and optimization problems is proved, and an optimality system is derived. Based on its analysis, sufficient conditions on the input data are established that ensure the uniqueness and stability of optimal solutions.

Melting and reactive flow of a volatilized mantle beneath mid-ocean ridges: theory and numerical models

NASA Astrophysics Data System (ADS)

Keller, Tobias; Katz, Richard F.

2015-04-01

Laboratory experiments indicate that even small concentrations volatiles (H2O or CO2) in the upper mantle significantly affect the silicate melting behavior [HK96,DH06]. The presence of volatiles stabilizes volatile-rich melt at high pressure, thus vastly increasing the volume of the upper mantle expected to be partially molten [H10,DH10]. These small-degree melts have important consequences for chemical differentiation and could affect the dynamics of mantle flow. We have developed theory and numerical implementation to simulate thermo-chemically coupled magma/mantle dynamics in terms of a two-phase (rock+melt), three component (dunite+MORB+volatilized MORB) physical model. The fluid dynamics is based on McKenzie's equations [McK84], while the thermo-chemical formulation of the system is represented by a novel disequilibrium multi-component melting model based on thermo-dynamic theory [RBS11]. This physical model is implemented as a parallel, two-dimensional, finite-volume code that leverages tools from the PETSc toolkit. Application of this simulation code to a mid-ocean ridge system suggests that the methodology captures the leading-order features of both hydrated and carbonated mantle melting, including deep, low-degree, volatile-rich melt formation. Melt segregation leads to continuous dynamic thermo-chemical dis-equilibration, while phenomenological reaction rates are applied to continually move the system towards re-equilibration. The simulations will be used first to characterize volatile extraction from the MOR system assuming a chemically homogeneous mantle. Subsequently, simulations will be extended to investigate the consequences of heterogeneity in lithology [KW12] and volatile content. These studies will advance our understanding of the role of volatiles in the dynamic and chemical evolution of the upper mantle. Moreover, they will help to gauge the significance of the coupling between the deep carbon cycle and the ocean/atmosphere system. REFERENCES HK96 Hirth & Kohlstedt (1996), Earth Planet Sci Lett DH06 Dasgupta & Hirschmann (2006), doi:10.1038/nature04612. H10 Hirschmann (2010), doi:10.1016/j.pepi.2009.12.003. DH10 Dasgupta & Hirschmann (2010), doi:10.1016/j.epsl.2010.06.039. McK84 McKenzie (1984), J Pet KW12 Katz & Weatherley (2012), doi: 10.1016/j.epsl.2012.04.042. RBS11 Rudge, Bercovici & Spiegelman (2011), doi: 10.1111/j.1365-246X.2010.04870.x

Coherent States for the Two-Dimensional Dirac-Moshinsky Oscillator Coupled to an External Magnetic Field

NASA Astrophysics Data System (ADS)

Ojeda-Guillén, D.; Mota, R. D.; Granados, V. D.

2015-03-01

We show that the (2+1)-dimensional Dirac-Moshinsky oscillator coupled to an external magnetic field can be treated algebraically with the SU(1,1) group theory and its group basis. We use the su(1,1) irreducible representation theory to find the energy spectrum and the eigenfunctions. Also, with the su(1,1) group basis we construct the relativistic coherent states in a closed form for this problem. Supported by SNI-México, COFAA-IPN, EDI-IPN, EDD-IPN, SIP-IPN project number 20140598

Genome-wide association study unravels the genetic control of the apple volatilome and its interplay with fruit texture.

PubMed

Farneti, Brian; Di Guardo, Mario; Khomenko, Iuliia; Cappellin, Luca; Biasioli, Franco; Velasco, Riccardo; Costa, Fabrizio

2017-03-01

Fruit quality represents a fundamental factor guiding consumers' preferences. Among apple quality traits, volatile organic compounds and texture features play a major role. Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS), coupled with an artificial chewing device, was used to profile the entire apple volatilome of 162 apple accessions, while the fruit texture was dissected with a TAXT-AED texture analyzer. The array of volatile compounds was classed into seven major groups and used in a genome-wide association analysis carried out with 9142 single nucleotide polymorphisms (SNPs). Marker-trait associations were identified on seven chromosomes co-locating with important candidate genes for aroma, such as MdAAT1 and MdIGS. The integration of volatilome and fruit texture data conducted with a multiple factor analysis unraveled contrasting behavior, underlying opposite regulation of the two fruit quality aspects. The association analysis using the first two principal components identified two QTLs located on chromosomes 10 and 2, respectively. The distinction of the apple accessions on the basis of the allelic configuration of two functional markers, MdPG1 and MdACO1, shed light on the type of interplay existing between fruit texture and the production of volatile organic compounds. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology.

Detection of volatile organic compounds by surface enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Chang, Allan S. P.; Maiti, Amitesh; Ileri, Nazar; Bora, Mihail; Larson, Cindy C.; Britten, Jerald A.; Bond, Tiziana C.

2012-06-01

We present the detection of volatile organic compounds directly in their vapor phase by surface-enhanced Raman scattering (SERS) substrates based on lithographically-defined two-dimensional rectangular array of nanopillars. The type of nanopillars is known as the tapered pillars. For the tapered pillars, SERS enhancement arises from the nanofocusing effect due to the sharp tip on top. SERS experiments were carried out on these substrates using various concentrations of toluene vapor. The results show that SERS signal from a toluene vapor is strongly influenced by the substrate temperature, and the toluene vapor can be detected within minutes of exposing the SERS substrate to the vapor. A simple adsorption model is developed which gives results matching the experimental data. The results also show promising potential for the use of these substrates in environmental monitoring of gases and vapors.

Possibilities and limitations of current stereo-endoscopy.

PubMed

Mueller-Richter, U D A; Limberger, A; Weber, P; Ruprecht, K W; Spitzer, W; Schilling, M

2004-06-01

Stereo-endoscopy has become a commonly used technology. In many comparative studies striking advantages of stereo-endoscopy over two-dimensional presentation could not be proven. To show the potential and fields for further improvement of this technology is the aim of this article. The physiological basis of three-dimensional vision limitations of current stereo-endoscopes is discussed and fields for further research are indicated. New developments in spatial picture acquisition and spatial picture presentation are discussed. Current limitations of stereo-endoscopy that prevent a better ranking in comparative studies with two-dimensional presentation are mainly based on insufficient picture acquisition. Devices for three-dimensional picture presentation are at a more advanced developmental stage than devices for three-dimensional picture acquisition. Further research should emphasize the development of new devices for three-dimensional picture acquisition.

Flavor characteristics of seven grades of black tea produced in Turkey.

PubMed

Alasalvar, Cesarettin; Topal, Bahar; Serpen, Arda; Bahar, Banu; Pelvan, Ebru; Gökmen, Vural

2012-06-27

Seven grades of black tea [high-quality black tea (grades 1-3) and low-quality black tea (grades 4-7)], processed by ÇAYKUR Tea Processing Plant (Rize, Turkey), were compared for their differences in descriptive sensory analysis (DSA), aroma-active compounds (volatile compounds), and taste-active compounds (sugar, organic acid, and free amino acid compositions). Ten flavor attributes such as 'after taste', 'astringency', 'bitter', 'caramel-like', 'floral/sweet', 'green/grassy', 'hay-like', 'malty', 'roasty', and 'seaweed' were identified. Intensities for a number of flavor attributes ('after taste', 'caramel-like', 'malty', and 'seaweed') were not significantly different (p > 0.05) among seven grades of black tea. A total of 57 compounds in seven grades of black tea (14 aldehydes, eight alcohols, eight ketones, two esters, four aromatic hydrocarbons, five aliphatic hydrocarbons, nine terpenes, two pyrazines, one furan, two acids, and two miscellaneous compounds) were tentatively identified. Of these, aldeyhdes comprised more than 50% to the total volatile compounds identified. In general, high-grade quality tea had more volatiles than low-grade quality tea. With respect to taste-active compounds, five sugars, six organic acids, and 18 free amino acids were positively identified in seven grades of black tea, of which fructose, tannic acid, and theanine predominated, respectively. Some variations (p < 0.05), albeit to different extents, were observed among volatile compounds, sugars, organic acids, and free amino acids in seven grades of black tea. The present study suggests that a certain flavor attributes correlate well with taste- and aroma-active compounds. High- and low-quality black teas should not be distinguished solely on the basis of their DSA and taste- and aroma-active compounds. The combination of taste-active compounds together with aroma-active compounds renders combination effects that provide the characteristic flavor of each grade of black tea.

LETTER TO THE EDITOR: Two-centre exchange integrals for complex exponent Slater orbitals

NASA Astrophysics Data System (ADS)

Kuang, Jiyun; Lin, C. D.

1996-12-01

The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form 0953-4075/29/24/005/img1 is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions.

Price Formation Based on Particle-Cluster Aggregation

NASA Astrophysics Data System (ADS)

Wang, Shijun; Zhang, Changshui

In the present work, we propose a microscopic model of financial markets based on particle-cluster aggregation on a two-dimensional small-world information network in order to simulate the dynamics of the stock markets. "Stylized facts" of the financial market time series, such as fat-tail distribution of returns, volatility clustering and multifractality, are observed in the model. The results of the model agree with empirical data taken from historical records of the daily closures of the NYSE composite index.

Effects of chlorine on the volatilization of heavy metals during the co-combustion of sewage sludge.

PubMed

Yu, Shengrong; Zhang, Bin; Wei, Jiangxiong; Zhang, Tongsheng; Yu, Qijun; Zhang, Wensheng

2017-04-01

To clarify the volatilization of heavy metals (Cu, Ni, Pb, and Zn) in sewage sludge during co-combustion in cement kiln, effects of addition and types of four chlorides and temperature on the volatilization of heavy metals in raw meal with 25wt.% sewage sludge were investigated. The results showed that the volatilization of Cu, Ni, and Pb increased significantly with increase of chlorides addition, while no obvious change in the volatilization of Zn was observed. The effectiveness of chlorides on the volatilization of heavy metals depended on their release capacity of chlorine radicals and the chlorine combined capacity of heavy metals. Higher calcination temperature resulted in dramatically increase in the volatilization of heavy metals due to easier formation of volatile heavy metal chlorides. The results will provide a guideline for co-combusting heavy metals contained solid wastes in cement kiln on the basis of security. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sensitivity analysis of simulated SOA loadings using a variance-based statistical approach: SENSITIVITY ANALYSIS OF SOA

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

Shrivastava, Manish; Zhao, Chun; Easter, Richard C.

We investigate the sensitivity of secondary organic aerosol (SOA) loadings simulated by a regional chemical transport model to 7 selected tunable model parameters: 4 involving emissions of anthropogenic and biogenic volatile organic compounds, anthropogenic semi-volatile and intermediate volatility organics (SIVOCs), and NOx, 2 involving dry deposition of SOA precursor gases, and one involving particle-phase transformation of SOA to low volatility. We adopt a quasi-Monte Carlo sampling approach to effectively sample the high-dimensional parameter space, and perform a 250 member ensemble of simulations using a regional model, accounting for some of the latest advances in SOA treatments based on our recentmore » work. We then conduct a variance-based sensitivity analysis using the generalized linear model method to study the responses of simulated SOA loadings to the tunable parameters. Analysis of SOA variance from all 250 simulations shows that the volatility transformation parameter, which controls whether particle-phase transformation of SOA from semi-volatile SOA to non-volatile is on or off, is the dominant contributor to variance of simulated surface-level daytime SOA (65% domain average contribution). We also split the simulations into 2 subsets of 125 each, depending on whether the volatility transformation is turned on/off. For each subset, the SOA variances are dominated by the parameters involving biogenic VOC and anthropogenic SIVOC emissions. Furthermore, biogenic VOC emissions have a larger contribution to SOA variance when the SOA transformation to non-volatile is on, while anthropogenic SIVOC emissions have a larger contribution when the transformation is off. NOx contributes less than 4.3% to SOA variance, and this low contribution is mainly attributed to dominance of intermediate to high NOx conditions throughout the simulated domain. The two parameters related to dry deposition of SOA precursor gases also have very low contributions to SOA variance. This study highlights the large sensitivity of SOA loadings to the particle-phase transformation of SOA volatility, which is neglected in most previous models.« less

Model development and evaluation of methane potential from anaerobic co-digestion of municipal wastewater sludge and un-dewatered grease trap waste.

PubMed

Yalcinkaya, Sedat; Malina, Joseph F

2015-06-01

The performance of anaerobic co-digestion of municipal wastewater sludge with un-dewatered grease trap waste was assessed using modified biochemical methane potential tests under mesophilic conditions (35°C). Methane potentials, process inhibition and chemical behavior of the process were analyzed at different grease trap waste feed ratios on volatile solids basis. Nonlinear regression analyses of first order reaction and modified Gompertz equations were performed to assist in interpretation of the experimental results. Methane potential of un-dewatered grease trap waste was measured as 606 mL CH4/g VS(added), while methane potential of municipal wastewater sludge was only 223 mL CH4/g VS(added). The results indicated that anaerobic digestion of grease trap waste without dewatering yields less methane potential than concentrated/dewatered grease trap waste because of high wastewater content of un-dewatered grease trap waste. However, anaerobic co-digestion of municipal wastewater sludge and grease trap waste still yields over two times more methane potential and approximately 10% more volatile solids reduction than digestion of municipal wastewater sludge alone. The anaerobic co-digestion process inhibitions were reported at 70% and greater concentrated/dewatered grease trap waste additions on volatile solids basis in previous studies; however, no inhibition was observed at 100% un-dewatered grease trap waste digestion in the present study. These results indicate that anaerobic co-digestion of un-dewatered grease trap waste may reduce the inhibition risk compared to anaerobic co-digestion of concentrated/dewatered grease trap waste. In addition, a mathematical model was developed in this study for the first time to describe the relationship between grease trap waste feed ratio on volatile solids basis and resulting methane potential. Experimental data from the current study as well as previous biochemical methane potential studies were successfully fit to this relationship and allowed estimation of key performance parameters that provide additional insight into the factors affecting biochemical methane potential. Copyright © 2015 Elsevier Ltd. All rights reserved.

A coherent discrete variable representation method on a sphere

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

Yu, Hua -Gen

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

A coherent discrete variable representation method on a sphere

DOE PAGES

Yu, Hua -Gen

2017-09-05

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

High performance top-gated ferroelectric field effect transistors based on two-dimensional ZnO nanosheets

NASA Astrophysics Data System (ADS)

Tian, Hongzheng; Wang, Xudong; Zhu, Yuankun; Liao, Lei; Wang, Xianying; Wang, Jianlu; Hu, Weida

2017-01-01

High quality ultrathin two-dimensional zinc oxide (ZnO) nanosheets (NSs) are synthesized, and the ZnO NS ferroelectric field effect transistors (FeFETs) are demonstrated based on the P(VDF-TrFE) polymer film used as the top gate insulating layer. The ZnO NSs exhibit a maximum field effect mobility of 588.9 cm2/Vs and a large transconductance of 2.5 μS due to their high crystalline quality and ultrathin two-dimensional structure. The polarization property of the P(VDF-TrFE) film is studied, and a remnant polarization of >100 μC/cm2 is achieved with a P(VDF-TrFE) thickness of 300 nm. Because of the ultrahigh remnant polarization field generated in the P(VDF-TrFE) film, the FeFETs show a large memory window of 16.9 V and a high source-drain on/off current ratio of more than 107 at zero gate voltage and a source-drain bias of 0.1 V. Furthermore, a retention time of >3000 s of the polarization state is obtained, inspiring a promising candidate for applications in data storage with non-volatile features.

Storage temperature and time influences sensory quality of mandarin oranges by altering soluble solids, acidity and aroma volatile composition

USDA-ARS?s Scientific Manuscript database

Mandarin oranges are very prone to losing flavor quality during storage and, as a result, often have a short shelf life. To better understand the basis of this flavor loss, two mandarin varieties (‘W. Murcott’ and ‘Owari’) were stored for 0, 3 and 6 weeks at either 0 °C, 4 °C, or 8 °C plus 1 week at...

Two-dimensional molybdenum disulphide nanosheet-covered metal nanoparticle array as a floating gate in multi-functional flash memories

NASA Astrophysics Data System (ADS)

Han, Su-Ting; Zhou, Ye; Chen, Bo; Zhou, Li; Yan, Yan; Zhang, Hua; Roy, V. A. L.

2015-10-01

Semiconducting two-dimensional materials appear to be excellent candidates for non-volatile memory applications. However, the limited controllability of charge trapping behaviors and the lack of multi-bit storage studies in two-dimensional based memory devices require further improvement for realistic applications. Here, we report a flash memory consisting of metal NPs-molybdenum disulphide (MoS2) as a floating gate by introducing a metal nanoparticle (NP) (Ag, Au, Pt) monolayer underneath the MoS2 nanosheets. Controlled charge trapping and long data retention have been achieved in a metal (Ag, Au, Pt) NPs-MoS2 floating gate flash memory. This controlled charge trapping is hypothesized to be attributed to band bending and a built-in electric field ξbi between the interface of the metal NPs and MoS2. The metal NPs-MoS2 floating gate flash memories were further proven to be multi-bit memory storage devices possessing a 3-bit storage capability and a good retention capability up to 104 s. We anticipate that these findings would provide scientific insight for the development of novel memory devices utilizing an atomically thin two-dimensional lattice structure.Semiconducting two-dimensional materials appear to be excellent candidates for non-volatile memory applications. However, the limited controllability of charge trapping behaviors and the lack of multi-bit storage studies in two-dimensional based memory devices require further improvement for realistic applications. Here, we report a flash memory consisting of metal NPs-molybdenum disulphide (MoS2) as a floating gate by introducing a metal nanoparticle (NP) (Ag, Au, Pt) monolayer underneath the MoS2 nanosheets. Controlled charge trapping and long data retention have been achieved in a metal (Ag, Au, Pt) NPs-MoS2 floating gate flash memory. This controlled charge trapping is hypothesized to be attributed to band bending and a built-in electric field ξbi between the interface of the metal NPs and MoS2. The metal NPs-MoS2 floating gate flash memories were further proven to be multi-bit memory storage devices possessing a 3-bit storage capability and a good retention capability up to 104 s. We anticipate that these findings would provide scientific insight for the development of novel memory devices utilizing an atomically thin two-dimensional lattice structure. Electronic supplementary information (ESI) available: Energy-dispersive X-ray spectroscopy (EDS) spectra of the metal NPs, SEM image of MoS2 on Au NPs, erasing operations of the metal NPs-MoS2 memory device, transfer characteristics of the standard FET devices and Ag NP devices under programming operation, tapping-mode AFM height image of the fabricated MoS2 film for pristine MoS2 flash memory, gate signals used for programming the Au NPs-MoS2 and Pt NPs-MoS2 flash memories, and data levels recorded for 100 sequential cycles. See DOI: 10.1039/c5nr05054e

Comprehensive hydrophilic interaction and ion-pair reversed-phase liquid chromatography for analysis of di- to deca-oligonucleotides.

PubMed

Li, Qin; Lynen, Frédéric; Wang, Jian; Li, Hanlin; Xu, Guowang; Sandra, Pat

2012-09-14

A comprehensive two-dimensional HPLC approach with a high degree of orthogonality was developed for analysis of di- to deca-oligonucleotides (ONs). Hydrophilic interaction liquid chromatography (HILIC) was used in the first dimension, and ion-pair reversed-phase liquid chromatography (IP-RPLC) was employed in the second dimension. The two dimensions were connected via a ten-port valve interface equipped with octadecyl silica (ODS) traps to immobilize and focus the ONs eluting from the first dimension prior to IP-RPLC separation. An aqueous make-up flow was used for effective trapping. The comprehensive two-dimensional HPLC system was optimized with a mixture consisting of 27 oligonucleotide standards. An overall chromatographic peak capacity of 500 was obtained. The use of the volatile buffer triethylamine acetate in the second dimension allowed straightforward coupling to electrospray ionization mass spectrometry (ESI-MS) and detection of each ON in the negative ionization mode. Copyright © 2011 Elsevier B.V. All rights reserved.

"More than Honey": Investigation on Volatiles from Monovarietal Honeys Using New Analytical and Sensory Approaches.

PubMed

Siegmund, Barbara; Urdl, Katharina; Jurek, Andrea; Leitner, Erich

2018-03-14

Eight monovarietal honeys from dandelion, fir tree, linden tree, chestnut tree, robinia, orange, lavender, and rape were investigated with respect to their volatile compounds and sensory properties. Analysis of the volatile compounds was performed by gas chromatographic techniques (one-dimensional GC-MS as well as comprehensive GC×GC-MS). For sensory evaluation Napping in combination with ultraflash profiling was applied using sensory experts. For dandelion honey, 34 volatile compounds are described for the first time to be present in dandelion honey. PCA and cluster analysis of the volatile compounds, respectively, show high correlation with the PCA obtained from sensory evaluation. Lavender and linden honey showed sensory characteristics that were not expected from these honey types. Analysis of the volatile compounds resulted in the identification of odor-active compounds that are very likely derived from sources other than the respective honeyflow. Contamination with essential oils used in apiculture is very likely to be the reason for the occurrence of these compounds in the investigated honeys.

Dimensionality and noise in energy selective x-ray imaging

PubMed Central

Alvarez, Robert E.

2013-01-01

Purpose: To develop and test a method to quantify the effect of dimensionality on the noise in energy selective x-ray imaging. Methods: The Cramèr-Rao lower bound (CRLB), a universal lower limit of the covariance of any unbiased estimator, is used to quantify the noise. It is shown that increasing dimensionality always increases, or at best leaves the same, the variance. An analytic formula for the increase in variance in an energy selective x-ray system is derived. The formula is used to gain insight into the dependence of the increase in variance on the properties of the additional basis functions, the measurement noise covariance, and the source spectrum. The formula is also used with computer simulations to quantify the dependence of the additional variance on these factors. Simulated images of an object with three materials are used to demonstrate the trade-off of increased information with dimensionality and noise. The images are computed from energy selective data with a maximum likelihood estimator. Results: The increase in variance depends most importantly on the dimension and on the properties of the additional basis functions. With the attenuation coefficients of cortical bone, soft tissue, and adipose tissue as the basis functions, the increase in variance of the bone component from two to three dimensions is 1.4 × 103. With the soft tissue component, it is 2.7 × 104. If the attenuation coefficient of a high atomic number contrast agent is used as the third basis function, there is only a slight increase in the variance from two to three basis functions, 1.03 and 7.4 for the bone and soft tissue components, respectively. The changes in spectrum shape with beam hardening also have a substantial effect. They increase the variance by a factor of approximately 200 for the bone component and 220 for the soft tissue component as the soft tissue object thickness increases from 1 to 30 cm. Decreasing the energy resolution of the detectors increases the variance of the bone component markedly with three dimension processing, approximately a factor of 25 as the resolution decreases from 100 to 3 bins. The increase with two dimension processing for adipose tissue is a factor of two and with the contrast agent as the third material for two or three dimensions is also a factor of two for both components. The simulated images show that a maximum likelihood estimator can be used to process energy selective x-ray data to produce images with noise close to the CRLB. Conclusions: The method presented can be used to compute the effects of the object attenuation coefficients and the x-ray system properties on the relationship of dimensionality and noise in energy selective x-ray imaging systems. PMID:24320442

Application of mass spectrometry in the characterization of chemicals in coal-derived liquids.

PubMed

Liu, Fang-Jing; Fan, Maohong; Wei, Xian-Yong; Zong, Zhi-Min

2017-07-01

Coal-derived liquids (CDLs) are primarily generated from pyrolysis, carbonization, gasification, direct liquefaction, low-temperature extraction, thermal dissolution, and mild oxidation. CDLs are important feedstocks for producing value-added chemicals and clean liquid fuels as well as high performance carbon materials. Accordingly, the compositional characterization of chemicals in CDLs at the molecular level with advanced analytical techniques is significant for the efficient utilization of CDLs. Although reviews on advancements have been rarely reported, great progress has been achieved in this area by using gas chromatography/mass spectrometry (GC/MS), two-dimensional GC-time of flight mass spectrometry (GC × GC-TOFMS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This review focuses on characterizing hydrocarbon, oxygen-containing, nitrogen-containing, sulfur-containing, and halogen-containing chemicals in various CDLs with these three mass spectrometry techniques. Small molecular (< 500 u), volatile and semi-volatile, and less polar chemicals in CDLs have been identified with GC/MS and GC × GC-TOFMS. By equipped with two-dimensional GC, GC × GC-TOFMS can achieve a clearly chromatographic separation of complex chemicals in CDLs without prior fractionation, and thus can overcome the disadvantages of co-elution and serious peak overlap in GC/MS analysis, providing much more compositional information. With ultrahigh resolving power and mass accuracy, FT-ICR MS reveals a huge number of compositionally distinct compounds assigned to various chemical classes in CDLs. It shows excellent performance in resolving and characterizing higher-molecular, less volatile, and polar chemicals that cannot be detected by GC/MS and GC × GC-TOFMS. The application of GC × GC-TOFMS and FT-ICR MS to chemical characterization of CDLs is not as prevalent as that of petroleum and largely remains to be developed in many respects. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:543-579, 2017. © 2016 Wiley Periodicals, Inc.

Visualizing vector field topology in fluid flows

NASA Technical Reports Server (NTRS)

Helman, James L.; Hesselink, Lambertus

1991-01-01

Methods of automating the analysis and display of vector field topology in general and flow topology in particular are discussed. Two-dimensional vector field topology is reviewed as the basis for the examination of topology in three-dimensional separated flows. The use of tangent surfaces and clipping in visualizing vector field topology in fluid flows is addressed.

Dimensionality of the Latent Structure and Item Selection via Latent Class Multidimensional IRT Models

ERIC Educational Resources Information Center

Bartolucci, F.; Montanari, G. E.; Pandolfi, S.

2012-01-01

With reference to a questionnaire aimed at assessing the performance of Italian nursing homes on the basis of the health conditions of their patients, we investigate two relevant issues: dimensionality of the latent structure and discriminating power of the items composing the questionnaire. The approach is based on a multidimensional item…

The classification of two-loop integrand basis in pure four-dimension

NASA Astrophysics Data System (ADS)

Feng, Bo; Huang, Rijun

2013-02-01

In this paper, we have made the attempt to classify the integrand basis of all two-loop diagrams in pure four-dimensional space-time. The first step of our classification is to determine all different topologies of two-loop diagrams, i.e., the structure of denominators. The second step is to determine the set of independent numerators for each topology using Gröbner basis method. For the second step, varieties defined by putting all propagators on-shell has played an important role. We discuss the structures of varieties and how they split to various irreducible branches under specific kinematic configurations of external momenta. The structures of varieties are crucial to determine coefficients of integrand basis in reduction both numerically or analytically.

Interlinking showy traits: co-engineering of scent and colour biosynthesis in flowers.

PubMed

Ben Zvi, Michal Moyal; Negre-Zakharov, Florence; Masci, Tania; Ovadis, Marianna; Shklarman, Elena; Ben-Meir, Hagit; Tzfira, Tzvi; Dudareva, Natalia; Vainstein, Alexander

2008-05-01

The phenylpropanoid pathway gives rise to metabolites that determine floral colour and fragrance. These metabolites are one of the main means used by plants to attract pollinators, thereby ensuring plant survival. A lack of knowledge about factors regulating scent production has prevented the successful enhancement of volatile phenylpropanoid production in flowers. In this study, the Production of Anthocyanin Pigment1 (Pap1) Myb transcription factor from Arabidopsis thaliana, known to regulate the production of non-volatile phenylpropanoids, including anthocyanins, was stably introduced into Petunia hybrida. In addition to an increase in pigmentation, Pap1-transgenic petunia flowers demonstrated an increase of up to tenfold in the production of volatile phenylpropanoid/benzenoid compounds. The dramatic increase in volatile production corresponded to the native nocturnal rhythms of volatile production in petunia. The application of phenylalanine to Pap1-transgenic flowers led to an increase in the otherwise negligible levels of volatiles emitted during the day to nocturnal levels. On the basis of gene expression profiling and the levels of pathway intermediates, it is proposed that both increased metabolic flux and transcriptional activation of scent and colour genes underlie the enhancement of petunia flower colour and scent production by Pap1. The co-ordinated regulation of metabolic steps within or between pathways involved in vital plant functions, as shown here for two showy traits determining plant-pollinator interactions, provides a clear advantage for plant survival. The use of a regulatory factor that activates scent production creates a new biotechnological strategy for the metabolic architecture of fragrance, leading to the creation of novel genetic variability for breeding purposes.

A multi-component evaporation model for beam melting processes

NASA Astrophysics Data System (ADS)

Klassen, Alexander; Forster, Vera E.; Körner, Carolin

2017-02-01

In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

Methods for characterizing subsurface volatile contaminants using in-situ sensors

DOEpatents

Ho, Clifford K [Albuquerque, NM

2006-02-21

An inverse analysis method for characterizing diffusion of vapor from an underground source of volatile contaminant using data taken by an in-situ sensor. The method uses one-dimensional solutions to the diffusion equation in Cartesian, cylindrical, or spherical coordinates for isotropic and homogenous media. If the effective vapor diffusion coefficient is known, then the distance from the source to the in-situ sensor can be estimated by comparing the shape of the predicted time-dependent vapor concentration response curve to the measured response curve. Alternatively, if the source distance is known, then the effective vapor diffusion coefficient can be estimated using the same inverse analysis method. A triangulation technique can be used with multiple sensors to locate the source in two or three dimensions. The in-situ sensor can contain one or more chemiresistor elements housed in a waterproof enclosure with a gas permeable membrane.

Substitution of carcinogenic solvent dichloromethane for the extraction of volatile compounds in a fat-free model food system.

PubMed

Cayot, Nathalie; Lafarge, Céline; Bou-Maroun, Elias; Cayot, Philippe

2016-07-22

Dichloromethane is known as a very efficient solvent, but, as other halogenated solvents, is recognized as a hazardous product (CMR substance). The objective of the present work is to propose substitution solvent for the extraction of volatile compounds. The most important physico-chemical parameters in the choice of an appropriate extraction solvent of volatile compounds are reviewed. Various solvents are selected on this basis and on their hazard characteristics. The selected solvents, safer than dichloromethane, are compared using the extraction efficiency of volatile compounds from a model food product able to interact with volatile compounds. Volatile compounds with different hydrophobicity are used. High extraction yields were positively correlated with high boiling points and high Log Kow values of volatile compounds. Mixtures of solvents such as azeotrope propan-2-one/cyclopentane, azeotrope ethyl acetate/ethanol, and mixture ethyl acetate/ethanol (3:1, v/v) gave higher extraction yields than those obtained with dichloromethane. Copyright © 2016 Elsevier B.V. All rights reserved.

Volatile Biomarkers in Breath Associated With Liver Cirrhosis — Comparisons of Pre- and Post-liver Transplant Breath Samples

PubMed Central

Fernández del Río, R.; O'Hara, M.E.; Holt, A.; Pemberton, P.; Shah, T.; Whitehouse, T.; Mayhew, C.A.

2015-01-01

Background The burden of liver disease in the UK has risen dramatically and there is a need for improved diagnostics. Aims To determine which breath volatiles are associated with the cirrhotic liver and hence diagnostically useful. Methods A two-stage biomarker discovery procedure was used. Alveolar breath samples of 31 patients with cirrhosis and 30 healthy controls were mass spectrometrically analysed and compared (stage 1). 12 of these patients had their breath analysed after liver transplant (stage 2). Five patients were followed longitudinally as in-patients in the post-transplant period. Results Seven volatiles were elevated in the breath of patients versus controls. Of these, five showed statistically significant decrease post-transplant: limonene, methanol, 2-pentanone, 2-butanone and carbon disulfide. On an individual basis limonene has the best diagnostic capability (the area under a receiver operating characteristic curve (AUROC) is 0.91), but this is improved by combining methanol, 2-pentanone and limonene (AUROC curve 0.95). Following transplant, limonene shows wash-out characteristics. Conclusions Limonene, methanol and 2-pentanone are breath markers for a cirrhotic liver. This study raises the potential to investigate these volatiles as markers for early-stage liver disease. By monitoring the wash-out of limonene following transplant, graft liver function can be non-invasively assessed. PMID:26501124

Use of the Endophytic Fungus Daldinia cf. concentrica and Its Volatiles as Bio-Control Agents

PubMed Central

Liarzi, Orna; Bar, Einat; Lewinsohn, Efraim; Ezra, David

2016-01-01

Endophytic fungi are organisms that spend most of their life cycle within plant tissues without causing any visible damage to the host plant. Many endophytes were found to secrete specialized metabolites and/or emit volatile organic compounds (VOCs), which may be biologically active and assist fungal survival inside the plant as well as benefit their hosts. We report on the isolation and characterization of a VOCs-emitting endophytic fungus, isolated from an olive tree (Olea europaea L.) growing in Israel; the isolate was identified as Daldinia cf. concentrica. We found that the emitted VOCs were active against various fungi from diverse phyla. Results from postharvest experiments demonstrated that D. cf. concentrica prevented development of molds on organic dried fruits, and eliminated Aspergillus niger infection in peanuts. Gas chromatography–mass spectrometry analysis of the volatiles led to identification of 27 VOCs. On the basis of these VOCs we prepared two mixtures that displayed a broad spectrum of antifungal activity. In postharvest experiments these mixtures prevented development of molds on wheat grains, and fully eliminated A. niger infection in peanuts. In light of these findings, we suggest use of D. cf. concentrica and/or its volatiles as an alternative approach to controlling phytopathogenic fungi in the food industry and in agriculture. PMID:27977739

Volatile profile analysis and quality prediction of Longjing tea (Camellia sinensis) by HS-SPME/GC-MS

PubMed Central

Lin, Jie; Dai, Yi; Guo, Ya-nan; Xu, Hai-rong; Wang, Xiao-chang

2012-01-01

This study aimed to analyze the volatile chemical profile of Longjing tea, and further develop a prediction model for aroma quality of Longjing tea based on potent odorants. A total of 21 Longjing samples were analyzed by headspace solid phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Pearson’s linear correlation analysis and partial least square (PLS) regression were applied to investigate the relationship between sensory aroma scores and the volatile compounds. Results showed that 60 volatile compounds could be commonly detected in this famous green tea. Terpenes and esters were two major groups characterized, representing 33.89% and 15.53% of the total peak area respectively. Ten compounds were determined to contribute significantly to the perceived aroma quality of Longjing tea, especially linalool (0.701), nonanal (0.738), (Z)-3-hexenyl hexanoate (−0.785), and β-ionone (−0.763). On the basis of these 10 compounds, a model (correlation coefficient of 89.4% and cross-validated correlation coefficient of 80.4%) was constructed to predict the aroma quality of Longjing tea. Summarily, this study has provided a novel option for quality prediction of green tea based on HS-SPME/GC-MS technique. PMID:23225852

Understanding decay resistance, dimensional stability and strength changes in heat treated and acetylated wood

Treesearch

Roger M. Rowell; Rebecca E. Ibach; James McSweeny; Thomas Nilsson

2009-01-01

Reductions in hygroscopicity, increased dimensional stability and decay resistance of heat-treated wood depend on decomposition of a large portion of the hemicelluloses in the wood cell wall. In theory, these hemicelluloses are converted to small organic molecules, water and volatile furan-type intermediates that can polymerize in the cell wall. Reductions in...

Subduction and volatile recycling in Earth's mantle

NASA Technical Reports Server (NTRS)

King, S. D.; Ita, J. J.; Staudigel, H.

1994-01-01

The subduction of water and other volatiles into the mantle from oceanic sediments and altered oceanic crust is the major source of volatile recycling in the mantle. Until now, the geotherms that have been used to estimate the amount of volatiles that are recycled at subduction zones have been produced using the hypothesis that the slab is rigid and undergoes no internal deformation. On the other hand, most fluid dynamical mantle flow calculations assume that the slab has no greater strength than the surrounding mantle. Both of these views are inconsistent with laboratory work on the deformation of mantle minerals at high pressures. We consider the effects of the strength of the slab using two-dimensional calculations of a slab-like thermal downwelling with an endothermic phase change. Because the rheology and composition of subducting slabs are uncertain, we consider a range of Clapeyron slopes which bound current laboratory estimates of the spinel to perovskite plus magnesiowustite phase transition and simple temperature-dependent rheologies based on an Arrhenius law diffusion mechanism. In uniform viscosity convection models, subducted material piles up above the phase change until the pile becomes gravitationally unstable and sinks into the lower mantle (the avalanche). Strong slabs moderate the 'catastrophic' effects of the instabilities seen in many constant-viscosity convection calculations; however, even in the strongest slabs we consider, there is some retardation of the slab descent due to the presence of the phase change.

Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography.

PubMed

Chin, Sung-Tong; Eyres, Graham T; Marriott, Philip J

2011-10-21

Volatile constituents in wine and brewed coffee were analyzed using a combined system incorporating both GC-olfactometry (GC-O) and comprehensive two-dimensional GC-flame ionization detection (GC×GC-FID). A column set consisting of a 15m first dimension ((1)D; DB-FFAP (free fatty acid phase)), and a 1.0m (2)D column (DB-5 phase) was applied to achieve the GC×GC separation of the volatile extracts isolated by using solid phase extraction (SPE). While 1D GC resulted in many overlapping peaks, GC×GC allowed resolution of co-eluting compounds which coincided with the odour region located using GC-O. Character-impact odourants were tentatively identified through data correlation of GC×GC contour plots across results obtained using either time-of-flight mass spectrometry (TOFMS), or with flame photometric detection (FPD) for sulfur speciation. The odourants 2-methyl-2-butenal, 2-(methoxymethyl)-furan, dimethyl trisulfide, 2-ethyl-5-methyl-pyrazine, 2-octenal, 2-furancarboxaldehyde, 3-mercapto-3-methyl-1-butanol, 2-methoxy-3-(2-methylpropyl)-pyrazine, 2-furanmethanol and isovaleric acid were suspected to be particularly responsible for coffee aroma using this approach. The presented methodology was applied to identify the potent odourants in two different Australian wine varietals. 1-Octen-3-ol, butanoic acid and 2-methylbutanoic acid were detected in both Merlot and a Sauvignon Blanc+Semillon (SV) blend with high aroma potency. Several co-eluting peaks of ethyl 4-oxo-pentanoate, 3,7-dimethyl-1,5,7-octatrien-3-ol, (Z)-2-octen-1-ol, 5-hydroxy-2-methyl-1,3-dioxane were likely contributors to the Merlot wine aroma; while (Z)-3-hexen-1-ol, β-phenylethyl acetate, hexanoic acid and co-eluting peaks of 3-ethoxy-1-propanol and hexyl formate may contribute to SV wine aroma character. The volatile sulfur compound 2-mercapto-ethyl acetate was believed to contribute a fruity, brothy, meaty, sulfur odour to Australian Merlot and SV wines. Copyright © 2011 Elsevier B.V. All rights reserved.

From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations.

PubMed

Getmanskii, Iliya V; Minyaev, Ruslan M; Steglenko, Dmitrii V; Koval, Vitaliy V; Zaitsev, Stanislav A; Minkin, Vladimir I

2017-08-14

With help of the DFT calculations and imposing of periodic boundary conditions the geometrical and electronic structures were investigated of two- and three-dimensional boron systems designed on the basis of graphane and diamond lattices in which carbons were replaced with boron tetrahedrons. The consequent studies of two- and three-layer systems resulted in the construction of a three-dimensional supertetrahedral borane crystal structure. The two-dimensional supertetrahedral borane structures with less than seven layers are dynamically unstable. At the same time the three-dimensional superborane systems were found to be dynamically stable. Lack of the forbidden electronic zone for the studied boron systems testifies that these structures can behave as good conductors. The low density of the supertetrahedral borane crystal structures (0.9 g cm -3 ) is close to that of water, which offers the perspective for their application as aerospace and cosmic materials. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Characterization of the volatile profiles of beer using headspace solid-phase microextraction and gas chromatography-mass spectrometry.

PubMed

Rossi, Serena; Sileoni, Valeria; Perretti, Giuseppe; Marconi, Ombretta

2014-03-30

The objective of this study was a multivariate characterization of the volatile profile of beers. Such a characterization is timely considering the increasing worldwide consumption of beer, the continuous growth of microbreweries and the importance of volatile compounds to beer flavour. A method employing solid-phase microextraction and gas chromatography-mass spectrometry (SPME-GC-MS) was optimized and then applied to a sample set of 36 industrial and craft beers of various styles and fermentation types. The volatile profiles of different beer styles is described, with particular attention paid to the volatile compounds characteristic of a spontaneously fermented lambic raspberry framboise beer. Furthermore, it was also possible to identify which specific volatile compounds are principally responsible for the differences in the volatile profiles of top- and bottom-fermented beers. Moreover, a volatile fingerprint of the craft top-fermented Italian beers was defined, as they show a very similar volatile profile. Finally, the volatile compounds that are characteristic of the bock-style beers are described. The SPME-GC-MS analytical method optimized in this study is suitable for characterizing the volatile fingerprint of different beers, especially on the basis of the kind of fermentation (top, bottom or spontaneous), the method of production and the style of the beer. © 2013 Society of Chemical Industry.

Generalized neurofuzzy network modeling algorithms using Bézier-Bernstein polynomial functions and additive decomposition.

PubMed

Hong, X; Harris, C J

2000-01-01

This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.

PARTIAL RESTRAINING FORCE INTRODUCTION METHOD FOR DESIGNING CONSTRUCTION COUNTERMESURE ON ΔB METHOD

NASA Astrophysics Data System (ADS)

Nishiyama, Taku; Imanishi, Hajime; Chiba, Noriyuki; Ito, Takao

Landslide or slope failure is a three-dimensional movement phenomenon, thus a three-dimensional treatment makes it easier to understand stability. The ΔB method (simplified three-dimensional slope stability analysis method) is based on the limit equilibrium method and equals to an approximate three-dimensional slope stability analysis that extends two-dimensional cross-section stability analysis results to assess stability. This analysis can be conducted using conventional spreadsheets or two-dimensional slope stability computational software. This paper describes the concept of the partial restraining force in-troduction method for designing construction countermeasures using the distribution of the restraining force found along survey lines, which is based on the distribution of survey line safety factors derived from the above-stated analysis. This paper also presents the transverse distributive method of restraining force used for planning ground stabilizing on the basis of the example analysis.

Theory of nanoscale friction on chemically modified graphene

NASA Astrophysics Data System (ADS)

Ko, Jae-Hyeon; Kim, Yong-Hyun

2013-03-01

Recently, it is known from FFM experiments that friction force on graphene is significantly increased by chemical modification such as hydrogenation, oxidization, and fluorination, whereas adhesion properties are altered marginally. A novel nanotribological theory on two-dimensional materials is proposed on the basis of experimental results and first-principles density-functional theory (DFT) calculations. The proposed theory indicates that the total lateral stiffness that is the proportional constant of friction force is mostly associated with the out-of-plane bending stiffness of two-dimensional materials. This contrasts to the case of three-dimensional materials, in which the shear strength of materials determines nanoscale friction. We will discuss details of DFT calculations and how to generalize the current theory to three dimensional materials.

Particle circulation and solids transport in large bubbling fluidized beds. Progress report

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

Homsy, G.M.

1982-04-01

We have undertaken a theoretical study of the possibility of the formation of plumes or channeling when coal particles volatilize upon introduction to a fluidized bed, Fitzgerald (1980). We have completed the analysis of the basic state of uniform flow and are currently completing a stability analysis. We have modified the continuum equations of fluidization, Homsy et al. (1980), to include the source of gas due to volatilization, which we assume to be uniformly distributed spatially. Simplifying these equations and solving leads to the prediction of a basic state analogous to the state of uniform fluidization found when no sourcemore » is present within the medium. We are currently completing a stability analysis of this basic state which will give the critical volatilization rate above which the above simple basic state is unstable. Because of the experimental evidence of Jewett and Lawless (1981), who observed regularly spaced plume-like instabilities upon drying a bed of saturated silica gel, we are considering two-dimensional periodic disturbances. The analysis is similar to that given by Homsy, et al. (1980) and Medlin et al. (1974). We hope to determine the stability limits for this system shortly.« less

Identification of volatiles from pineapple (Ananas comosus L.) pulp by comprehensive two-dimensional gas chromatography and gas chromatography/mass spectrometry.

PubMed

Pedroso, Marcio P; Ferreira, Ernesto C; Hantao, Leandro W; Bogusz, Stanislau; Augusto, Fabio

2011-07-01

Combining qualitative data from the chromatographic structure of 2-D gas chromatography with flame ionization detection (GC×GC-FID) and that from gas chromatography-mass spectrometry (GC/MS) should result in a more accurate assignment of the peak identities than the simple analysis by GC/MS, where coelution of analytes is unavoidable in highly complex samples (rendering spectra unsuitable for qualitative purposes) or for compounds in very low concentrations. Using data from GC×GC-FID combined with GC/MS can reveal coelutions that were not detected by mass spectra deconvolution software. In addition, some compounds can be identified according to the structure of the GC×GC-FID chromatogram. In this article, the volatile fractions of fresh and dehydrated pineapple pulp were evaluated. The extraction of the volatiles was performed by dynamic headspace extraction coupled to solid-phase microextraction (DHS-SPME), a technique appropriate for slurries or solid matrices. Extracted analytes were then analyzed by GC×GC-FID and GC/MS. The results obtained using both techniques were combined to improve compound identifications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

76 FR 50516 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-15

... Volatility, was approved by the Commission on June 10, 2010 on a pilot basis. The pilot is currently set to... extraordinary market volatility, if adopted, applies to the Circuit Breaker Stocks.\\5\\ The rule was developed in... individual stocks that experience rapid price movement.\\6\\ As the duration of the pilot expires on the...

MATRIX-VBS Condensing Organic Aerosols in an Aerosol Microphysics Model

NASA Technical Reports Server (NTRS)

Gao, Chloe Y.; Tsigaridis, Konstas; Bauer, Susanne E.

2015-01-01

The condensation of organic aerosols is represented in a newly developed box-model scheme, where its effect on the growth and composition of particles are examined. We implemented the volatility-basis set (VBS) framework into the aerosol mixing state resolving microphysical scheme Multiconfiguration Aerosol TRacker of mIXing state (MATRIX). This new scheme is unique and advances the representation of organic aerosols in models in that, contrary to the traditional treatment of organic aerosols as non-volatile in most climate models and in the original version of MATRIX, this new scheme treats them as semi-volatile. Such treatment is important because low-volatility organics contribute significantly to the growth of particles. The new scheme includes several classes of semi-volatile organic compounds from the VBS framework that can partition among aerosol populations in MATRIX, thus representing the growth of particles via condensation of low volatility organic vapors. Results from test cases representing Mexico City and a Finish forrest condistions show good representation of the time evolutions of concentration for VBS species in the gas phase and in the condensed particulate phase. Emitted semi-volatile primary organic aerosols evaporate almost completely in the high volatile range, and they condense more efficiently in the low volatility range.

Prokaryotes in salt marsh sediments of Ria de Aveiro: Effects of halophyte vegetation on abundance and diversity

NASA Astrophysics Data System (ADS)

Oliveira, Vanessa; Santos, Ana L.; Aguiar, Claúdia; Santos, Luisa; Salvador, Ângelo C.; Gomes, Newton C. M.; Silva, Helena; Rocha, Sílvia M.; Almeida, Adelaide; Cunha, Ângela

2012-09-01

The aim of this study was to investigate the influence of monospecific colonization of sediment stands by Spartina maritima or Halimione portulacoides on benthic prokaryote assemblages in a salt marsh located in Ria de Aveiro (Portugal). The distribution of Bacteria, Archaea and sulfate-reducing bacteria (SRB) in sediments with monospecific plant stands and in unvegetated sediments was characterized by Fluorescence In Situ Hybridization (FISH). Total prokaryote abundance (0.4 × 109-1.7 × 109 cells gdw-1) was highest in sediments from the surface layer. The domain Bacteria comprised approximately 40% of total prokaryote communities with the highest percentages occurring in the surface layer. Archaeal cells corresponded to an average of 25% of total prokaryote population, with higher abundance in the vegetation banks, and displaying homogeneous vertical distribution. The relative abundance of SRB represented approximately 3% of total 4', 6-diamidino-2-phenylindole dihydrochloride (DAPI) stained cells at unvegetated sediment and H. portulacoides stand and 7% at S. maritima stand. Headspace solid-phase microextraction (HS-SPME) combined with Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GC × GC-ToFMS) was used to analyse the volatile and semi-volatile fraction of root exudates. A total of 171 compounds were identified and Principal Component Analysis showed a clear separation between the chemical composition (volatile and semi-volatile organic compounds) of the exudates of the two plants. The patterns of vertical distribution and differences in the proportion of SRB and Archaea in the prokaryote communities developing in sediments colonized by Spartina maritima or Halimione portulacoides suggest the existence of plant-specific interactions between halophyte vegetation and estuarine sediment bacteria in Ria de Aveiro salt marshes, exerted via sediment lithology and root-derived exudates.

The Cascadia Paradox: Understanding Mantle Flow in the Cascadia Subduction System

NASA Astrophysics Data System (ADS)

Long, M. D.

2015-12-01

The pattern of mantle flow in subduction systems, and the processes that control the mantle flow field, is a fundamental but still poorly understood aspect of subduction dynamics. Mantle flow plays a key role in controlling the transport of volatiles and melt in the wedge, deformation of the overriding plate, mass transfer between the upper and lower mantle, and the morphology and dynamics of slabs. The Cascadia subduction zone provides a compelling system in which to understand the controls on mantle flow, particularly given the dense geophysical observations provided by EarthScope, GeoPRISMS, the Cascadia Initiative, and related efforts. Cascadia is a particularly intriguing system because observations of seismic anisotropy, which provide relatively direct constraints on mantle flow, seem to yield contradictory views of the mantle flow field in different parts of the system. Observations of seismic anisotropy on the overriding plate apparently require a significant component of three-dimensional, toroidal flow around the slab edge, while new observations from offshore stations are compellingly explained with a simple two-dimensional entrained flow model. Recent evidence from seismic tomography for the fragmentation of the Cascadia slab at depth provides a further puzzle: how can a fragmented slab provide a driving force for either two-dimensional entrained flow or three-dimensional toroidal flow due to slab rollback? I will present a synthesis of recent observations of seismic anisotropy in the Cascadia subduction system, and how they can be integrated with constraints from geodynamical modeling, geochemistry, and the history and timing of Pacific Northwest volcanism. I will discuss the compelling but contradictory evidence for each of the endmember mantle flow models (two-dimensional entrained flow vs. three-dimensional toroidal flow) and explore possible avenues for resolving the Cascadia Paradox.

A well-balanced meshless tsunami propagation and inundation model

NASA Astrophysics Data System (ADS)

Brecht, Rüdiger; Bihlo, Alexander; MacLachlan, Scott; Behrens, Jörn

2018-05-01

We present a novel meshless tsunami propagation and inundation model. We discretize the nonlinear shallow-water equations using a well-balanced scheme relying on radial basis function based finite differences. For the inundation model, radial basis functions are used to extrapolate the dry region from nearby wet points. Numerical results against standard one- and two-dimensional benchmarks are presented.

Volatile-Compound Fingerprinting by Headspace-Gas-Chromatography Ion-Mobility Spectrometry (HS-GC-IMS) as a Benchtop Alternative to 1H NMR Profiling for Assessment of the Authenticity of Honey.

PubMed

Gerhardt, Natalie; Birkenmeier, Markus; Schwolow, Sebastian; Rohn, Sascha; Weller, Philipp

2018-02-06

This work describes a simple approach for the untargeted profiling of volatile compounds for the authentication of the botanical origins of honey based on resolution-optimized HS-GC-IMS combined with optimized chemometric techniques, namely PCA, LDA, and kNN. A direct comparison of the PCA-LDA models between the HS-GC-IMS and 1 H NMR data demonstrated that HS-GC-IMS profiling could be used as a complementary tool to NMR-based profiling of honey samples. Whereas NMR profiling still requires comparatively precise sample preparation, pH adjustment in particular, HS-GC-IMS fingerprinting may be considered an alternative approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. It was demonstrated that all tested honey samples could be distinguished on the basis of their botanical origins. Loading plots revealed the volatile compounds responsible for the differences among the monofloral honeys. The HS-GC-IMS-based PCA-LDA model was composed of two linear functions of discrimination and 10 selected PCs that discriminated canola, acacia, and honeydew honeys with a predictive accuracy of 98.6%. Application of the LDA model to an external test set of 10 authentic honeys clearly proved the high predictive ability of the model by correctly classifying them into three variety groups with 100% correct classifications. The constructed model presents a simple and efficient method of analysis and may serve as a basis for the authentication of other food types.

Late Veneer collisions and their impact on the evolution of Venus (PS Division Outstanding ECS Award Lecture)

NASA Astrophysics Data System (ADS)

Gillmann, Cedric; Golabek, Gregor; Tackley, Paul; Raymond, Sean

2017-04-01

During the end of the accretion, the so-called Late Veneer phase, while the bulk of the mass of terrestrial planets is already in place, a substantial number of large collisions can still occur. Those impacts are thought to be responsible for the repartition of the Highly Siderophile Elements. They are also susceptible to have a strong effect on volatile repartition and mantle convection. We study how Late Veneer impacts modify the evolution of Venus and its atmosphere, using a coupled numerical simulation. We focus on volatile exchanges and their effects on surface conditions. Mantle dynamics, volcanism and degassing processes lead to an input of gases in the atmosphere and are modeled using the StagYY mantle convection code. Volatile losses are estimated through atmospheric escape modeling. It involves two different aspects: hydrodynamic escape (0-500 Myr) and non-thermal escape. Hydrodynamic escape is massive but occurs only when the solar energy input is strong. Post 4 Ga escape from non-thermal processes is comparatively low but long-lived. The resulting state of the atmosphere is used to the calculate greenhouse effect and surface temperature, through a one-dimensional gray radiative-convective model. Large impacts are capable of contributing to (i) atmospheric escape, (ii) volatile replenishment and (iii) energy transfer to the mantle. We test various impactor compositions, impact parameters (velocity, location, size, and timing) and eroding power. Scenarios we tested are adapted from numerical stochastic simulations (Raymond et al., 2013). Impactor sizes are dominated by large bodies (R>500 km). Erosion of the atmosphere by a few large impacts appears limited. Swarms of smaller more mass-effective impactors seem required for this effect to be significant. Large impactors have two main effects on the atmosphere. They can (i) create a large input of volatile from the melting they cause during the impact and through the volatiles they carry. This leads to an increase in atmosphere density and surface temperatures. However, early impacts can also (ii) deplete the mantle of Venus and (assuming strong early escape) ultimately remove volatiles from the system, leading to lower late degassing and lower surface temperatures. The competition between those effects depends on the time of the impact, which directly governs the strength of atmospheric losses.

Evaluation of the separation characteristics of application-specific (volatile organic compounds) open-tubular columns for gas chromatography.

PubMed

Poole, Colin F; Qian, Jing; Kiridena, Waruna; Dekay, Colleen; Koziol, Wladyslaw W

2006-11-17

The solvation parameter model is used to characterize the separation characteristics of two application-specific open-tubular columns (Rtx-Volatiles and Rtx-VGC) and a general purpose column for the separation of volatile organic compounds (DB-WAXetr) at five equally spaced temperatures over the range 60-140 degrees C. System constant differences and retention factor correlation plots are then used to determine selectivity differences between the above columns and their closest neighbors in a large database of system constants and retention factors for forty-four open-tubular columns. The Rtx-Volatiles column is shown to have separation characteristics predicted for a poly(dimethyldiphenylsiloxane) stationary phase containing about 16% diphenylsiloxane monomer. The Rtx-VGC column has separation properties similar to the poly(cyanopropylphenyldimethylsiloxane) stationary phase containing 14% cyanopropylphenylsiloxane monomer DB-1701 for non-polar and dipolar/polarizable compounds but significantly different characteristics for the separation of hydrogen-bond acids. For all practical purposes the DB-WAXetr column is shown to be selectivity equivalent to poly(ethylene glycol) columns prepared using different chemistries for bonding and immobilizing the stationary phase. Principal component analysis and cluster analysis are then used to classify the system constants for the above columns and a sub-database of eleven open-tubular columns (DB-1, HP-5, DB-VRX, Rtx-20, DB-35, Rtx-50, Rtx-65, DB-1301, DB-1701, DB-200, and DB-624) commonly used for the separation of volatile organic compounds. A rationale basis for column selection based on differences in intermolecular interactions is presented as an aid to method development for the separation of volatile organic compounds.

Dimensionality and noise in energy selective x-ray imaging

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

Alvarez, Robert E.

Purpose: To develop and test a method to quantify the effect of dimensionality on the noise in energy selective x-ray imaging.Methods: The Cramèr-Rao lower bound (CRLB), a universal lower limit of the covariance of any unbiased estimator, is used to quantify the noise. It is shown that increasing dimensionality always increases, or at best leaves the same, the variance. An analytic formula for the increase in variance in an energy selective x-ray system is derived. The formula is used to gain insight into the dependence of the increase in variance on the properties of the additional basis functions, the measurementmore » noise covariance, and the source spectrum. The formula is also used with computer simulations to quantify the dependence of the additional variance on these factors. Simulated images of an object with three materials are used to demonstrate the trade-off of increased information with dimensionality and noise. The images are computed from energy selective data with a maximum likelihood estimator.Results: The increase in variance depends most importantly on the dimension and on the properties of the additional basis functions. With the attenuation coefficients of cortical bone, soft tissue, and adipose tissue as the basis functions, the increase in variance of the bone component from two to three dimensions is 1.4 × 10{sup 3}. With the soft tissue component, it is 2.7 × 10{sup 4}. If the attenuation coefficient of a high atomic number contrast agent is used as the third basis function, there is only a slight increase in the variance from two to three basis functions, 1.03 and 7.4 for the bone and soft tissue components, respectively. The changes in spectrum shape with beam hardening also have a substantial effect. They increase the variance by a factor of approximately 200 for the bone component and 220 for the soft tissue component as the soft tissue object thickness increases from 1 to 30 cm. Decreasing the energy resolution of the detectors increases the variance of the bone component markedly with three dimension processing, approximately a factor of 25 as the resolution decreases from 100 to 3 bins. The increase with two dimension processing for adipose tissue is a factor of two and with the contrast agent as the third material for two or three dimensions is also a factor of two for both components. The simulated images show that a maximum likelihood estimator can be used to process energy selective x-ray data to produce images with noise close to the CRLB.Conclusions: The method presented can be used to compute the effects of the object attenuation coefficients and the x-ray system properties on the relationship of dimensionality and noise in energy selective x-ray imaging systems.« less

78 FR 9823 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of a Group of Four...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-12

... Air Quality: Revision to Definition of Volatile Organic Compounds--Exclusion of a Group of Four... amending its definition of VOC at 40 CFR 51.100(s) to exclude a group of four HFPE's identified as HCF 2... adds four chemical compounds to the list of compounds excluded from the definition of VOC on the basis...

Fig volatile compounds--a first comparative study.

PubMed

Grison-Pigé, Laure; Hossaert-McKey, Martine; Greeff, Jaco M; Bessière, Jean-Marie

2002-09-01

We analysed the compounds of volatile blends released by receptive figs of twenty Ficus species to attract their specific pollinating wasps. In all, 99 different compounds were identified. The compounds are mainly terpenoids, aliphatic compounds and products from the shikimic acid pathway. In each species blend, there are few major compounds, which are generally common among floral fragrances. Most species blends also include rare compounds, but generally their proportion in the blend is low. A possible basis for species-specificity of Ficus-wasp interactions is discussed in relation to the patterns of volatiles found in this interspecies comparison. Copyright 2002 Elsevier Science Ltd.

The Quantified Characterization Method of the Micro-Macro Contacts of Three-Dimensional Granular Materials on the Basis of Graph Theory.

PubMed

Guan, Yanpeng; Wang, Enzhi; Liu, Xiaoli; Wang, Sijing; Luan, Hebing

2017-08-03

We have attempted a multiscale and quantified characterization method of the contact in three-dimensional granular material made of spherical particles, particularly in cemented granular material. Particle contact is defined as a type of surface contact with voids in its surroundings, rather than a point contact. Macro contact is a particle contact set satisfying the restrictive condition of a two-dimensional manifold with a boundary. On the basis of graph theory, two dual geometrical systems are abstracted from the granular pack. The face and the face set, which satisfies the two-dimensional manifold with a boundary in the solid cell system, are extracted to characterize the particle contact and the macro contact, respectively. This characterization method is utilized to improve the post-processing in DEM (Discrete Element Method) from a micro perspective to describe the macro effect of the cemented granular material made of spherical particles. Since the crack has the same shape as its corresponding contact, this method is adopted to characterize the crack and realize its visualization. The integral failure route of the sample can be determined by a graph theory algorithm. The contact force is assigned to the weight value of the face characterizing the particle contact. Since the force vectors can be added, the macro contact force can be solved by adding the weight of its corresponding faces.

Brain Injury Alters Volatile Metabolome

PubMed Central

Cohen, Akiva S.; Gordon, Amy R.; Opiekun, Maryanne; Martin, Talia; Elkind, Jaclynn; Lundström, Johan N.; Beauchamp, Gary K.

2016-01-01

Chemical signals arising from body secretions and excretions communicate information about health status as have been reported in a range of animal models of disease. A potential common pathway for diseases to alter chemical signals is via activation of immune function—which is known to be intimately involved in modulation of chemical signals in several species. Based on our prior findings that both immunization and inflammation alter volatile body odors, we hypothesized that injury accompanied by inflammation might correspondingly modify the volatile metabolome to create a signature endophenotype. In particular, we investigated alteration of the volatile metabolome as a result of traumatic brain injury. Here, we demonstrate that mice could be trained in a behavioral assay to discriminate mouse models subjected to lateral fluid percussion injury from appropriate surgical sham controls on the basis of volatile urinary metabolites. Chemical analyses of the urine samples similarly demonstrated that brain injury altered urine volatile profiles. Behavioral and chemical analyses further indicated that alteration of the volatile metabolome induced by brain injury and alteration resulting from lipopolysaccharide-associated inflammation were not synonymous. Monitoring of alterations in the volatile metabolome may be a useful tool for rapid brain trauma diagnosis and for monitoring recovery. PMID:26926034

Analysis of volatile organic compounds released from the decay of surrogate human models simulating victims of collapsed buildings by thermal desorption-comprehensive two-dimensional gas chromatography-time of flight mass spectrometry.

PubMed

Agapiou, A; Zorba, E; Mikedi, K; McGregor, L; Spiliopoulou, C; Statheropoulos, M

2015-07-09

Field experiments were devised to mimic the entrapment conditions under the rubble of collapsed buildings aiming to investigate the evolution of volatile organic compounds (VOCs) during the early dead body decomposition stage. Three pig carcasses were placed inside concrete tunnels of a search and rescue (SAR) operational field terrain for simulating the entrapment environment after a building collapse. The experimental campaign employed both laboratory and on-site analytical methods running in parallel. The current work focuses only on the results of the laboratory method using thermal desorption coupled to comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (TD-GC×GC-TOF MS). The flow-modulated TD-GC×GC-TOF MS provided enhanced separation of the VOC profile and served as a reference method for the evaluation of the on-site analytical methods in the current experimental campaign. Bespoke software was used to deconvolve the VOC profile to extract as much information as possible into peak lists. In total, 288 unique VOCs were identified (i.e., not found in blank samples). The majority were aliphatics (172), aromatics (25) and nitrogen compounds (19), followed by ketones (17), esters (13), alcohols (12), aldehydes (11), sulfur (9), miscellaneous (8) and acid compounds (2). The TD-GC×GC-TOF MS proved to be a sensitive and powerful system for resolving the chemical puzzle of above-ground "scent of death". Copyright © 2015 Elsevier B.V. All rights reserved.

A numerical fragment basis approach to SCF calculations.

NASA Astrophysics Data System (ADS)

Hinde, Robert J.

1997-11-01

The counterpoise method is often used to correct for basis set superposition error in calculations of the electronic structure of bimolecular systems. One drawback of this approach is the need to specify a ``reference state'' for the system; for reactive systems, the choice of an unambiguous reference state may be difficult. An example is the reaction F^- + HCl arrow HF + Cl^-. Two obvious reference states for this reaction are F^- + HCl and HF + Cl^-; however, different counterpoise-corrected interaction energies are obtained using these two reference states. We outline a method for performing SCF calculations which employs numerical basis functions; this method attempts to eliminate basis set superposition errors in an a priori fashion. We test the proposed method on two one-dimensional, three-center systems and discuss the possibility of extending our approach to include electron correlation effects.

Shading of a computer-generated hologram by zone plate modulation.

PubMed

Kurihara, Takayuki; Takaki, Yasuhiro

2012-02-13

We propose a hologram calculation technique that enables reconstructing a shaded three-dimensional (3D) image. The amplitude distributions of zone plates, which generate the object points that constitute a 3D object, were two-dimensionally modulated. Two-dimensional (2D) amplitude modulation was determined on the basis of the Phong reflection model developed for computer graphics, which considers the specular, diffuse, and ambient reflection light components. The 2D amplitude modulation added variable and constant modulations: the former controlled the specular light component and the latter controlled the diffuse and ambient components. The proposed calculation technique was experimentally verified. The reconstructed image showed specular reflection that varied depending on the viewing position.

Constraining a hybrid volatility basis-set model for aging of wood-burning emissions using smog chamber experiments: a box-model study based on the VBS scheme of the CAMx model (v5.40)

NASA Astrophysics Data System (ADS)

Ciarelli, Giancarlo; El Haddad, Imad; Bruns, Emily; Aksoyoglu, Sebnem; Möhler, Ottmar; Baltensperger, Urs; Prévôt, André S. H.

2017-06-01

In this study, novel wood combustion aging experiments performed at different temperatures (263 and 288 K) in a ˜ 7 m3 smog chamber were modelled using a hybrid volatility basis set (VBS) box model, representing the emission partitioning and their oxidation against OH. We combine aerosol-chemistry box-model simulations with unprecedented measurements of non-traditional volatile organic compounds (NTVOCs) from a high-resolution proton transfer reaction mass spectrometer (PTR-MS) and with organic aerosol measurements from an aerosol mass spectrometer (AMS). Due to this, we are able to observationally constrain the amounts of different NTVOC aerosol precursors (in the model) relative to low volatility and semi-volatile primary organic material (OMsv), which is partitioned based on current published volatility distribution data. By comparing the NTVOC / OMsv ratios at different temperatures, we determine the enthalpies of vaporization of primary biomass-burning organic aerosols. Further, the developed model allows for evaluating the evolution of oxidation products of the semi-volatile and volatile precursors with aging. More than 30 000 box-model simulations were performed to retrieve the combination of parameters that best fit the observed organic aerosol mass and O : C ratios. The parameters investigated include the NTVOC reaction rates and yields as well as enthalpies of vaporization and the O : C of secondary organic aerosol surrogates. Our results suggest an average ratio of NTVOCs to the sum of non-volatile and semi-volatile organic compounds of ˜ 4.75. The mass yields of these compounds determined for a wide range of atmospherically relevant temperatures and organic aerosol (OA) concentrations were predicted to vary between 8 and 30 % after 5 h of continuous aging. Based on the reaction scheme used, reaction rates of the NTVOC mixture range from 3.0 × 10-11 to 4. 0 × 10-11 cm3 molec-1 s-1. The average enthalpy of vaporization of secondary organic aerosol (SOA) surrogates was determined to be between 55 000 and 35 000 J mol-1, which implies a yield increase of 0.03-0.06 % K-1 with decreasing temperature. The improved VBS scheme is suitable for implementation into chemical transport models to predict the burden and oxidation state of primary and secondary biomass-burning aerosols.

Resonant tunneling based graphene quantum dot memristors.

PubMed

Pan, Xuan; Skafidas, Efstratios

2016-12-08

In this paper, we model two-terminal all graphene quantum dot (GQD) based resistor-type memory devices (memristors). The resistive switching is achieved by resonant electron tunneling. We show that parallel GQDs can be used to create multi-state memory circuits. The number of states can be optimised with additional voltage sources, whilst the noise margin for each state can be controlled by appropriately choosing the branch resistance. A three-terminal GQD device configuration is also studied. The addition of an isolated gate terminal can be used to add further or modify the states of the memory device. The proposed devices provide a promising route towards volatile memory devices utilizing only atomically thin two-dimensional graphene.

Two Dimensional Host-Guest Metal-Organic Framework Sensor with High Selectivity and Sensitivity to Picric Acid.

PubMed

Bagheri, Minoo; Masoomi, Mohammad Yaser; Morsali, Ali; Schoedel, Alexander

2016-08-24

A dye-sensitized metal-organic framework, TMU-5S, was synthesized based on introducing the laser dye Rhodamine B into the porous framework TMU-5. TMU-5S was investigated as a ratiometric fluorescent sensor for the detection of explosive nitro aromatic compounds and showed four times greater selectivity to picric acid than any state-of-the-art luminescent-based sensor. Moreover, it can selectively discriminate picric acid concentrations in the presence of other nitro aromatics and volatile organic compounds. Our findings indicate that using this sensor in two dimensions leads to a greatly reduced environmental interference response and thus creates exceptional sensitivity toward explosive molecules with a fast response.

Sources of atmospheric ammonia

NASA Technical Reports Server (NTRS)

Harriss, R. C.; Michaels, J. T.

1982-01-01

The information available on factors that influence emissions from the principal societal sources of ammonia to the atmosphere, namely combustion processes, volatilization of farm animal wastes, and volatilization of fertilizers, is reviewed. Emission factors are established for each major source of atmospheric ammonia. The factors are then multiplied by appropriate source characterization descriptors to obtain calculated fluxes of ammonia to the atmosphere on a state-by-state basis for the United States.

Operational manual for two-dimensional transonic code TSFOIL

NASA Technical Reports Server (NTRS)

Stahara, S. S.

1978-01-01

This code solves the two-dimensional, transonic, small-disturbance equations for flow past lifting airfoils in both free air and various wind-tunnel environments by using a variant of the finite-difference method. A description of the theoretical and numerical basis of the code is provided, together with complete operating instructions and sample cases for the general user. In addition, a programmer's manual is also presented to assist the user interested in modifying the code. Included in the programmer's manual are a dictionary of subroutine variables in common and a detailed description of each subroutine.

Prototype of an Interface for Hyphenating Distillation with Gas Chromatography and Mass Spectrometry

PubMed Central

Tang, Ya-Ru; Yang, Hui-Hsien; Urban, Pawel L.

2017-01-01

Chemical analysis of complex matrices—containing hundreds of compounds—is challenging. Two-dimensional separation techniques provide an efficient way to reduce complexity of mixtures analyzed by mass spectrometry (MS). For example, gasoline is a mixture of numerous compounds, which can be fractionated by distillation techniques. However, coupling conventional distillation with other separations as well as MS is not straightforward. We have established an automatic system for online coupling of simple microscale distillation with gas chromatography (GC) and electron ionization MS. The developed system incorporates an interface between the distillation condenser and the injector of a fused silica capillary GC column. Development of this multidimensional separation (distillation-GC-MS) was preceded by a series of preliminary off-line experiments. In the developed technique, the components with different boiling points are fractionated and instantly analyzed by GC-MS. The obtained data sets illustrate dynamics of the distillation process. An important advantage of the distillation-GC-MS technique is that raw samples can directly be analyzed without removal of the non-volatile matrix residues that could contaminate the GC injection port and the column. Distilling the samples immediately before the injection to the GC column may reduce possible matrix effects—especially in the early phase of separation, when molecules with different volatilities co-migrate. It can also reduce losses of highly volatile components (during fraction collection and transfer). The two separation steps are partly orthogonal, what can slightly increase selectivity of the entire analysis. PMID:28337400

Corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry for monitoring of volatile organic compounds.

PubMed

Sabo, Martin; Matejčík, Štefan

2012-06-19

We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H(3)O(+)(H(2)O)(n) and NO(+). The NO(+) offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H(3)O(+)(H(2)O)(n) and NO(+), we have carried out ionization of VOCs using acetone as dopant gas ((CH(3))(2)COH(+)). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.

Physical mechanisms leading to two-dimensional gas content evolution within a volcanic conduit

NASA Astrophysics Data System (ADS)

Collombet, M.; Burgisser, A.; Chevalier, L. A. C.

2017-12-01

The eruption of viscous magma at the Earth's surface often gives rise to abrupt regime changes. The transition from the gentle effusion of a lava dome to brief but powerful explosions is a common regime change. This transition is often preceded by the sealing of the shallow part of the volcanic conduit and the accumulation of volatile-rich magma underneath, a situation that collects the energy to be brutally released during the subsequent explosion. While conduit sealing is well-documented, volatile accumulation has proven harder to characterize. In this study, we use a 2D conduit flow numerical model including gas loss within the magma and into the wallrock to follow the evolution of gas content during a regime transition. Using various initial porosity distributions, permeability laws and boundary conditions, we track the physical parameters that prevent or enhance gas escape from the magma. Our approach aims to identify the physical processes controlling eruptive transitions and to highlight the importance of using field data observations to constrain numerical models.

Constrained optimization by radial basis function interpolation for high-dimensional expensive black-box problems with infeasible initial points

NASA Astrophysics Data System (ADS)

Regis, Rommel G.

2014-02-01

This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.

VLEACH

EPA Science Inventory

VLEACH is a one-dimensional, finite difference model for making preliminary assessments of the effects on ground water from the leaching of volatile, sorbed contaminants through the vadose zone. The program models four main processes: liquid-phase advection, solid-phase sorption,...

New deconvolution method for microscopic images based on the continuous Gaussian radial basis function interpolation model.

PubMed

Chen, Zhaoxue; Chen, Hao

2014-01-01

A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.

Parametric study of two-stage hydropyrolysis of lignocellulosic biomass for production of gaseous and light aromatic hydrocarbons.

PubMed

Zheng, Nan; Zhang, Jie; Wang, Jie

2017-11-01

Non-catalytic hydropyrolysis of pinewood and its components was carried out using a two-stage reactor. The main aim of this work is to investigate the hydrodeoxygenation and hydrogenation of volatile matter in the post hydrocracking reactor for oriented production of gaseous and light aromatic hydrocarbons. A portion of volatile matter, which evolved from hemicellulose, neutral extractives and lignin below 275°C, was found to be thoroughly hydrodeoxygenated preventing the release of CO 2 and CO. Increasing hydrocracking temperature from 600°C to 750°C and pressure from 1.0MPa to 5.0MPa strongly facilitated the hydrogenation reactions to target products. The summed yield of CH 4 and C 2 H 6 (dry biomass basis) reached up to 33.2% at a hydrocracking temperature of 750°C and 5.0MPa, with a concomitant 5.1% yield of BTX. All components in pinewood significantly contributed to the production of CH 4 and BTX by hydropyrolysis, differing from the case of pyrolysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analysis of Realized Volatility in Two Trading Sessionsof the Japanese Stock Market

NASA Astrophysics Data System (ADS)

Takaishi, T.; Chen, T. T.; Zheng, Z.

We analyze realized volatilities constructedusing high-frequency stock data on the Tokyo Stock Exchange. In order to avoid non-trading hours issue in volatility calculations we define two realized volatilities calculated separately in the two trading sessions of the Tokyo Stock Exchange, i.e. morning and afternoon sessions. After calculating the realized volatilities at various sampling frequencies we evaluate the bias from the microstructure noise as a function of sampling frequency. Taking account of the bias to realized volatility we examine returns standardized by realized volatilities and confirm that price returns on the Tokyo Stock Exchange are described approximately by Gaussian time series with time-varying volatility, i.e. consistent with a mixture of distributions hypothesis.

Quasi Sturmian basis for the two-electon continuum

NASA Astrophysics Data System (ADS)

Zaytsev, A. S.; Ancarani, L. U.; Zaytsev, S. A.

2016-02-01

A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic systems. We name these functions, which are calculated in terms of the recently introduced quasi Sturmian functions, Convoluted Quasi Sturmian functions (CQS); by construction, they look asymptotically like a six-dimensional spherical wave. The driven equation describing an ( e, 3 e) process on helium in the framework of the Temkin-Poet model is solved numerically in the entire space (rather than in a finite region of space) using expansions on CQS basis functions. We show that quite rapid convergence of the solution expansion can be achieved by multiplying the basis functions by the logarithmic phase factor corresponding to the Coulomb electron-electron interaction.

Comparative Evaluation of Diagnostic Tools for Oxidative Deterioration of Polyunsaturated Fatty Acid-Enriched Infant Formulas during Storage

PubMed Central

Siefarth, Caroline; Serfert, Yvonne; Drusch, Stephan; Buettner, Andrea

2013-01-01

The challenge in the development of infant formulas enriched with polyunsaturated fatty acids (PUFAs) is to meet the consumers’ expectations with regard to high nutritional and sensory value. In particular, PUFAs may be prone to fatty acid oxidation that can generate potential rancid, metallic and/or fishy off-flavors. Although such off-flavors pose no health risk, they can nevertheless lead to rejection of products by consumers. Thus, monitoring autoxidation at its early stages is of great importance and finding a suitable analytical tool to perform these evaluations is therefore of high interest in quality monitoring. Two formulations of infant formulas were varied systematically in their mineral composition and their presence of antioxidants to produce 18 model formulas. All models were aged under controlled conditions and their oxidative deterioration was monitored. A quantitative study was performed on seven characteristic odor-active secondary oxidation products in the formulations via two-dimensional high resolution gas chromatography-mass spectrometry/olfactometry (2D-HRGC-MS/O). The sensitivity of the multi-dimensional GC-MS/O analysis was supported by two additional analytical tools for monitoring autoxidation, namely the analysis of lipid hydroperoxides and conjugated dienes. Furthermore, an aroma profile analysis (APA) was performed to reveal the presence and intensities of typical odor qualities generated in the course of fatty acid oxidation. The photometrical analyses of lipid hydroperoxides and conjugated dienes were found to be too insensitive for early indication of the development of sensory defects. By comparison, the 2D-HRGC-MS/O was capable of monitoring peroxidation of PUFAs at low ppb-level in its early stages. Thereby, it was possible to screen oxidative variances on the basis of such volatile markers already within eight weeks after production of the products, which is an earlier indication of oxidative deterioration than achievable via conventional methods. In detail, oxidative variances between the formulations revealed that lipid oxidation was low when copper was administered in an encapsulated form and when antioxidants (vitamin E, ascorbyl palmitate) were present. PMID:28234303

[Application characteristics and situation analysis of volatile oils in database of Chinese patent medicine].

PubMed

Wang, Sai-Jun; Wu, Zhen-Feng; Yang, Ming; Wang, Ya-Qi; Hu, Peng-Yi; Jie, Xiao-Lu; Han, Fei; Wang, Fang

2014-09-01

Aromatic traditional Chinese medicines have a long history in China, with wide varieties. Volatile oils are active ingredients extracted from aromatic herbal medicines, which usually contain tens or hundreds of ingredients, with many biological activities. Therefore, volatile oils are often used in combined prescriptions and made into various efficient preparations for oral administration or external use. Based on the sources from the database of Newly Edited National Chinese Traditional Patent Medicines (the second edition), the author selected 266 Chinese patent medicines containing volatile oils in this paper, and then established an information sheet covering such items as name, dosage, dosage form, specification and usage, and main functions. Subsequently, on the basis of the multidisciplinary knowledge of pharmaceutics, traditional Chinese pharmacology and basic theory of traditional Chinese medicine, efforts were also made in the statistics of the dosage form and usage, variety of volatile oils and main functions, as well as the status analysis on volatile oils in terms of the dosage form development, prescription development, drug instruction and quality control, in order to lay a foundation for the further exploration of the market development situations of volatile oils and the future development orientation.

Effect of hot air drying on volatile compounds of Flammulina velutipes detected by HS-SPME-GC-MS and electronic nose.

PubMed

Yang, Wenjian; Yu, Jie; Pei, Fei; Mariga, Alfred Mugambi; Ma, Ning; Fang, Yong; Hu, Qiuhui

2016-04-01

Volatile compounds are important factors that affect the flavor quality of Flammulina velutipes, but the changes occurring during hot air drying is still unclear. To clarify the dynamic changes of flavor components during hot air drying, comprehensive flavor characterization and volatile compounds of F. velutipes were evaluated using electronic nose technology and headspace solid phase micro-extraction combined with gas chromatography-mass spectrometry (HS-SPME-GC-MS), respectively. Results showed that volatile components in F. velutipes significantly changed during hot air drying according to the principal component analysis and radar fingerprint chart of electronic nose. Volatile compounds of fresh F. velutipes consisted mainly of ketones, aldehydes and alcohols, and 3-octanone was the dominant compound. Drying process could significantly decrease the relative content of ketones and promoted the generation of alcohols, acids, and esters, which became the main volatile compounds of dried F. velutipes. These may provide a theoretical basis for the formation mechanism of flavor substances in dried F. velutipes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterization of Morphology, Volatile Profiles, and Molecular Markers in Edible Desert Truffles from the Negev Desert.

PubMed

Kamle, Madhu; Bar, Einat; Lewinsohn, Dalia; Shavit, Elinoar; Roth-Bejerano, Nurit; Kagan-Zur, Varda; Barak, Ze'ev; Guy, Ofer; Zaady, Eli; Lewinsohn, Efraim; Sitrit, Yaron

2017-03-28

Desert truffles are mycorrhizal, hypogeous fungi considered a delicacy. On the basis of morphological characters, we identified three desert truffle species that grow in the same habitat in the Negev desert. These include Picoa lefebvrei (Pat.), Tirmania nivea (Desf.) Trappe, and Terfezia boudieri (Chatain), all associated with Helianthemum sessiliflorum. Their taxonomy was confirmed by PCR-RFLP. The main volatiles of fruit bodies of T. boudieri and T. nivea were 1-octen-3-ol and hexanal; however, volatiles of the latter species further included branched-chain amino acid derivatives such as 2-methylbutanal and 3-methylbutanal, phenylalanine derivatives such as benzaldehyde and benzenacetaldehyde, and methionine derivatives such as methional and dimethyl disulfide. The least aromatic truffle, P. lefebvrei, contained low levels of 1-octen-3-ol as the main volatile. Axenic mycelia cultures of T. boudieri displayed a simpler volatile profile compared to its fruit bodies. This work highlights differences in the volatile profiles of desert truffles and could hence be of interest for selecting and cultivating genotypes with the most likable aroma.

Gas chromatographic sulphur speciation in heavy crude oil using a modified standard D5623 method and microfluidic Deans switching.

PubMed

Heshka, Nicole E; Choy, Joanne M; Chen, Jinwen

2017-12-29

A modification to American Society for Testing and Materials (ASTM) method D5623 is proposed to enable successful and repeatable analysis of heavy crude oil samples. A two-dimensional gas chromatography configuration was implemented, with separation of sulphur compounds occurring on two columns. A Deans switch is used to enable heart-cutting of volatile sulphur compounds onto a DB-Sulfur stationary phase, and separation occurs concurrently with the backflushing of the primary column. The use of a sulphur-selective detector increases selectivity, and 22 volatile sulphur species are quantified in less than 15min, which is almost half the time of the original ASTM method. Samples ranging from light distillation cuts to whole crudes (boiling from 100°C to >750°C) were analyzed with minimal sample preparation. The calculated limit of detection was 0.7mg/kg, repeatability was 3% relative standard deviation (RSD), and a linear range of 1-250mg/kg was obtained, with an R 2 value of 0.994 or better, depending on the compound. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Investigation of the emissions and profiles of a wide range of VOCs during the Clean air for London project

NASA Astrophysics Data System (ADS)

Holmes, Rachel; Lidster, Richard; Hamilton, Jacqueline; Lee, James; Hopkins, James; Whalley, Lisa; Lewis, Alistair

2014-05-01

The majority of the World's population live in polluted urbanized areas. Poor air quality is shortening life expectancy of people in the UK by an average 7-8 months and costs society around £20 billion per year.[1] Despite this, our understanding of atmospheric processing in urban environments and its effect on air quality is incomplete. Air quality models are used to predict how air quality changes given different concentrations of pollution precursors, such as volatile organic compounds (VOCs). The urban environment of megacities pose a unique challenge for air quality measurements and modelling, due to high population densities, pollution levels and complex infrastructure. For over 60 years the air quality in London has been monitored, however the existing measurements are limited to a small group of compounds. In order to fully understand the chemical and physical processes that occur in London, more intensive and comprehensive measurements should be made. The Clean air for London (ClearfLo) project was conducted to investigate the air quality, in particular the boundary layer pollution, of London. A relatively new technique, comprehensive two dimensional gas chromatography (GC×GC) [2] was combined with a well-established dual channel GC (DC-GC) [3] system to provide a more comprehensive measurement of VOCs. A total of 78 individual VOCs (36 aliphatics, 19 monoaromatics, 21 oxygenated and 2 halogenated) and 10 groups of VOCs (8 aliphatic, 1 monoaromatic and 1 monoterpene) from C1-C13+ were quantified. Seasonal and diurnal profiles of these VOCs have been found which show the influence of emission source and chemical processing. Including these extra VOCs should enhance the prediction capability of air quality models thus informing policy makers on how to potentially improve air quality in megacities. References 1. House of Commons Environmental Audit Committee, Air Quality: A follow-up report, Ninth Report of session 2012-12. 2. Lidster, R.T., J.F. Hamilton, and A.C. Lewis, The application of two total transfer valve modulators for comprehensive two-dimensional gas chromatography of volatile organic compounds. Journal of Separation Science, 2011. 34(7): p. 812-821. 3. Hopkins, J.R., C.E. Jones, and A.C. Lewis, A dual channel gas chromatograph for atmospheric analysis of volatile organic compounds including oxygenated and monoterpene compounds. Journal of Environmental Monitoring, 2011. 13(8): p. 2268-2276.

Combination of large and small basis sets in electronic structure calculations on large systems

NASA Astrophysics Data System (ADS)

Røeggen, Inge; Gao, Bin

2018-04-01

Two basis sets—a large and a small one—are associated with each nucleus of the system. Each atom has its own separate one-electron basis comprising the large basis set of the atom in question and the small basis sets for the partner atoms in the complex. The perturbed atoms in molecules and solids model is at core of the approach since it allows for the definition of perturbed atoms in a system. It is argued that this basis set approach should be particularly useful for periodic systems. Test calculations are performed on one-dimensional arrays of H and Li atoms. The ground-state energy per atom in the linear H array is determined versus bond length.

Existence and construction of Galilean invariant z ≠2 theories

NASA Astrophysics Data System (ADS)

Grinstein, Benjamín; Pal, Sridip

2018-06-01

We prove a no-go theorem for the construction of a Galilean boost invariant and z ≠2 anisotropic scale invariant field theory with a finite dimensional basis of fields. Two point correlators in such theories, we show, grow unboundedly with spatial separation. Correlators of theories with an infinite dimensional basis of fields, for example, labeled by a continuous parameter, do not necessarily exhibit this bad behavior. Hence, such theories behave effectively as if in one extra dimension. Embedding the symmetry algebra into the conformal algebra of one higher dimension also reveals the existence of an internal continuous parameter. Consideration of isometries shows that the nonrelativistic holographic picture assumes a canonical form, where the bulk gravitational theory lives in a space-time with one extra dimension. This can be contrasted with the original proposal by Balasubramanian and McGreevy, and by Son, where the metric of a (d +2 )-dimensional space-time is proposed to be dual of a d -dimensional field theory. We provide explicit examples of theories living at fixed point with anisotropic scaling exponent z =2/ℓ ℓ+1 , ℓ∈Z .

Approximation methods of European option pricing in multiscale stochastic volatility model

NASA Astrophysics Data System (ADS)

Ni, Ying; Canhanga, Betuel; Malyarenko, Anatoliy; Silvestrov, Sergei

2017-01-01

In the classical Black-Scholes model for financial option pricing, the asset price follows a geometric Brownian motion with constant volatility. Empirical findings such as volatility smile/skew, fat-tailed asset return distributions have suggested that the constant volatility assumption might not be realistic. A general stochastic volatility model, e.g. Heston model, GARCH model and SABR volatility model, in which the variance/volatility itself follows typically a mean-reverting stochastic process, has shown to be superior in terms of capturing the empirical facts. However in order to capture more features of the volatility smile a two-factor, of double Heston type, stochastic volatility model is more useful as shown in Christoffersen, Heston and Jacobs [12]. We consider one modified form of such two-factor volatility models in which the volatility has multiscale mean-reversion rates. Our model contains two mean-reverting volatility processes with a fast and a slow reverting rate respectively. We consider the European option pricing problem under one type of the multiscale stochastic volatility model where the two volatility processes act as independent factors in the asset price process. The novelty in this paper is an approximating analytical solution using asymptotic expansion method which extends the authors earlier research in Canhanga et al. [5, 6]. In addition we propose a numerical approximating solution using Monte-Carlo simulation. For completeness and for comparison we also implement the semi-analytical solution by Chiarella and Ziveyi [11] using method of characteristics, Fourier and bivariate Laplace transforms.

A stock market forecasting model combining two-directional two-dimensional principal component analysis and radial basis function neural network.

PubMed

Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J

2015-01-01

In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron.

A Stock Market Forecasting Model Combining Two-Directional Two-Dimensional Principal Component Analysis and Radial Basis Function Neural Network

PubMed Central

Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J.

2015-01-01

In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron. PMID:25849483

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.

Direct determination approach for the multifractal detrending moving average analysis

NASA Astrophysics Data System (ADS)

Xu, Hai-Chuan; Gu, Gao-Feng; Zhou, Wei-Xing

2017-11-01

In the canonical framework, we propose an alternative approach for the multifractal analysis based on the detrending moving average method (MF-DMA). We define a canonical measure such that the multifractal mass exponent τ (q ) is related to the partition function and the multifractal spectrum f (α ) can be directly determined. The performances of the direct determination approach and the traditional approach of the MF-DMA are compared based on three synthetic multifractal and monofractal measures generated from the one-dimensional p -model, the two-dimensional p -model, and the fractional Brownian motions. We find that both approaches have comparable performances to unveil the fractal and multifractal nature. In other words, without loss of accuracy, the multifractal spectrum f (α ) can be directly determined using the new approach with less computation cost. We also apply the new MF-DMA approach to the volatility time series of stock prices and confirm the presence of multifractality.

Two- and Three-Dimensional Probes of Parity in Primordial Gravity Waves.

PubMed

Masui, Kiyoshi Wesley; Pen, Ue-Li; Turok, Neil

2017-06-02

We show that three-dimensional information is critical to discerning the effects of parity violation in the primordial gravity-wave background. If present, helical gravity waves induce parity-violating correlations in the cosmic microwave background (CMB) between parity-odd polarization B modes and parity-even temperature anisotropies (T) or polarization E modes. Unfortunately, EB correlations are much weaker than would be naively expected, which we show is due to an approximate symmetry resulting from the two-dimensional nature of the CMB. The detectability of parity-violating correlations is exacerbated by the fact that the handedness of individual modes cannot be discerned in the two-dimensional CMB, leading to a noise contribution from scalar matter perturbations. In contrast, the tidal imprints of primordial gravity waves fossilized into the large-scale structure of the Universe are a three-dimensional probe of parity violation. Using such fossils the handedness of gravity waves may be determined on a mode-by-mode basis, permitting future surveys to probe helicity at the percent level if the amplitude of primordial gravity waves is near current observational upper limits.

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

Goldstein, A. H.; Yee, L. D.; Issacman-VanWertz, G.

In areas where biogenic emissions are oxidized in the presence of anthropogenic pollutants such as SO2, NOx, and black carbon, it has become increasingly apparent that secondary organic aerosol (SOA) formation from biogenic volatile organic compounds (VOCs) is substantially enhanced. Research is urgently needed to elucidate fundamental processes of natural and anthropogenically influenced VOC oxidation and the contribution of these processes to SOA formation. GoAmazon 2014/15 afforded study of the chemical transformations in the region downwind of Manaus, Brazil, where local biogenic VOC emissions are high, and their chemical oxidation can be studied both inside and outside of the urbanmore » plume to differentiate the role of anthropogenic influence on secondary aerosol formation during oxidation of these natural VOC emissions. To understand the connection between primary biogenic VOC emissions and their secondary products that form aerosols, we made time-resolved molecular level measurements by deploying a Semi-Volatile Thermal Desorption Aerosol Gas Chromatograph (SV-TAG) and a sequential filter sampler during two intensive operational periods (IOPs) of the GoAmazon 2014/15 field campaign. The SV-TAG measured semi-volatile organic compounds in both the gas and particle phases and the sequential filter sampler collected aerosols on quartz fiber filters in four-hour increments used for offline analysis. SV-TAG employed novel online derivatization that provided chemical speciation of highly oxygenated or functionalized compounds that comprise a substantial fraction of secondary organic aerosols, yet are poorly characterized. It also provided partitioning of these compounds between the vapor and particle phases at sufficient time resolution to define the importance of competing atmospheric processes. These measurements were supported by offline analysis of the filters using two-dimensional gas chromatography (GC x GC) with high-resolution time-of-flight mass spectrometry (HR-TOF-MS) using both electron impact (EI) and soft vacuum ultraviolet (VUV) ionization with derivatization. Speciated chemical data from SV-TAG and filter measurements were used to elucidate the relative importance of potential oxidation pathways by providing detailed information on the product distribution from atmospheric reactions and the quantification of known tracers for various oxidation pathways. Together, these techniques provided unequivocal molecular identification of a wide range of atmospheric organic compounds spanning the volatile, semi-volatile, and non-volatile phases. This level of chemical characterization provided insight into the chemical and physical processes that control the atmospheric oxidation of biogenic VOC and subsequent formation of SOA.« less

The Distribution of Ice in Lunar Permanently Shadowed Regions: Science Enabling Exploration (Invited)

NASA Astrophysics Data System (ADS)

Hurley, D.; Elphic, R. C.; Bussey, B.; Hibbitts, C.; Lawrence, D. J.

2013-12-01

Recent prospecting indicates that water ice occurs in enhanced abundances in some lunar PSRs. That water constitutes a resource that enables lunar exploration if it can be harvested for fuel and life support. Future lunar exploration missions will need detailed information about the distribution of volatiles in lunar permanently shadowed regions (PSRs). In addition, the volatiles also offer key insights into the recent and distant past, as they have trapped volatiles delivered to the moon over ~2 Gyr. This comprises an unparalleled reservoir of past inner solar system volatiles, and future scientific missions are needed to make the measurements that will reveal the composition of those volatiles. These scientific missions will necessarily have to acquire and analyze samples of volatiles from the PSRs. For both exploration and scientific purposes, the precise location of volatiles will need to be known. However, data indicate that ice is distributed heterogeneously on the Moon. It is unlikely that the distribution will be known a priori with enough spatial resolution to guarantee access to volatiles using a single point sample. Some mechanism for laterally or vertically distributed access will increase the likelihood of acquiring a rich sample of volatiles. Trade studies will need to be conducted to anticipate the necessary range and duration of missions to lunar PSRs that will be needed to accomplish the mission objectives. We examine the spatial distribution of volatiles in lunar PSRs reported from data analyses and couple those with models of smaller scale processes. FUV and laser data from PSRs that indicate the average surface distribution is consistent with low abundances on the extreme surface in most PSRs. Neutron and radar data that probe the distribution at depth show heterogeneity at broad spatial resolution. We consider those data in conjunction with the model to understand the full, 3-D nature of the heterogeneity. A Monte Carlo technique simulates the stochastic process of impact gardening on a putative ice deposit. The model uses the crater production function as a basis for generating a random selection of impact craters over time. Impacts are implemented by modifying the topography, volatile content, and depth distribution in the simulation volume on a case by case basis. This technique will never be able to reproduce the exact impact history of a particular area. But by conducting multiple runs with the same initial conditions and a different seed to the random number generator, we are able to calculate the probability of situations occurring. Further, by repeating the simulations with varied initial conditions, we calculate the dependence of the expectation values on the inputs. We present findings regarding the heterogeneity of volatiles in PSRs as a function of age, initial ice thickness, and contributions from steady sources.

Bayesian approach for peak detection in two-dimensional chromatography.

PubMed

Vivó-Truyols, Gabriel

2012-03-20

A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual one-dimensional peaks have been originated from the same compound and should then be arranged in a two-dimensional peak. The merging algorithm is based on Bayesian inference. The user sets prior information about certain parameters (e.g., second-dimension retention time variability, first-dimension band broadening, chromatographic noise). On the basis of these priors, the algorithm calculates the probability of myriads of peak arrangements (i.e., ways of merging one-dimensional peaks), finding which of them holds the highest value. Uncertainty in each parameter can be accounted by adapting conveniently its probability distribution function, which in turn may change the final decision of the most probable peak arrangement. It has been demonstrated that the Bayesian approach presented in this paper follows the chromatographers' intuition. The algorithm has been applied and tested with LC × LC and GC × GC data and takes around 1 min to process chromatograms with several thousands of peaks.

Generation Algorithm of Discrete Line in Multi-Dimensional Grids

NASA Astrophysics Data System (ADS)

Du, L.; Ben, J.; Li, Y.; Wang, R.

2017-09-01

Discrete Global Grids System (DGGS) is a kind of digital multi-resolution earth reference model, in terms of structure, it is conducive to the geographical spatial big data integration and mining. Vector is one of the important types of spatial data, only by discretization, can it be applied in grids system to make process and analysis. Based on the some constraint conditions, this paper put forward a strict definition of discrete lines, building a mathematic model of the discrete lines by base vectors combination method. Transforming mesh discrete lines issue in n-dimensional grids into the issue of optimal deviated path in n-minus-one dimension using hyperplane, which, therefore realizing dimension reduction process in the expression of mesh discrete lines. On this basis, we designed a simple and efficient algorithm for dimension reduction and generation of the discrete lines. The experimental results show that our algorithm not only can be applied in the two-dimensional rectangular grid, also can be applied in the two-dimensional hexagonal grid and the three-dimensional cubic grid. Meanwhile, when our algorithm is applied in two-dimensional rectangular grid, it can get a discrete line which is more similar to the line in the Euclidean space.

Hawking radiation as tunneling from squashed Kaluza-Klein black hole

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

Matsuno, Ken; Umetsu, Koichiro

2011-03-15

We discuss Hawking radiation from a five-dimensional squashed Kaluza-Klein black hole on the basis of the tunneling mechanism. A simple method, which was recently suggested by Umetsu, may be used to extend the original derivation by Parikh and Wilczek to various black holes. That is, we use the two-dimensional effective metric, which is obtained by the dimensional reduction near the horizon, as the background metric. Using the same method, we derive both the desired result of the Hawking temperature and the effect of the backreaction associated with the radiation in the squashed Kaluza-Klein black hole background.

Quality Control of Laser-Beam-Melted Parts by a Correlation Between Their Mechanical Properties and a Three-Dimensional Surface Analysis

NASA Astrophysics Data System (ADS)

Grimm, T.; Wiora, G.; Witt, G.

2017-03-01

Good correlations between three-dimensional surface analyses of laser-beam-melted parts of nickel alloy HX and their mechanical properties were found. The surface analyses were performed with a confocal microscope, which offers a more profound surface data basis than a conventional, two-dimensional tactile profilometry. This new approach results in a wide range of three-dimensional surface parameters, which were each evaluated with respect to their feasibility for quality control in additive manufacturing. As a result of an automated surface analysis process by the confocal microscope and an industrial six-axis robot, the results are an innovative approach for quality control in additive manufacturing.

ASTROP2-LE: A Mistuned Aeroelastic Analysis System Based on a Two Dimensional Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Srivastava, R.; Mehmed, Oral

2002-01-01

An aeroelastic analysis system for flutter and forced response analysis of turbomachines based on a two-dimensional linearized unsteady Euler solver has been developed. The ASTROP2 code, an aeroelastic stability analysis program for turbomachinery, was used as a basis for this development. The ASTROP2 code uses strip theory to couple a two dimensional aerodynamic model with a three dimensional structural model. The code was modified to include forced response capability. The formulation was also modified to include aeroelastic analysis with mistuning. A linearized unsteady Euler solver, LINFLX2D is added to model the unsteady aerodynamics in ASTROP2. By calculating the unsteady aerodynamic loads using LINFLX2D, it is possible to include the effects of transonic flow on flutter and forced response in the analysis. The stability is inferred from an eigenvalue analysis. The revised code, ASTROP2-LE for ASTROP2 code using Linearized Euler aerodynamics, is validated by comparing the predictions with those obtained using linear unsteady aerodynamic solutions.

The load separation technique in the elastic-plastic fracture analysis of two- and three-dimensional geometries

NASA Technical Reports Server (NTRS)

Sharobeam, Monir H.

1994-01-01

Load separation is the representation of the load in the test records of geometries containing cracks as a multiplication of two separate functions: a crack geometry function and a material deformation function. Load separation is demonstrated in the test records of several two-dimensional geometries such as compact tension geometry, single edge notched bend geometry, and center cracked tension geometry and three-dimensional geometries such as semi-elliptical surface crack. The role of load separation in the evaluation of the fracture parameter J-integral and the associated factor eta for two-dimensional geometries is discussed. The paper also discusses the theoretical basis and the procedure for using load separation as a simplified yet accurate approach for plastic J evaluation in semi-elliptical surface crack which is a three-dimensional geometry. The experimental evaluation of J, and particularly J(sub pl), for three-dimensional geometries is very challenging. A few approaches have been developed in this regard and they are either complex or very approximate. The paper also presents the load separation as a mean to identify the blunting and crack growth regions in the experimental test records of precracked specimens. Finally, load separation as a methodology in elastic-plastic fracture mechanics is presented.

Characterization of potential transport pathways and implications for groundwater management near an anticline in the Central Basin area, Los Angeles County, California

USGS Publications Warehouse

Ponti, Daniel J.; Wagner, Brian J.; Land, Michael; Landon, Matthew K.

2014-01-01

The Central Groundwater Basin (Central Basin) of southern Los Angeles County includes ~280 mi2 of the Los Angeles Coastal Plain and serves as the primary source of water for more than two million residents. In the Santa Fe Springs–Whittier–Norwalk area, located in the northeastern part of the basin, several sources of volatile organic compounds have been identified. The volatile organic compunds are thought to have contributed to a large, commingled contaminant plume in groundwater that extends south-southwest downgradient from the Omega Chemical Corporation Superfund Site across folded geologic strata, known as the Santa Fe Springs Anticline. A multifaceted study—that incorporated a three-dimensional sequence-stratigraphic geologic model, two-dimensional groundwater particle-tracking simulations, and new groundwater chemistry data—was conducted to gain insight into the geologic and hydrologic controls on contaminant migration in the study area and to assess the potential for this shallow groundwater contamination to migrate into producing aquifer zones. Conceptual flow models were developed along a flow-parallel cross section based on the modeled stratigraphic architecture, observed geochemistry, and numerical model simulations that generally agree with observed water levels and contaminant distributions. These models predict that contaminants introduced into groundwater at shallow depths near the Omega Chemical Corporation Superfund Site and along the study cross section will likely migrate downgradient to depths intercepted by public supply wells. These conclusions, however, are subject to limitations and simplifications inherent in the modeling approaches used, as well as a significant scarcity of available geologic and hydrogeochemical information at depth and in the downgradient parts of the study area.

Advanced method optimization for volatile aroma profiling of beer using two-dimensional gas chromatography time-of-flight mass spectrometry.

PubMed

Stefanuto, Pierre-Hugues; Perrault, Katelynn A; Dubois, Lena M; L'Homme, Benjamin; Allen, Catherine; Loughnane, Caitriona; Ochiai, Nobuo; Focant, Jean-François

2017-07-21

The complex mixture of volatile organic compounds (VOCs) present in the headspace of Trappist and craft beers was studied to illustrate the efficiency of thermal desorption (TD) comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) for highlighting subtle differences between highly complex mixtures of VOCs. Headspace solid-phase microextraction (HS-SPME), multiple (and classical) stir bar sorptive extraction (mSBSE), static headspace (SHS), and dynamic headspace (DHS) were compared for the extraction of a set of 21 representative flavor compounds of beer aroma. A Box-Behnken surface response methodology experimental design optimization (DOE) was used for convex hull calculation (Delaunay's triangulation algorithms) of peak dispersion in the chromatographic space. The predicted value of 0.5 for the ratio between the convex hull and the available space was 10% higher than the experimental value, demonstrating the usefulness of the approach to improve optimization of the GC×GC separation. Chemical variations amongst aligned chromatograms were studied by means of Fisher Ratio (FR) determination and F-distribution threshold filtration at different significance levels (α=0.05 and 0.01) and based on z-score normalized area for data reduction. Statistically significant compounds were highlighted following principal component analysis (PCA) and hierarchical cluster analysis (HCA). The dendrogram structure not only provided clear visual information about similarities between products but also permitted direct identification of the chemicals and their relative weight in clustering. The effective coupling of DHS-TD-GC×GC-TOFMS with PCA and HCA was able to highlight the differences and common typical VOC patterns among 24 samples of different Trappist and selected Canadian craft beers. Copyright © 2017 Elsevier B.V. All rights reserved.

Two-dimensional on-line detection of brominated and iodinated volatile organic compounds by ECD and ICP-MS after GC separation.

PubMed

Schwarz, A; Heumann, K G

2002-09-01

Inductively coupled plasma-mass spectrometry (ICP-MS) was coupled to a gas chromatographic (GC) system with electron capture detector (ECD), which enables relatively easy characterization and quantification of brominated and iodinated (halogenated) volatile organic compounds (HVOCs) in aquatic and air samples. The GC-ECD system is connected in series with an ICP-MS by a directly heated transfer line and an outlet port-hole for elimination of the ECD make-up gas during ignition of the plasma. The hyphenated GC-ECD/ICP-MS system provides high selectivity and sensitivity for monitoring individual HVOCs under fast chromatographic conditions. The ECD is most sensitive for the detection of chlorinated and brominated but the ICP-MS for iodinated compounds. The greatest advantage of the use of an ICP-MS is its element-specific detection, which allows clear identification of compounds in most cases. The absolute detection limits for ICP-MS are 0.5 pg for iodinated, 10 pg for brominated, and 50 pg for chlorinated HVOCs with the additional advantage that calibration is almost independent on different compounds of the same halogen. In contrast to that detection limits for ECD vary for the different halogenated compounds and lie in the range of 0.03-11 pg. The two-dimensional GC-ECD/ICP-MS instrumentation is compared with electron impact mass spectrometry (EI-MS) and microwave induced plasma atomic emission detection (MIP-AED). Even if EI-MS has additional power in identifying unknown peaks by its scan mode, the detection limits are much higher compared with GC-ECD/ICP-MS, whereas the selective ion monitoring mode (SIM) reaches similar detection limits. The MIP-AED detection limits are at the same level as EI-MS in the scan mode.

Transient Receptor Potential Channels Encode Volatile Chemicals Sensed by Rat Trigeminal Ganglion Neurons

PubMed Central

Schöbel, Nicole; Beltrán, Leopoldo; Wetzel, Christian Horst; Hatt, Hanns

2013-01-01

Primary sensory afferents of the dorsal root and trigeminal ganglia constantly transmit sensory information depicting the individual’s physical and chemical environment to higher brain regions. Beyond the typical trigeminal stimuli (e.g. irritants), environmental stimuli comprise a plethora of volatile chemicals with olfactory components (odorants). In spite of a complete loss of their sense of smell, anosmic patients may retain the ability to roughly discriminate between different volatile compounds. While the detailed mechanisms remain elusive, sensory structures belonging to the trigeminal system seem to be responsible for this phenomenon. In order to gain a better understanding of the mechanisms underlying the activation of the trigeminal system by volatile chemicals, we investigated odorant-induced membrane potential changes in cultured rat trigeminal neurons induced by the odorants vanillin, heliotropyl acetone, helional, and geraniol. We observed the dose-dependent depolarization of trigeminal neurons upon application of these substances occurring in a stimulus-specific manner and could show that distinct neuronal populations respond to different odorants. Using specific antagonists, we found evidence that TRPA1, TRPM8, and/or TRPV1 contribute to the activation. In order to further test this hypothesis, we used recombinantly expressed rat and human variants of these channels to investigate whether they are indeed activated by the odorants tested. We additionally found that the odorants dose-dependently inhibit two-pore potassium channels TASK1 and TASK3 heterologously expressed In Xenopus laevis oocytes. We suggest that the capability of various odorants to activate different TRP channels and to inhibit potassium channels causes neuronal depolarization and activation of distinct subpopulations of trigeminal sensory neurons, forming the basis for a specific representation of volatile chemicals in the trigeminal ganglia. PMID:24205061

Discriminant projective non-negative matrix factorization.

PubMed

Guan, Naiyang; Zhang, Xiang; Luo, Zhigang; Tao, Dacheng; Yang, Xuejun

2013-01-01

Projective non-negative matrix factorization (PNMF) projects high-dimensional non-negative examples X onto a lower-dimensional subspace spanned by a non-negative basis W and considers W(T) X as their coefficients, i.e., X≈WW(T) X. Since PNMF learns the natural parts-based representation Wof X, it has been widely used in many fields such as pattern recognition and computer vision. However, PNMF does not perform well in classification tasks because it completely ignores the label information of the dataset. This paper proposes a Discriminant PNMF method (DPNMF) to overcome this deficiency. In particular, DPNMF exploits Fisher's criterion to PNMF for utilizing the label information. Similar to PNMF, DPNMF learns a single non-negative basis matrix and needs less computational burden than NMF. In contrast to PNMF, DPNMF maximizes the distance between centers of any two classes of examples meanwhile minimizes the distance between any two examples of the same class in the lower-dimensional subspace and thus has more discriminant power. We develop a multiplicative update rule to solve DPNMF and prove its convergence. Experimental results on four popular face image datasets confirm its effectiveness comparing with the representative NMF and PNMF algorithms.

Discriminant Projective Non-Negative Matrix Factorization

PubMed Central

Guan, Naiyang; Zhang, Xiang; Luo, Zhigang; Tao, Dacheng; Yang, Xuejun

2013-01-01

Projective non-negative matrix factorization (PNMF) projects high-dimensional non-negative examples X onto a lower-dimensional subspace spanned by a non-negative basis W and considers WT X as their coefficients, i.e., X≈WWT X. Since PNMF learns the natural parts-based representation Wof X, it has been widely used in many fields such as pattern recognition and computer vision. However, PNMF does not perform well in classification tasks because it completely ignores the label information of the dataset. This paper proposes a Discriminant PNMF method (DPNMF) to overcome this deficiency. In particular, DPNMF exploits Fisher's criterion to PNMF for utilizing the label information. Similar to PNMF, DPNMF learns a single non-negative basis matrix and needs less computational burden than NMF. In contrast to PNMF, DPNMF maximizes the distance between centers of any two classes of examples meanwhile minimizes the distance between any two examples of the same class in the lower-dimensional subspace and thus has more discriminant power. We develop a multiplicative update rule to solve DPNMF and prove its convergence. Experimental results on four popular face image datasets confirm its effectiveness comparing with the representative NMF and PNMF algorithms. PMID:24376680

Volatile components of vine leaves from two Portuguese grape varieties (Vitis vinifera L.), Touriga Nacional and Tinta Roriz, analysed by solid-phase microextraction.

PubMed

Fernandes, Bruno; Correia, Ana C; Cosme, Fernanda; Nunes, Fernando M; Jordão, António M

2015-01-01

The purpose of this work was to study the volatile composition of vine leaves and vine leaf infusion prepared from vine leaves collected at 30 and 60 days after grape harvest of two Vitis vinifera L. species. Eighteen volatile compounds were identified by gas chromatography-mass spectrometry in vine leaves and in vine leaf infusions. It was observed that the volatile compounds present in vine leaves are dependent on the time of harvest, with benzaldehyde being the major volatile present in vine leaves collected at 30 days after harvesting. There are significant differences in the volatile composition of the leaves from the two grape cultivars, especially in the sample collected at 60 days after grape harvest. This is not reflected in the volatile composition of the vine leaf infusion made from this two cultivars, the more important being the harvesting date for the volatile profile of vine leaf infusion than the vine leaves grape cultivar.

Realized volatility and absolute return volatility: a comparison indicating market risk.

PubMed

Zheng, Zeyu; Qiao, Zhi; Takaishi, Tetsuya; Stanley, H Eugene; Li, Baowen

2014-01-01

Measuring volatility in financial markets is a primary challenge in the theory and practice of risk management and is essential when developing investment strategies. Although the vast literature on the topic describes many different models, two nonparametric measurements have emerged and received wide use over the past decade: realized volatility and absolute return volatility. The former is strongly favored in the financial sector and the latter by econophysicists. We examine the memory and clustering features of these two methods and find that both enable strong predictions. We compare the two in detail and find that although realized volatility has a better short-term effect that allows predictions of near-future market behavior, absolute return volatility is easier to calculate and, as a risk indicator, has approximately the same sensitivity as realized volatility. Our detailed empirical analysis yields valuable guidelines for both researchers and market participants because it provides a significantly clearer comparison of the strengths and weaknesses of the two methods.

Realized Volatility and Absolute Return Volatility: A Comparison Indicating Market Risk

PubMed Central

Takaishi, Tetsuya; Stanley, H. Eugene; Li, Baowen

2014-01-01

Measuring volatility in financial markets is a primary challenge in the theory and practice of risk management and is essential when developing investment strategies. Although the vast literature on the topic describes many different models, two nonparametric measurements have emerged and received wide use over the past decade: realized volatility and absolute return volatility. The former is strongly favored in the financial sector and the latter by econophysicists. We examine the memory and clustering features of these two methods and find that both enable strong predictions. We compare the two in detail and find that although realized volatility has a better short-term effect that allows predictions of near-future market behavior, absolute return volatility is easier to calculate and, as a risk indicator, has approximately the same sensitivity as realized volatility. Our detailed empirical analysis yields valuable guidelines for both researchers and market participants because it provides a significantly clearer comparison of the strengths and weaknesses of the two methods. PMID:25054439

Novel two-way artificial boundary condition for 2D vertical water wave propagation modelled with Radial-Basis-Function Collocation Method

NASA Astrophysics Data System (ADS)

Mueller, A.

2018-04-01

A new transparent artificial boundary condition for the two-dimensional (vertical) (2DV) free surface water wave propagation modelled using the meshless Radial-Basis-Function Collocation Method (RBFCM) as boundary-only solution is derived. The two-way artificial boundary condition (2wABC) works as pure incidence, pure radiation and as combined incidence/radiation BC. In this work the 2wABC is applied to harmonic linear water waves; its performance is tested against the analytical solution for wave propagation over horizontal sea bottom, standing and partially standing wave as well as wave interference of waves with different periods.

The dimension split element-free Galerkin method for three-dimensional potential problems

NASA Astrophysics Data System (ADS)

Meng, Z. J.; Cheng, H.; Ma, L. D.; Cheng, Y. M.

2018-06-01

This paper presents the dimension split element-free Galerkin (DSEFG) method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares (IMLS) approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

Dynamical behaviors of inter-out-of-equilibrium state intervals in Korean futures exchange markets

NASA Astrophysics Data System (ADS)

Lim, Gyuchang; Kim, SooYong; Kim, Kyungsik; Lee, Dong-In; Scalas, Enrico

2008-05-01

A recently discovered feature of financial markets, the two-phase phenomenon, is utilized to categorize a financial time series into two phases, namely equilibrium and out-of-equilibrium states. For out-of-equilibrium states, we analyze the time intervals at which the state is revisited. The power-law distribution of inter-out-of-equilibrium state intervals is shown and we present an analogy with discrete-time heat bath dynamics, similar to random Ising systems. In the mean-field approximation, this model reduces to a one-dimensional multiplicative process. By varying global and local model parameters, the relevance between volatilities in financial markets and the interaction strengths between agents in the Ising model are investigated and discussed.

Identification Of Geographical Origin Of Coffee Before And After Roasting By Electronic Noses

NASA Astrophysics Data System (ADS)

Sberveglieri, V.; Concina, I.; Falasconi, M.; Ongo, E.; Pulvirenti, A.; Fava, P.

2011-09-01

Geographical origin traceability of food is a relevant issue for both producers' business protection and customers' rights safeguard. Differentiation of coffees on the basis of geographical origin is still a challenging issue, though possible by means of chemical techniques [1]. Between the most widely consumed beverage, coffee is a valuable one, with an aroma constituted by hundreds of volatiles [2]. Since the final global volatile composition is also determined by the cultivation climatic conditions, Electronic Noses (ENs) could be interesting candidates for distinguishing the geographical provenience by exploiting differences in chemical volatile profile. The present investigation is directed toward the characterization of green and roasted coffees samples according to their geographical origin.

Investigation of the impact of higher molecular weight organics on OH reactivity in London

NASA Astrophysics Data System (ADS)

Holmes, Rachel; Hamilton, Jacqueline; Hopkins, Jimmy; Lee, James; Lidster, Richard; Lewis, Alistair

2014-05-01

Volatile organic compounds (VOCs) play an important role in the formation of pollution in the air, particularly in the boundary layer of the atmosphere. VOCs in an urban atmosphere react with radical species to form ozone (O3), which at ground levels can pose a significant threat to health.[1] Air quality models have been developed to predict the effect of emissions on air quality. Numerous studies of urban environments show discrepancies between measured and predicted estimates of the lifetime of OH radicals. One possibility is that the magnitude of VOCs as a sink for reactive species is underestimated in models, including unmeasured and larger aromatic species. To study some of these additional compounds we have developed a method using comprehensive two dimensional gas chromatography coupled to a flame ionisation detector (GC×GC-FID). GC×GC is a hyphenated technique where two columns are coupled together via a modulator, providing two discrete separations of each species based on boiling point and polarity.[2] This provides a high resolution method, with increased separation power and improved peak capacity when compared to many single column systems.[3] This technique was used in conjunction with a dual channel GC (DC-GC) during the Clean Air for London (ClearfLo) project to increase the speciation of the complex air matrix. Target compounds were in the range C1 to C13+ VOCs, including oxygenates, aromatics, saturated and unsaturated aliphatics. Calculations of the pseudo first order OH reactivity indicates that higher carbon number VOCs may account for some of the missing OH sinks in comparison to emission inventory estimates. During summer measurements the role of biogenic VOCs increases, with isoprene and monoterpenes acting as important OH sinks. Including these should enhance the prediction capability of air quality models. This can then lead to the introduction of new policies for the reduction of pollution precursors and hopefully result in improved air quality. References 1. Atkinson, R., Atmospheric chemistry of VOCs and NOx. Atmospheric Environment, 2000. 34(12-14): p. 2063-2101. 2. Hamilton, J.F., Using Comprehensive Two-Dimensional Gas Chromatography to Study the Atmosphere. Journal of Chromatographic Science, 2010. 48(4): p. 274-. 3. Lidster, R.T., J.F. Hamilton, and A.C. Lewis, The application of two total transfer valve modulators for comprehensive two-dimensional gas chromatography of volatile organic compounds. Journal of Separation Science, 2011. 34(7): p. 812-821.

Fabrication and properties of nanoscale multiferroic heterostructures for application in magneto-electric random access memory (MERAM) devices

NASA Astrophysics Data System (ADS)

Kim, Gunwoo

Magnetoelectric random access memory (MERAM) has emerged as a promising new class of non-volatile solid-state memory device. It offers nondestructive reading along with low power consumption during the write operation. A common implementation of MERAM involves use of multiferroic tunneling junctions (MFTJs), which besides offering non-volatility are both electrically and magnetically tunable. Fundamentally, a MFTJ consists of a heterostructure of an ultrathin multiferroic or ferroelectric material as the active tunneling barrier sandwiched between ferromagnetic electrodes. Thereby, the MFTJ exhibits both tunnel electroresistance (TER) and tunnel magnetoresistance (TMR) effects with application of an electric and magnetic field, respectively. In this thesis work, we have developed two-dimensional (2D) thin-film multiferroic heterostructure METJ prototypes consisting of ultrathin ferroelectric BaTiO3 (BTO) layer and a conducting ferromagnetic La0.67Sr 0.33MnO3 (LSMO) electrode. The heteroepitaxial films are grown using the pulsed laser deposition (PLD) technique. This oxide heterostructure offers the opportunity to study the nano-scale details of the tunnel electroresistance (TER) effect using scanning probe microscopy techniques. We performed the measurements using the MFP-3D (Asylum Research) scanning probe microscope. The ultrathin BTO films (1.2-2.0 nm) grown on LSMO electrodes display both ferro- and piezo-electric properties and exhibit large tunnel resistance effect. We have explored the growth and properties of one-dimensional (1D) heterostructures, referred to as multiferoric nanowire (NW) heterostructures. The ferromagnetic/ferroelectric composite heterostructures are grown as sheath layers using PLD on lattice-matched template NWs, e.g. MgO, that are deposited by chemical vapor deposition utilizing the vapor-liquid-solid (VLS) mechanism. The one-dimensional geometry can substantially overcome the clamping effect of the substrate present in two-dimensional structures because of the reduced volume of the template. This leads to minimum constraint of displacements at the interface and thereby significantly enhances the magnetoelectric (ME) effect. We characterized the nanostructures using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results of our studies utilizing multiferroic 2-D thin films and 1-D NW architectures clearly demonstrate the potential of these heterostructures for future device applications, such as in MERAM, data storage, magneto-electric field sensors, etc.

Toward a definition of blueprint of virgin olive oil by comprehensive two-dimensional gas chromatography.

PubMed

Purcaro, Giorgia; Cordero, Chiara; Liberto, Erica; Bicchi, Carlo; Conte, Lanfranco S

2014-03-21

This study investigates the applicability of an iterative approach aimed at defining a chemical blueprint of virgin olive oil volatiles to be correlated to the product sensory quality. The investigation strategy proposed allows to fully exploit the informative content of a comprehensive multidimensional gas chromatography (GC×GC) coupled to a mass spectrometry (MS) data set. Olive oil samples (19), including 5 reference standards, obtained from the International Olive Oil Council, and commercial samples, were submitted to a sensory evaluation by a Panel test, before being analyzed in two laboratories using different instrumentation, column set, and software elaboration packages in view of a cross-validation of the entire methodology. A first classification of samples based on untargeted peak features information, was obtained on raw data from two different column combinations (apolar×polar and polar×apolar) by applying unsupervised multivariate analysis (i.e., principal component analysis-PCA). However, to improve effectiveness and specificity of this classification, peak features were reliably identified (261 compounds), on the basis of the MS spectrum and linear retention index matching, and subjected to successive pair-wise comparisons based on 2D patterns, which revealed peculiar distribution of chemicals correlated with samples sensory classification. The most informative compounds were thus identified and collected in a "blueprint" of specific defects (or combination of defects) successively adopted to discriminate Extra Virgin from defected oils (i.e., lampante oil) with the aid of a supervised approach, i.e., partial least squares-discriminant analysis (PLS-DA). In this last step, the principles of sensomics, which assigns higher information potential to analytes with lower odor threshold proved to be successful, and a much more powerful discrimination of samples was obtained in view of a sensory quality assessment. Copyright © 2014 Elsevier B.V. All rights reserved.

Option pricing for stochastic volatility model with infinite activity Lévy jumps

NASA Astrophysics Data System (ADS)

Gong, Xiaoli; Zhuang, Xintian

2016-08-01

The purpose of this paper is to apply the stochastic volatility model driven by infinite activity Lévy processes to option pricing which displays infinite activity jumps behaviors and time varying volatility that is consistent with the phenomenon observed in underlying asset dynamics. We specially pay attention to three typical Lévy processes that replace the compound Poisson jumps in Bates model, aiming to capture the leptokurtic feature in asset returns and volatility clustering effect in returns variance. By utilizing the analytical characteristic function and fast Fourier transform technique, the closed form formula of option pricing can be derived. The intelligent global optimization search algorithm called Differential Evolution is introduced into the above highly dimensional models for parameters calibration so as to improve the calibration quality of fitted option models. Finally, we perform empirical researches using both time series data and options data on financial markets to illustrate the effectiveness and superiority of the proposed method.

Sources and production of organic aerosol in Mexico City: insights from the combination of a chemical transport model (PMCAMx-2008) and measurements during MILAGRO

NASA Astrophysics Data System (ADS)

Tsimpidi, A. P.; Karydis, V. A.; Zavala, M.; Lei, W.; Bei, N.; Molina, L.; Pandis, S. N.

2010-11-01

Urban areas are large sources of organic aerosols and their precursors. Nevertheless, the contributions of primary (POA) and secondary organic aerosol (SOA) to the observed particulate matter levels have been difficult to quantify. In this study the three-dimensional chemical transport model PMCAMx-2008 is used to investigate the temporal and geographic variability of organic aerosol in the Mexico City Metropolitan Area (MCMA) during the MILAGRO campaign that took place in the spring of 2006. The organic module of PMCAMx-2008 is based on the volatility basis-set approach: both primary and secondary organic components are assumed to be semi-volatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The MCMA emission inventory is modified and the POA emissions are distributed by volatility based on dilution experiments. The model predictions are compared with observations from four different types of sites, an urban (T0), a suburban (T1), a rural (T2), and an elevated site in Pico Tres Padres (PTP). The performance of the model in reproducing organic mass concentrations in these sites was encouraging. The average predicted PM1 OA concentration in T0, T1, and T2 was 18 μg m-3, 11.7 μg m-3, and 10.5 μg m-3 respectively, while the corresponding measured values were 17.2 μg m-3, 11 μg m-3, and 9 μg m-3. The average predicted fresh primary OA concentrations were 4.4 μg m-3 at T0, 1.2 μg m-3 at T1 and 1.7 μg m-3 at PTP in reasonably good agreement with the corresponding PMF analysis estimates based on the AMS observations of 4.5, 1.3, and 2.9 μg m-3 respectively. The model reproduced reasonably well the average oxygenated OA (OOA) levels in T0 (7.5 μg m-3 predicted versus 7.5 μg m-3 measured), in T1 (6.3 μg m-3 predicted versus 4.6 μg m-3 measured) and in PTP (6.6 μg m-3 predicted versus 5.9 μg m-3 measured). Inside Mexico City, the locally produced OA is predicted to be on average 53% fresh primary (POA), 11% semi-volatile (S-SOA) and intermediate volatile (I-SOA) organic aerosol, and 36% traditional SOA from the oxidation of VOCs (V-SOA). The long range transport from biomass burning activities and other sources in Mexico is predicted to contribute on average almost as much as the local sources during the MILAGRO period.

Fluorometric Biosniffer Camera "Sniff-Cam" for Direct Imaging of Gaseous Ethanol in Breath and Transdermal Vapor.

PubMed

Arakawa, Takahiro; Sato, Toshiyuki; Iitani, Kenta; Toma, Koji; Mitsubayashi, Kohji

2017-04-18

Various volatile organic compounds can be found in human transpiration, breath and body odor. In this paper, a novel two-dimensional fluorometric imaging system, known as a "sniffer-cam" for ethanol vapor released from human breath and palm skin was constructed and validated. This imaging system measures ethanol vapor concentrations as intensities of fluorescence through an enzymatic reaction induced by alcohol dehydrogenase (ADH). The imaging system consisted of multiple ultraviolet light emitting diode (UV-LED) excitation sheet, an ADH enzyme immobilized mesh substrate and a high-sensitive CCD camera. This imaging system uses ADH for recognition of ethanol vapor. It measures ethanol vapor by measuring fluorescence of nicotinamide adenine dinucleotide (NADH), which is produced by an enzymatic reaction on the mesh. This NADH fluorometric imaging system achieved the two-dimensional real-time imaging of ethanol vapor distribution (0.5-200 ppm). The system showed rapid and accurate responses and a visible measurement, which could lead to an analysis of metabolism function at real time in the near future.

Flavor and chiral stability of lemon-flavored hard tea during storage.

PubMed

He, Fei; Qian, YanPing L; Qian, Michael C

2018-01-15

Flavor stability of hard tea beverage was investigated over eight weeks of storage. The volatile compounds were analyzed using solid-phase microextraction-gas chromatography-mass spectrometry (SPME-GC-MS) and two-dimensional GC-MS. Quantitative analysis showed that the concentrations of linalool, citronellol, geranial, neral, geraniol, and nerol decreased dramatically during storage, whereas α-terpineol showed an increasing trend during storage. Heart-cut two-dimensional GC-MS (2D-GC-MS) chirality analysis showed that (R)-(+)-limonene, (R)-(-)-linalool, (S)-(-)-α-terpineol and (S)-(-)-4-terpineol dominated in the fresh hard tea samples, however, the configuration changed during storage for the terpene alcohols. The storage conditions did not change the configuration of limonene. A conversion of (R)-(-)-linalool to (S)-(+) form was observed during storage. Both (S)-α-terpineol and (S)-4-terpineol dominated at beginning of the storage, but (R)-(+)-α-terpineol became dominated after storage, suggested in addition to isomerization from (S)-α-terpineol, other precursors could also generate α-terpineol with (R)-isomer preference. Copyright © 2017 Elsevier Ltd. All rights reserved.

Efficient Arsenic Methylation and Volatilization Mediated by a Novel Bacterium from an Arsenic-Contaminated Paddy Soil.

PubMed

Huang, Ke; Chen, Chuan; Zhang, Jun; Tang, Zhu; Shen, Qirong; Rosen, Barry P; Zhao, Fang-Jie

2016-06-21

Microbial arsenic (As) methylation and volatilization are important processes controlling the As biogeochemical cycle in paddy soils. To further understand these processes, we isolated a novel bacterial strain, SM-1, from an As-contaminated paddy soil. SM-1 showed strong As methylation and volatilization abilities, converting almost all arsenite (10 μM) to dimethylarsenate and trimethylarsenic oxide in the medium and trimethylarsine gas into the headspace within 24 h, with trimethylarsine accounting for nearly half of the total As. On the basis of the 16S rRNA sequence, strain SM-1 represents a new species in a new genus within the family Cytophagaceae. Strain SM-1 is abundant in the paddy soil and inoculation of SM-1 greatly enhanced As methylation and volatilization in the soil. An arsenite methyltransferase gene (ArarsM) was cloned from SM-1. When expressed in Escherichia coli, ArArsM conferred the As methylation and volatilization abilities to E. coli and increased its resistance to arsenite. The high As methylation and volatilization abilities of SM-1 are likely attributed to an efficient ArArsM enzyme coupled with low arsenite efflux. These results suggest that strain SM-1 plays an important role in As methylation and volatilization in the paddy soil and has a great potential for As bioremediation.

Study on the composition of the volatile fraction of Hamamelis virginiana.

PubMed

Engel, R; Gutmann, M; Hartisch, C; Kolodziej, H; Nahrstedt, A

1998-04-01

The volatile fractions, obtained by water distillation from the leaves and bark of Hamamelis virginiana L. were analysed in detail by GC-MS. About 175 (leaves) and 168 (bark) compounds have been identified or at least partly characterized on the basis of a computerized database (SeKoMS). The dominating substances were represented by a homologous series of alkanes, alkenes, aliphatic alcohols, related aldehydes, ketones, and fatty acid esters. Importantly, significant differences in the terpenoid and phenylpropanoid patterns of the products obtained from the bark and leaves are apparent: whereas the product of bark distillation was found to typically contain phenylpropanoids and mainly sesquiterpenoids, that obtained from the leaves included some distinct monoterpenoids detected in comparably higher amounts. The chemical composition of the volatiles, when taken together with the absence of specific accumulation sites of lipophilics, emphasizes the definition "volatile fraction" rather than "essential oil".

[Study on dynamic accumulation of index components from Bupleurum chinense in various collecting periods].

PubMed

Wang, Qi-shuai; Li, Xiao-kun; Yang, Yun; Xiao, Gong-sheng; Feng, Wei-sheng

2010-08-01

To study the dynamic change law of volatile oil, saikosaponin a, d and alcohol-extract from Bupleurum chinense at Songxian region in Henan province, and to explore the optimal harvest period of Bupleurum chinense. With the contents of saikosaponin a and d, absorbance of volatile oil and percentage of alcohol-extract as indexes, HPLC-ELSD and ultraviolet spectrophotometry were successively used to analyze them. There are obvious differences among the contents of volatile oil, saikosaponin a, d and alcohol-extract in various collecting periods sample, the absorption of volatile oil in distillation was the highest in October, the content of saikosaponin a was the highest in September, the saikosaponin d in December and the percentage of alcohol-extract in October. The optimal harvest period of Bupleurum chinense at Songxian region in Henan is identified, which can provide scientific basis for crude drug production and processing.

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2.

PubMed

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS 2 ) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS 2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS 2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials.

Optimization of the co-digestion of catch crops with manure using a central composite design and reactor operation.

PubMed

Molinuevo-Salces, Beatriz; Ahring, Birgitte K; Uellendahl, Hinrich

2015-02-01

This study investigates the effect of catch crops as co-substrate on manure-based anaerobic digestion. Batch experiments were carried out for two catch crops, namely Italian ryegrass (IR) and oil seed radish (OSR), in co-digestion with manure. Methane yields in the range of 271-558 and 216-361 ml CH4/g volatile solids (VS) were obtained for OSR and IR in co-digestion, respectively. OSR co-digestion was chosen for semi-continuous reactor experiments. The addition of 50 % of OSR to manure (on VS basis) in semi-continuous anaerobic digestion resulted in a methane yield of 348 ml CH4/g VS, an improvement of 1.46 times compared to manure alone. Adaptation to OSR was observed, and no ammonia or volatile fatty acid-mediated inhibition was detected. The results prove that it is feasible to use catch crops as co-substrate for manure-based biogas production, obtaining a stable process with significantly higher methane yields than that of manure alone.

MATRIX-VBS (v1.0): Implementing an Evolving Organic Aerosol Volatility in an Aerosol Microphysics Model

NASA Technical Reports Server (NTRS)

Gao, Chloe Y.; Tsigaridis, Kostas; Bauer, Susanne E.

2017-01-01

The gas-particle partitioning and chemical aging of semi-volatile organic aerosol are presented in a newly developed box model scheme, where its effect on the growth, composition, and mixing state of particles is examined. The volatility-basis set (VBS) framework is implemented into the aerosol microphysical scheme MATRIX (Multiconfiguration Aerosol TRacker of mIXing state), which resolves mass and number aerosol concentrations and in multiple mixing-state classes. The new scheme, MATRIX-VBS, has the potential to significantly advance the representation of organic aerosols in Earth system models by improving upon the conventional representation as non-volatile particulate organic matter, often also with an assumed fixed size distribution. We present results from idealized cases representing Beijing, Mexico City, a Finnish forest, and a southeastern US forest, and investigate the evolution of mass concentrations and volatility distributions for organic species across the gas and particle phases, as well as assessing their mixing state among aerosol populations. Emitted semi-volatile primary organic aerosols evaporate almost completely in the intermediate-volatility range, while they remain in the particle phase in the low-volatility range. Their volatility distribution at any point in time depends on the applied emission factors, oxidation by OH radicals, and temperature. We also compare against parallel simulations with the original scheme, which represented only the particulate and non-volatile component of the organic aerosol, examining how differently the condensed-phase organic matter is distributed across the mixing states in the model. The results demonstrate the importance of representing organic aerosol as a semi-volatile aerosol, and explicitly calculating the partitioning of organic species between the gas and particulate phases.

Localized motion in random matrix decomposition of complex financial systems

NASA Astrophysics Data System (ADS)

Jiang, Xiong-Fei; Zheng, Bo; Ren, Fei; Qiu, Tian

2017-04-01

With the random matrix theory, we decompose the multi-dimensional time series of complex financial systems into a set of orthogonal eigenmode functions, which are classified into the market mode, sector mode, and random mode. In particular, the localized motion generated by the business sectors, plays an important role in financial systems. Both the business sectors and their impact on the stock market are identified from the localized motion. We clarify that the localized motion induces different characteristics of the time correlations for the stock-market index and individual stocks. With a variation of a two-factor model, we reproduce the return-volatility correlations of the eigenmodes.

Involution and Difference Schemes for the Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Gerdt, Vladimir P.; Blinkov, Yuri A.

In the present paper we consider the Navier-Stokes equations for the two-dimensional viscous incompressible fluid flows and apply to these equations our earlier designed general algorithmic approach to generation of finite-difference schemes. In doing so, we complete first the Navier-Stokes equations to involution by computing their Janet basis and discretize this basis by its conversion into the integral conservation law form. Then we again complete the obtained difference system to involution with eliminating the partial derivatives and extracting the minimal Gröbner basis from the Janet basis. The elements in the obtained difference Gröbner basis that do not contain partial derivatives of the dependent variables compose a conservative difference scheme. By exploiting arbitrariness in the numerical integration approximation we derive two finite-difference schemes that are similar to the classical scheme by Harlow and Welch. Each of the two schemes is characterized by a 5×5 stencil on an orthogonal and uniform grid. We also demonstrate how an inconsistent difference scheme with a 3×3 stencil is generated by an inappropriate numerical approximation of the underlying integrals.

A new idea for broad band reflector and tunable multichannel filter of one dimensional symmetric photonic crystal with magnetized cold plasma defects

NASA Astrophysics Data System (ADS)

Kumar, Asish; Singh, Prabal P.; Thapa, Khem B.

2018-05-01

The optical properties of one-dimensional periodic structure composed by SiO2 and dielectric (air) layers with asymmetric and symmetric forms studied. The transmittance for symmetric periodic defective structure analyzed by introducing one, two, three layers of magnetized cold plasma (MCP) in one-dimensional periodic structure. We found better result for symmetric defect of three layer of the MCP compare to the other defective structures. On the basis of our calculated results, we proposed a new idea for broadband reflector at lower frequency range as well as the multichannel filter at higher frequency range.

Analysis of flame spread over multicomponent combustibles

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

Ohtani, H.; Sato, J.

1985-01-01

A theoretical model of volatile component diffusion in the condensed phase is carried out in order to form a basis for predicting the flame spread rate in thermally thick multicomponent combustibles in a non-fluid condensed phase. The fuels could be, e.g., crude oil, heavy oil, or light oil. Mass transfer occurs only by diffusion so the gas phase volatile concentration at the surface is estimated from the condensed phase volatile concentration and the surface temperature, which increases close to the leading flame edge. The flame spread rate is assumed steady. The velocity of the flame spread is shown to bemore » a function of the initial condensed phase temperature and the temperature at the leading flame edge.« less

Shock-free configurations in two-and three-dimensional transonic flow

NASA Technical Reports Server (NTRS)

Seebass, A. R.

1981-01-01

Efforts to replace Sobieczky's complicated analog computations of solutions to the hodograph equations by a fast elliptic solver in order to generate shock-free airfoil designs more effectively are described. The indirect design of airfoil and wing shapes that are free from shock waves even though the local flow velocity exceeds the speed of sound is described. The problem of finding an airfoil in two dimensional, irrotational flow that has a prescribed pressure distribution is as addressed. Sobieczky's suggestion to use a fictitious gas for finding shock-free airfoils directly in the physical plane was the basis for a more efficient procedure for achieving the same end.

Disorder-Induced Quantum Beats in Two-Dimensional Spectra of Excitonically Coupled Molecules

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

Butkus, Vytautas; Dong, Hui; Fleming, Graham R.

2016-01-21

Here, a study is presented showing the conditions when long-lived electronic quantum coherences originating from recently proposed inhomogeneous broadening mechanism are enhanced and reflected in the two-dimensional electronic spectra of the excitonically coupled molecular dimer. We show that depending on the amount of inhomogeneous broadening, the excitonically coupled molecular system can establish long-lived electronic coherences, caused by a disordered subensemble, for which the dephasing due to static energy disorder becomes significantly reduced. On the basis of these considerations, we present explanations for why the electronic or vibrational coherences were or were not observed in a range of recent experiments.

Harnessing Insect-Microbe Chemical Communications To Control Insect Pests of Agricultural Systems.

PubMed

Beck, John J; Vannette, Rachel L

2017-01-11

Insect pests cause serious economic, yield, and food safety problems to managed crops worldwide. Compounding these problems, insect pests often vector pathogenic or toxigenic microbes to plants. Previous work has considered plant-insect and plant-microbe interactions separately. Although insects are well-understood to use plant volatiles to locate hosts, microorganisms can produce distinct and abundant volatile compounds that in some cases strongly attract insects. In this paper, we focus on the microbial contribution to plant volatile blends, highlighting the compounds emitted and the potential for variation in microbial emission. We suggest that these aspects of microbial volatile emission may make these compounds ideal for use in agricultural applications, as they may be more specific or enhance methods currently used in insect control or monitoring. Our survey of microbial volatiles in insect-plant interactions suggests that these emissions not only signal host suitability but may indicate a distinctive time frame for optimal conditions for both insect and microbe. Exploitation of these host-specific microbe semiochemicals may provide important microbe- and host-based attractants and a basis for future plant-insect-microbe chemical ecology investigations.

Mars base buildup scenarios

NASA Technical Reports Server (NTRS)

Blacic, J. D.

1986-01-01

Two Mars surface based build-up scenarios are presented in order to help visualize the mission and to serve as a basis for trade studies. In the first scenario, direct manned landings on the Martian surface occur early in the missions and scientific investigation is the main driver and rationale. In the second senario, Earth development of an infrastructure to exploit the volatile resources of the Martian moons for economic purposes is emphasized. Scientific exploration of the surface is delayed at first in this scenario relative to the first, but once begun develops rapidly, aided by the presence of a permanently manned orbital station.

Very high order discontinuous Galerkin method in elliptic problems

NASA Astrophysics Data System (ADS)

Jaśkowiec, Jan

2017-09-01

The paper deals with high-order discontinuous Galerkin (DG) method with the approximation order that exceeds 20 and reaches 100 and even 1000 with respect to one-dimensional case. To achieve such a high order solution, the DG method with finite difference method has to be applied. The basis functions of this method are high-order orthogonal Legendre or Chebyshev polynomials. These polynomials are defined in one-dimensional space (1D), but they can be easily adapted to two-dimensional space (2D) by cross products. There are no nodes in the elements and the degrees of freedom are coefficients of linear combination of basis functions. In this sort of analysis the reference elements are needed, so the transformations of the reference element into the real one are needed as well as the transformations connected with the mesh skeleton. Due to orthogonality of the basis functions, the obtained matrices are sparse even for finite elements with more than thousands degrees of freedom. In consequence, the truncation errors are limited and very high-order analysis can be performed. The paper is illustrated with a set of benchmark examples of 1D and 2D for the elliptic problems. The example presents the great effectiveness of the method that can shorten the length of calculation over hundreds times.

Very high order discontinuous Galerkin method in elliptic problems

NASA Astrophysics Data System (ADS)

Jaśkowiec, Jan

2018-07-01

The paper deals with high-order discontinuous Galerkin (DG) method with the approximation order that exceeds 20 and reaches 100 and even 1000 with respect to one-dimensional case. To achieve such a high order solution, the DG method with finite difference method has to be applied. The basis functions of this method are high-order orthogonal Legendre or Chebyshev polynomials. These polynomials are defined in one-dimensional space (1D), but they can be easily adapted to two-dimensional space (2D) by cross products. There are no nodes in the elements and the degrees of freedom are coefficients of linear combination of basis functions. In this sort of analysis the reference elements are needed, so the transformations of the reference element into the real one are needed as well as the transformations connected with the mesh skeleton. Due to orthogonality of the basis functions, the obtained matrices are sparse even for finite elements with more than thousands degrees of freedom. In consequence, the truncation errors are limited and very high-order analysis can be performed. The paper is illustrated with a set of benchmark examples of 1D and 2D for the elliptic problems. The example presents the great effectiveness of the method that can shorten the length of calculation over hundreds times.

The geologic classification of the meteorites

USGS Publications Warehouse

Elston, Donald Parker

1968-01-01

The meteorite classes of Prior and Mason are assigned to three proposed genetic groups on the basis of a combination of compositional, mineralogical, and elemental characteristics: l) the calcium-poor, volatile-rich carbonaceous chondrites and achondrites; 2) the calcium-poor, volatile-poor chondrites (enstatite, bronzite, hypersthene, and pigeonite), achondrites (enstatite, hypersthene, and pigeonite), stonyirons (pallasites, siderophyre), and irons; and, 3) the calcium-rich (basaltic) achondrites. Chondrites are correlated with calcium-poor achondrites and the silicate phase of the pallasitic meteorites on Fe contents of olivine and pyroxene; and with metal of the stony-irons and irons on the basis of trace elements (Ga and Ge). Transitions in structure and texture between the chondrites and achondrites are recognized. The Van Schmus-Wood chemical-petrologic classification of the chondrites has been modified and expanded to a mineralogic-petrologic classification of the chondrites and calcium-poor achondrites. Chondrites apparently are the first rocks of the solar system. Paragenetic and textural relations in the Murray carbonaceous chondrite shed new light on the manner of accretion, and on the character of dispersed solid materials ('dust', and chondrules and metal) that existed in the solar system before accretion. Two pre-accretionary mineral assemblages (components) are recognized in the carbonaceous chondrites and in the unequilibrated volatile-poor chondrites. They are: 1) a 'low temperature' water-, rare gas-, and carbon-bearing component; and, 2) a high temperature anhydrous silicate and metal component. Paragenetic relations indicate that component 2 materials predate chondrite formation. An accretionary assemblage (component 3) also is recognized in the carbonaceous chondrites and in the unequilibrated volatile-poor chondrites. Component 3 consists of very fine grains of olivine and pyroxene, which occur as pervasive disseminations, as small irregular aggregates of grains, and as large subround to round, finely granular accretional chondrules. Evidence in Murray indicates that component 3 silicates precipitated abruptly and at low pressures, possibly from a high temperature gas, in an environment that contained dispersed component 1 and 2 materials. All component 3 aggregates in Murray contain component 1 material, most commonly as flakes, and locally as tiny granules and larger spherules, some of which are hollow and some of which were broken prior to their mechanical incorporation in accretionary chondrules. Accretion may have occurred as ices associated with dispersed water-bearing component 1 materials temporarily melted during the precipitation of component 3 silicates, and then abruptly refroze to form an icy cementing material. Group 1 materials may be cometary, and group 2 materials may be asteroidal. Schematic models are proposed. Evidence is reviewed for the lunar origin of the pyroxeneplagioclase achondrites. On the basis of natural remanent magnetism, it is suggested that the very scarce diopside-olivine achondrites may be samples from Mars. A classification of the meteorite breccias, including the calcium-poor and calcium-rich mesosiderites, and irons that contain silicate fragments, is proposed. A fragmentation history of the meteorites is outlined on the basis of evidence in the polymict breccias, and from gas retention ages in stones and exposure ages in irons. Cometal impacts appear to have caused the initial fragmentation, stud possibly the perturbation of orbits, of two inferred asteroidal bodies (enstatite and bronzite), one and possibly both events occurring before 2000 m.y. ago. Several impacts apparently occurred on the inferred hypersthene body in the interval 1000 to 2000 m.y. ago. Major breakups of the three bodies apparently occurred as the result of interasteroidal collisions at about 900 m.y. ago, and 600 to 700 m.y. ago. The breakups were followed by a number of fr

Birman—Wenzl—Murakami Algebra and Topological Basis

NASA Astrophysics Data System (ADS)

Zhou, Cheng-Cheng; Xue, Kang; Wang, Gang-Cheng; Sun, Chun-Fang; Du, Gui-Jiao

2012-02-01

In this paper, we use entangled states to construct 9 × 9-matrix representations of Temperley—Lieb algebra (TLA), then a family of 9 × 9-matrix representations of Birman—Wenzl—Murakami algebra (BWMA) have been presented. Based on which, three topological basis states have been found. And we apply topological basis states to recast nine-dimensional BWMA into its three-dimensional counterpart. Finally, we find the topological basis states are spin singlet states in special case.

A Reduced Basis Method with Exact-Solution Certificates for Symmetric Coercive Equations

DTIC Science & Technology

2013-11-06

the energy associated with the infinite - dimensional weak solution of parametrized symmetric coercive partial differential equations with piecewise...builds bounds with respect to the infinite - dimensional weak solution, aims to entirely remove the issue of the “truth” within the certified reduced basis...framework. We in particular introduce a reduced basis method that provides rigorous upper and lower bounds

40 CFR 98.464 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... = Degradable organic content of waste stream in Year X (weight fraction, wet basis) FDOC = Fraction of the volatile residue that is degradable organic carbon (weight fraction). Use a default value of 0.6...

[GC-MS combined with AMDIS and Kováts retention index to investigate dynamic change rules of volatile components from Atractylodis Macrocephalae Rhizoma with different stir-baking degrees].

PubMed

Chen, Hong-Ping; Pan, Huan-Huan; Zhang, Xin; Liu, Fei; Chen, Mei-Jun; Luo, Guan-Hua; Liu, You-Ping

2016-07-01

To investigate the dynamic change rules of volatile components from Atractylodis Macrocephalae Rhizoma with different stir-baking degrees (from slight stir-baking, stir-baking to yellow, stir-baking to brown, to stir-baking to scorch). In the present experiment, the Atractylodis Macrocephalae Rhizoma samples with different stir-baking degrees were collected at different processing time points. The contents of volatile oil in various samples were determined by steam distillation method, and the volatile compounds were extracted by using static headspace sampling method. Gas chromatography-mass spectrography (GC-MS) and automated mass spectral deconrolution and identification system (AMDIS) were combined with Kováts retention index to analyze the chemical constituents of the volatile compounds. The results showed that with the deepening of the stir-baking degree, the content of volatile oil was decreased step by step in 4 phases, and both the compositions and contents of volatile components from Atractylodis Macrocephalae Rhizoma showed significant changes. The results showed that the dynamic change rules of volatile components from Atractylodis Macrocephalae Rhizoma in the process of stir-baking were closely related to the processing degree; in addition, Atractylodis Macrocephalae Rhizoma and honey bran had adsorption on each other. These results can provide a scientific basis for elucidating the stir-baking (with bran) mechanism of Atractylodis Macrocephalae Rhizoma. Copyright© by the Chinese Pharmaceutical Association.

Theoretical predictions of volatile bearing phases and volatile resources in some carbonaceous chondrites

NASA Technical Reports Server (NTRS)

Ganguly, Jibamitra; Saxena, Surendra K.

1989-01-01

Carbonaceous chondrites are usually believed to be the primary constituents of near-Earth asteroids and Phobos and Diemos, and are potential resources of fuels which may be exploited for future planetary missions. The nature and abundances are calculated of the major volatile bearing and other phases, including the vapor phase that should form in C1 and C2 type carbonaceous chondrites as functions of pressure and temperature. The results suggest that talc, antigorite plus or minus magnesite are the major volatile bearing phases and are stable below 400 C at 1 bar in these chondritic compositions. Simulated heating of a kilogram of C2 chondrite at fixed bulk composition between 400 and 800 C at 1 bar yields about 135 gm of volatile, which is made primarily of H2O, H2, CH4, CO2 and CO. The relative abundances of these volatile species change as functions of temperature, and on a molar basis, H2 becomes the most dominant species above 500 C. In contrast, Cl chondrites yield about 306 gm of volatile under the same condition, which consist almost completely of 60 wt percent H2O and 40 wt percent CO2. Preliminary kinetic considerations suggest that equilibrium dehydration of hydrous phyllosilicates should be attainable within a few hours at 600 C. These results provide the framework for further analyses of the volatile and economic resource potentials of carbonaceous chondrites.

Field-based Evaluation of a Novel SPME-GC-MS Method for Investigation of Below-ground Interaction between Brassica Roots and Larvae of Cabbage Root Fly, Delia radicum L.

PubMed

Deasy, William; Shepherd, Tom; Alexander, Colin J; Birch, A Nicholas E; Evans, K Andrew

2016-11-01

Collection of volatiles from plant roots poses technical challenges due to difficulties accessing the soil environment without damaging the roots. To validate a new non-invasive method for passive sampling of root volatiles in situ, from plants grown under field conditions, using solid phase micro-extraction (SPME). SPME fibres were inserted into perforated polytetrafluoroethene (PTFE) tubes positioned in the soil next to broccoli plants for collection of root volatiles pre- and post-infestation with Delia radicum larvae. After sample analysis by gas chromatography-mass spectrometry (GC-MS), principal component analysis (PCA) was applied to determine differences in the profiles of volatiles between samples. GC-MS analysis revealed that this method can detect temporal changes in root volatiles emitted before and after Delia radicum damage. PCA showed that samples collected pre- and post-infestation were compositionally different due to the presence of root volatiles induced by D. radicum feeding. Sulphur containing compounds, in particular, accounted for the differences observed. Root volatiles emission patterns post-infestation are thought to follow the feeding and developmental progress of larvae. This study shows that volatiles released by broccoli roots can be collected in situ using SPME fibres within perforated PTFE tubes under field conditions. Plants damaged by Delia radicum larvae could be distinguished from plants sampled pre-infestation and soil controls on the basis of larval feeding-induced sulphur-containing volatiles. These results show that this new method is a powerful tool for non-invasive sampling of root volatiles below-ground. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Development of a geodatabase and conceptual model of the hydrogeologic units beneath air force plant 4 and Naval Air Station-Joint Reserve Base Carswell Field, Fort Worth, Texas

USGS Publications Warehouse

Shah, Sachin D.

2004-01-01

Air Force Plant 4 and adjacent Naval Air Station-Joint Reserve Base Carswell Field at Fort Worth, Texas, constitute a government-owned, contractor-operated facility that has been in operation since 1942. Contaminants from AFP4, primarily volatile organic compounds and metals, have entered the ground-water-flow system through leakage from waste-disposal sites and from manufacturing processes. The U.S. Geological Survey developed a comprehensive geodatabase of temporal and spatial environmental information associated with the hydrogeologic units (alluvial aquifer, Goodland-Walnut confining unit, and Paluxy aquifer) beneath the facility and a three-dimensional conceptual model of the hydrogeologic units integrally linked to the geodatabase. The geodatabase design uses a thematic layer approach to create layers of feature data using a geographic information system. The various features are separated into relational tables in the geodatabase on the basis of how they interact and correspond to one another. Using the geodatabase, geographic data at the site are manipulated to produce maps, allow interactive queries, and perform spatial analyses. The conceptual model for the study area comprises computer-generated, three-dimensional block diagrams of the hydrogeologic units. The conceptual model provides a platform for visualization of hydrogeologic-unit sections and surfaces and for subsurface environmental analyses. The conceptual model is based on three structural surfaces and two thickness configurations of the study area. The three structural surfaces depict the altitudes of the tops of the three hydrogeologic units. The two thickness configurations are those of the alluvial aquifer and the Goodland-Walnut confining unit. The surface of the alluvial aquifer was created using a U.S. Geological Survey 10-meter digital elevation model. The 2,130 point altitudes of the top of the Goodland-Walnut unit were compiled from lithologic logs from existing wells, available soil-boring logs, and previous studies. Data from 120 wells, primarily from existing reports, were used to create a map of the approximate altitude of the Paluxy aquifer.

Volatility of source apportioned wintertime organic aerosol in the city of Athens

NASA Astrophysics Data System (ADS)

Louvaris, Evangelos E.; Florou, Kalliopi; Karnezi, Eleni; Papanastasiou, Dimitrios K.; Gkatzelis, Georgios I.; Pandis, Spyros N.

2017-06-01

The volatility distribution of ambient organic aerosol (OA) and its components was measured during the winter of 2013 in the city of Athens combining a thermodenuder (TD) and a High Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS). Positive Matrix Factorization (PMF) analysis of both the ambient and the thermodenuder AMS-spectra resulted in a four-factor solution for the OA, namely: hydrocarbon-like OA (HOA), biomass burning OA (BBOA), cooking OA (COA), and oxygenated OA (OOA). The thermograms of the four factors were analyzed and the corresponding volatility distributions were estimated using the volatility basis set (VBS). All four factors included compounds with a wide range of effective volatilities from 10 to less than 10-4 μg m-3 at 298 K. Almost 40% of the HOA consisted of low-volatility organic compounds (LVOCs) with the semi-volatile compounds (SVOCs) representing roughly 30%, while the remaining 30% consisted of extremely low volatility organic compounds (ELVOCs). BBOA was more volatile than the HOA factor on average, with 10% ELVOCs, 40% LVOCs, and 50% SVOCs. 10% of the COA consisted of ELVOCs, another 65% LVOCs, and 50% SVOCs. Finally, the OOA was the least volatile factor and included 40% ELVOCs, 25% LVOCs, and 35% SVOCs. Combining the volatility distributions and the O:C ratios of the various factors, we placed our results in the 2D-VBS analysis framework of Donahue et al. (2012). HOA and BBOA are in the expected region but also include an ELVOC component. COA is in similar range as HOA, but on average is half an order of magnitude more volatile. The OOA in these wintertime conditions had a moderate O:C ratio and included both semi-volatile and extremely low volatility components. The above results are sensitive to the assumed values of the effective vaporization enthalpy and the accommodation coefficient. A reduction of the accommodation coefficient by an order of magnitude or the reduction of the vaporization enthalpy by 20 kJ mol-1 results in the increase of the average volatility by half an order of magnitude.

Entanglement by Path Identity.

PubMed

Krenn, Mario; Hochrainer, Armin; Lahiri, Mayukh; Zeilinger, Anton

2017-02-24

Quantum entanglement is one of the most prominent features of quantum mechanics and forms the basis of quantum information technologies. Here we present a novel method for the creation of quantum entanglement in multipartite and high-dimensional systems. The two ingredients are (i) superposition of photon pairs with different origins and (ii) aligning photons such that their paths are identical. We explain the experimentally feasible creation of various classes of multiphoton entanglement encoded in polarization as well as in high-dimensional Hilbert spaces-starting only from nonentangled photon pairs. For two photons, arbitrary high-dimensional entanglement can be created. The idea of generating entanglement by path identity could also apply to quantum entities other than photons. We discovered the technique by analyzing the output of a computer algorithm. This shows that computer designed quantum experiments can be inspirations for new techniques.

Entanglement by Path Identity

NASA Astrophysics Data System (ADS)

Krenn, Mario; Hochrainer, Armin; Lahiri, Mayukh; Zeilinger, Anton

2017-02-01

Quantum entanglement is one of the most prominent features of quantum mechanics and forms the basis of quantum information technologies. Here we present a novel method for the creation of quantum entanglement in multipartite and high-dimensional systems. The two ingredients are (i) superposition of photon pairs with different origins and (ii) aligning photons such that their paths are identical. We explain the experimentally feasible creation of various classes of multiphoton entanglement encoded in polarization as well as in high-dimensional Hilbert spaces—starting only from nonentangled photon pairs. For two photons, arbitrary high-dimensional entanglement can be created. The idea of generating entanglement by path identity could also apply to quantum entities other than photons. We discovered the technique by analyzing the output of a computer algorithm. This shows that computer designed quantum experiments can be inspirations for new techniques.

A comparison of analog and digital modeling techniques for simulating three-dimensional ground-water flow on Long Island, New York

USGS Publications Warehouse

Reilly, Thomas E.; Harbaugh, Arlen W.

1980-01-01

A three-dimensional electric-analog model of the Long Island, NY , groundwater system constructed by the U.S. Geological Survey in the early 1970 's was used as the basis for developing a digital, three-dimensional finite-difference model. The digital model was needed to provide faster modifications and more rapid solutions to water-management questions. Results generated by the two models are depicted as potentiometric-surface maps of the upper glacial and Magothy aquifers. Results compare favorably for all parts of Long Island except the northwestern part, where hydrologic discontinuities are most prevalent and which the two models represent somewhat differently. The mathematical and hydrologic principles used in development of ground-water models, and the procedures for calibration and acceptance, are presented in nontechnical terms. (USGS)

Two forsterite-bearing FUN inclusions in the Allende meteorite. [Fractionation and Unknown Nuclear effects

NASA Technical Reports Server (NTRS)

Clayton, R. N.; Macpherson, G. J.; Hutcheon, I. D.; Davis, A. M.; Grossman, L.; Mayeda, T. K.; Molini-Velsko, C.; Allen, J. M.; El Goresy, A.

1984-01-01

Two forsterite-, fassaite-, spinel-rich inclusions in Allende which share common mineralogy and texture with three previously described inclusions are described. These inclusions were at least partially molten at temperatures over 1400 C, and their crystallization sequence was spinel, olivine, fassaite, and Mg-rich melilite. At least some of them experienced partial volatilization of MgO and SiO2 from their outer margins. At least one of the inclusions is highly enriched in MgO relative to CaO and Al2O3 compared to Allende coarse-grained inclusions, although it is just as strongly enriched in refractory trace elements as the latter, relative to C1 chondrites. Two of the objects are FUN inclusions on the basis of their oxygen, magnesium, and silicon isotopic compositions.

Insights on the chemical basis of the astringency of Spanish red wines.

PubMed

Sáenz-Navajas, María-Pilar; Avizcuri, José-Miguel; Ferreira, Vicente; Fernández-Zurbano, Purificación

2012-10-01

The main goal of the present study is to provide an insight on the role played by non-volatile molecules on the different in-mouth attributes, particularly astringency. For achieving such goal, the main in-mouth sensory attributes of 34 oaked Spanish red wines were measured by a trained panel. The wine content in 30 sensory-active molecules was analysed by different HPLC based methodologies together with classical enological parameters and two proanthocyanidin indexes. Fourteen compounds (aconitic acids, polymeric proanthocyanidins, caftaric, caffeic and coutaric acids and seven quercetins) were found to be at concentrations above reported taste thresholds and to have a reasonably high range of occurrence. Two highly statistically significant models for astringency were built with those compounds. Even if the models could not be fully validated by sensory addition experiments, the research has demonstrated that wine astringency is driven by polymeric proanthocyanidins and by certain phenolic acids, the rate trans/cis-aconitic acid and flavonol profiles. The research has highlighted the existence of extremely complex interactions between non-volatile compounds on the in-mouth sensory perception. Particularly remarkable is the lack of additivity and potential antagonism found between the pairs cis/trans-aconitic acids, between aconitic and caffeic acids and between quercetin-3-O-galactoside and quercetin-3-O-glucoside. Also remarkable was the sweetness×astringent interaction and the matrix-dependence of the sensory responses elicited by flavonols. These results suggest the need for new paradigms and experimental procedures for fully decoding the real sensory relevance of individual non-volatile compounds in the overall wine flavour. Copyright © 2012 Elsevier Ltd. All rights reserved.

One-pot growth of two-dimensional lateral heterostructures via sequential edge-epitaxy

NASA Astrophysics Data System (ADS)

Sahoo, Prasana K.; Memaran, Shahriar; Xin, Yan; Balicas, Luis; Gutiérrez, Humberto R.

2018-01-01

Two-dimensional heterojunctions of transition-metal dichalcogenides have great potential for application in low-power, high-performance and flexible electro-optical devices, such as tunnelling transistors, light-emitting diodes, photodetectors and photovoltaic cells. Although complex heterostructures have been fabricated via the van der Waals stacking of different two-dimensional materials, the in situ fabrication of high-quality lateral heterostructures with multiple junctions remains a challenge. Transition-metal-dichalcogenide lateral heterostructures have been synthesized via single-step, two-step or multi-step growth processes. However, these methods lack the flexibility to control, in situ, the growth of individual domains. In situ synthesis of multi-junction lateral heterostructures does not require multiple exchanges of sources or reactors, a limitation in previous approaches as it exposes the edges to ambient contamination, compromises the homogeneity of domain size in periodic structures, and results in long processing times. Here we report a one-pot synthetic approach, using a single heterogeneous solid source, for the continuous fabrication of lateral multi-junction heterostructures consisting of monolayers of transition-metal dichalcogenides. The sequential formation of heterojunctions is achieved solely by changing the composition of the reactive gas environment in the presence of water vapour. This enables selective control of the water-induced oxidation and volatilization of each transition-metal precursor, as well as its nucleation on the substrate, leading to sequential edge-epitaxy of distinct transition-metal dichalcogenides. Photoluminescence maps confirm the sequential spatial modulation of the bandgap, and atomic-resolution images reveal defect-free lateral connectivity between the different transition-metal-dichalcogenide domains within a single crystal structure. Electrical transport measurements revealed diode-like responses across the junctions. Our new approach offers greater flexibility and control than previous methods for continuous growth of transition-metal-dichalcogenide-based multi-junction lateral heterostructures. These findings could be extended to other families of two-dimensional materials, and establish a foundation for the development of complex and atomically thin in-plane superlattices, devices and integrated circuits.

Numerical modeling of surface wave development under the action of wind

NASA Astrophysics Data System (ADS)

Chalikov, Dmitry

2018-06-01

The numerical modeling of two-dimensional surface wave development under the action of wind is performed. The model is based on three-dimensional equations of potential motion with a free surface written in a surface-following nonorthogonal curvilinear coordinate system in which depth is counted from a moving surface. A three-dimensional Poisson equation for the velocity potential is solved iteratively. A Fourier transform method, a second-order accuracy approximation of vertical derivatives on a stretched vertical grid and fourth-order Runge-Kutta time stepping are used. Both the input energy to waves and dissipation of wave energy are calculated on the basis of earlier developed and validated algorithms. A one-processor version of the model for PC allows us to simulate an evolution of the wave field with thousands of degrees of freedom over thousands of wave periods. A long-time evolution of a two-dimensional wave structure is illustrated by the spectra of wave surface and the input and output of energy.

Quantification of Terpenes by 1DGC-MS and 2DGC-TOF-MS

NASA Astrophysics Data System (ADS)

Flores, R. M.; Perlinger, J. A.; Doskey, P. V.

2009-12-01

Biogenic emissions are the primary source of volatile organic compounds in the global troposphere. Deciduous and coniferous forests are the principal emitters of a complex mixture of isoprene (C5H8), monoterpenes (C10H16), and sesquiterpenes (C15H24). Sesquiterpenes are readily oxidized in the atmosphere producing secondary organic aerosols (SOA) with 100% yields. The SOA are hydrophilic and scatter light, and thus, increase albedo and lead to a cooling effect. In addition, both monoterpene and sesquiterpene generated SOA are effective cloud condensation nuclei leading to an increase in the particle number concentration and to the formation of clouds that also increase albedo. To quantify the complex mixture of terpenes and their oxidation products requires development of on-line extraction and comprehensive two-dimensional gas chromatographic techniques. One objective of this work was to compare one-dimensional gas chromatography-mass spectrometry (1DGC-MS) and two-dimensional gas chromatography time-of-flight mass spectrometry (2DGC-TOFMS) for quantifying eight monoterpenes (alpha- and beta-pinene, limonene, 3-carene, linalool, terpinolene, myrcene and ocimene) and eight sesquiterpenes (beta-caryophyllene, humulene, alpha-cedrene, cis-nerolidol, trans-nerolidol, cedrol, camphene and farnesene) in air samples collected in Northern Michigan. Future research involves coupling thermal desorption and supercritical fluid extraction devices to a GC×2GC for routine quantification of the complex mixture of terpenes and their oxidation products in rural and urban air.

Investigation of the relative orientation of the system of optical sensors to monitor the technosphere objects

NASA Astrophysics Data System (ADS)

Petrochenko, Andrey; Konyakhin, Igor

2017-06-01

In connection with the development of robotics have become increasingly popular variety of three-dimensional reconstruction of the system mapping and image-set received from the optical sensors. The main objective of technical and robot vision is the detection, tracking and classification of objects of the space in which these systems and robots operate [15,16,18]. Two-dimensional images sometimes don't contain sufficient information to address those or other problems: the construction of the map of the surrounding area for a route; object identification, tracking their relative position and movement; selection of objects and their attributes to complement the knowledge base. Three-dimensional reconstruction of the surrounding space allows you to obtain information on the relative positions of objects, their shape, surface texture. Systems, providing training on the basis of three-dimensional reconstruction of the results of the comparison can produce two-dimensional images of three-dimensional model that allows for the recognition of volume objects on flat images. The problem of the relative orientation of industrial robots with the ability to build threedimensional scenes of controlled surfaces is becoming actual nowadays.

Stability Test for Transient-Temperature Calculations

NASA Technical Reports Server (NTRS)

Campbell, W.

1984-01-01

Graphical test helps assure numerical stability of calculations of transient temperature or diffusion in composite medium. Rectangular grid forms basis of two-dimensional finite-difference model for heat conduction or other diffusion like phenomena. Model enables calculation of transient heat transfer among up to four different materials that meet at grid point.

Volatile Compound-Mediated Interactions between Barley and Pathogenic Fungi in the Soil

PubMed Central

Fiers, Marie; Lognay, Georges; Fauconnier, Marie-Laure; Jijakli, M. Haïssam

2013-01-01

Plants are able to interact with their environment by emitting volatile organic compounds. We investigated the volatile interactions that take place below ground between barley roots and two pathogenic fungi, Cochliobolus sativus and Fusarium culmorum. The volatile molecules emitted by each fungus, by non-infected barley roots and by barley roots infected with one of the fungi or the two of them were extracted by head-space solid phase micro extraction and analyzed by gas chromatography mass spectrometry. The effect of fungal volatiles on barley growth and the effect of barley root volatiles on fungal growth were assessed by cultivating both organisms in a shared atmosphere without any physical contact. The results show that volatile organic compounds, especially terpenes, are newly emitted during the interaction between fungi and barley roots. The volatile molecules released by non-infected barley roots did not significantly affect fungal growth, whereas the volatile molecules released by pathogenic fungi decreased the length of barley roots by 19 to 21.5% and the surface of aerial parts by 15%. The spectrum of the volatiles released by infected barley roots had no significant effect on F. culmorum growth, but decreased C. sativus growth by 13 to 17%. This paper identifies the volatile organic compounds emitted by two pathogenic fungi and shows that pathogenic fungi can modify volatile emission by infected plants. Our results open promising perspectives concerning the biological control of edaphic diseases. PMID:23818966

Fungistatic activity of some perfumes against otomycotic pathogens.

PubMed

Jain, S K; Agrawal, S C

2002-04-01

The sporostatic effect of five otomycotic pathogens, i.e. Aspergillus niger, A. flavus, Absidia corymbifera, Penicillium nigricans and Candida albicans to nine different perfumes was determined on the basis of their spore germination. These organisms were isolated from patients suffering from fungal infection of the external auditory canal. Volatile vapours emanating from musk, phulwari, jasmine, nagchampa and bela caused approximately 100% inhibition in spore germination of all the test fungi. Volatiles emanating from chandan, khas and hina showed no inhibition for the test pathogens, displaying their resistant character to these perfumes.

Typification of cider brandy on the basis of cider used in its manufacture.

PubMed

Rodríguez Madrera, Roberto; Mangas Alonso, Juan J

2005-04-20

A study of typification of cider brandies on the basis of the origin of the raw material used in their manufacture was conducted using chemometric techniques (principal component analysis, linear discriminant analysis, and Bayesian analysis) together with their composition in volatile compounds, as analyzed by gas chromatography with flame ionization to detect the major volatiles and by mass spectrometric to detect the minor ones. Significant principal components computed by a double cross-validation procedure allowed the structure of the database to be visualized as a function of the raw material, that is, cider made from fresh apple juice versus cider made from apple juice concentrate. Feasible and robust discriminant rules were computed and validated by a cross-validation procedure that allowed the authors to classify fresh and concentrate cider brandies, obtaining classification hits of >92%. The most discriminating variables for typifying cider brandies according to their raw material were 1-butanol and ethyl hexanoate.

Room temperature ferroelectricity in one-dimensional single chain molecular magnets [{M(Δ)M(Λ)}(ox)2(phen)2]n (M = Fe and Mn)

NASA Astrophysics Data System (ADS)

Bhatt, Pramod; Mukadam, M. D.; Meena, S. S.; Mishra, S. K.; Mittal, R.; Sastry, P. U.; Mandal, B. P.; Yusuf, S. M.

2017-03-01

The ferroelectric materials are mainly focused on pure inorganic oxides; however, the organic molecule based materials have recently attracted great attention because of their multifunctional properties. The mixing of oxalate and phenanthroline ligands with metal ions (Fe or Mn) at room temperature followed by hydrothermal treatment results in the formation of one-dimensional single chain molecular magnets which exhibit room temperature dielectric and ferroelectric behavior. The compounds are chiral in nature, and exhibit a ferroelectric behavior, attributed to the polar point group C2, in which they crystallized. The compounds are also associated with a dielectric loss and thus a relaxation process. The observed electric dipole moment, essential for a ferroelectricity, has been understood quantitatively in terms of lattice distortions at two different lattice sites within the crystal structure. The studied single chain molecular magnetic materials with room temperature ferroelectric and dielectric properties could be of great technological importance in non-volatile memory elements, and high-performance insulators.

Abundances of volatile-bearing phases in carbonaceous chondrites and cooling rates of meteorites based on cation ordering of orthopyroxenes

NASA Technical Reports Server (NTRS)

Ganguly, Jibamitra

1989-01-01

Results of preliminary calculations of volatile abundances in carbonaceous chondrites are discussed. The method (Ganguly 1982) was refined for the calculation of cooling rate on the basis of cation ordering in orthopyroxenes, and it was applied to the derivation of cooling rates of some stony meteorites. Evaluation of cooling rate is important to the analysis of condensation, accretion, and post-accretionary metamorphic histories of meteorites. The method of orthopyroxene speedometry is widely applicable to meteorites and would be very useful in the understanding of the evolutionary histories of carbonaceous chondrites, especially since the conventional metallographic and fission track methods yield widely different results in many cases. Abstracts are given which summarize the major conclusions of the volatile abundance and cooling rate calculations.

Fukunaga-Koontz transform based dimensionality reduction for hyperspectral imagery

NASA Astrophysics Data System (ADS)

Ochilov, S.; Alam, M. S.; Bal, A.

2006-05-01

Fukunaga-Koontz Transform based technique offers some attractive properties for desired class oriented dimensionality reduction in hyperspectral imagery. In FKT, feature selection is performed by transforming into a new space where feature classes have complimentary eigenvectors. Dimensionality reduction technique based on these complimentary eigenvector analysis can be described under two classes, desired class and background clutter, such that each basis function best represent one class while carrying the least amount of information from the second class. By selecting a few eigenvectors which are most relevant to desired class, one can reduce the dimension of hyperspectral cube. Since the FKT based technique reduces data size, it provides significant advantages for near real time detection applications in hyperspectral imagery. Furthermore, the eigenvector selection approach significantly reduces computation burden via the dimensionality reduction processes. The performance of the proposed dimensionality reduction algorithm has been tested using real-world hyperspectral dataset.

Energy distribution from vertical impact of a three-dimensional solid body onto the flat free surface of an ideal fluid

NASA Astrophysics Data System (ADS)

Scolan, Y.-M.; Korobkin, A. A.

2003-02-01

Hydrodynamic impact phenomena are three dimensional in nature and naval architects need more advanced tools than a simple strip theory to calculate impact loads at the preliminary design stage. Three-dimensional analytical solutions have been obtained with the help of the so-called inverse Wagner problem as discussed by Scolan and Korobkin in 2001. The approach by Wagner provides a consistent way to evaluate the flow caused by a blunt body entering liquid through its free surface. However, this approach does not account for the spray jets and gives no idea regarding the energy evacuated from the main flow by the jets. Clear insight into the jet formation is required. Wagner provided certain elements of the answer for two-dimensional configurations. On the basis of those results, the energy distribution pattern is analysed for three-dimensional configurations in the present paper.

Greed, fear and stock market dynamics

NASA Astrophysics Data System (ADS)

Westerhoff, Frank H.

2004-11-01

We present a behavioral stock market model in which traders are driven by greed and fear. In general, the agents optimistically believe in rising markets and thus buy stocks. But if stock prices change too abruptly, they panic and sell stocks. Our model mimics some stylized facts of stock market dynamics: (1) stock prices increase over time, (2) stock markets sometimes crash, (3) stock prices show little pair correlation between successive daily changes, and (4) periods of low volatility alternate with periods of high volatility. A strong feature of the model is that stock prices completely evolve according to a deterministic low-dimensional nonlinear law of motion.

Rapid Diagnosis of Tuberculosis from Analysis of Urine Volatile Organic Compounds

PubMed Central

Lim, Sung H.; Martino, Raymond; Anikst, Victoria; Xu, Zeyu; Mix, Samantha; Benjamin, Robert; Schub, Herbert; Eiden, Michael; Rhodes, Paul A.; Banaei, Niaz

2017-01-01

The World Health Organization has called for simple, sensitive, and non-sputum diagnostics for tuberculosis. We report development of a urine tuberculosis test using a colorimetric sensor array (CSA). The sensor comprised of 73 different indicators captures high-dimensional, spatiotemporal signatures of volatile chemicals emitted by human urine samples. The sensor responses to 63 urine samples collected from 22 tuberculosis cases and 41 symptomatic controls were measured under five different urine test conditions. Basified testing condition yielded the best accuracy with 85.5% sensitivity and 79.5% specificity. The CSA urine assay offers desired features needed for tuberculosis diagnosis in endemic settings. PMID:29057329

Graphene-Based Reversible Nano-Switch/Sensor Schottky Diode

NASA Technical Reports Server (NTRS)

Miranda, Felix A.; Meador, Michael A.; Theofylaktos, Onoufrios; Pinto, Nicholas J.; Mueller, Carl H.; Santos-Perez, Javier

2010-01-01

This proof-of-concept device consists of a thin film of graphene deposited on an electrodized doped silicon wafer. The graphene film acts as a conductive path between a gold electrode deposited on top of a silicon dioxide layer and the reversible side of the silicon wafer, so as to form a Schottky diode. By virtue of the two-dimensional nature of graphene, this device has extreme sensitivity to different gaseous species, thereby serving as a building block for a volatile species sensor, with the attribute of having reversibility properties. That is, the sensor cycles between active and passive sensing states in response to the presence or absence of the gaseous species.

Mixing times in quantum walks on two-dimensional grids

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

Marquezino, F. L.; Portugal, R.; Abal, G.

2010-10-15

Mixing properties of discrete-time quantum walks on two-dimensional grids with toruslike boundary conditions are analyzed, focusing on their connection to the complexity of the corresponding abstract search algorithm. In particular, an exact expression for the stationary distribution of the coherent walk over odd-sided lattices is obtained after solving the eigenproblem for the evolution operator for this particular graph. The limiting distribution and mixing time of a quantum walk with a coin operator modified as in the abstract search algorithm are obtained numerically. On the basis of these results, the relation between the mixing time of the modified walk and themore » running time of the corresponding abstract search algorithm is discussed.« less

Mixing times in quantum walks on two-dimensional grids

NASA Astrophysics Data System (ADS)

Marquezino, F. L.; Portugal, R.; Abal, G.

2010-10-01

Mixing properties of discrete-time quantum walks on two-dimensional grids with toruslike boundary conditions are analyzed, focusing on their connection to the complexity of the corresponding abstract search algorithm. In particular, an exact expression for the stationary distribution of the coherent walk over odd-sided lattices is obtained after solving the eigenproblem for the evolution operator for this particular graph. The limiting distribution and mixing time of a quantum walk with a coin operator modified as in the abstract search algorithm are obtained numerically. On the basis of these results, the relation between the mixing time of the modified walk and the running time of the corresponding abstract search algorithm is discussed.

Real-Time Time-Frequency Two-Dimensional Imaging of Ultrafast Transient Signals in Solid-State Organic Materials

PubMed Central

Takeda, Jun; Ishida, Akihiro; Makishima, Yoshinori; Katayama, Ikufumi

2010-01-01

In this review, we demonstrate a real-time time-frequency two-dimensional (2D) pump-probe imaging spectroscopy implemented on a single shot basis applicable to excited-state dynamics in solid-state organic and biological materials. Using this technique, we could successfully map ultrafast time-frequency 2D transient absorption signals of β-carotene in solid films with wide temporal and spectral ranges having very short accumulation time of 20 ms per unit frame. The results obtained indicate the high potential of this technique as a powerful and unique spectroscopic tool to observe ultrafast excited-state dynamics of organic and biological materials in solid-state, which undergo rapid photodegradation. PMID:22399879

Endogenous Lunar Volatiles: Insights into the Abundances of Volatiles in the Moon from Lunar Apatite

NASA Technical Reports Server (NTRS)

McCubbin, Francis

2016-01-01

At the time of publication of New Views of the Moon, it was thought that the Moon was bone dry with less than about 1 ppb H2O. However in 2007, initial reports at the 38th Lunar and Planetary Science Conference speculated that H-species were present in both apatites and pyroclastic volcanic lunar glasses. These early reports were later confirmed through peer-review, which motivated many subsequent studies on magmatic volatiles in and on the Moon within the last decade. Some of these studies have cast into question the post-Apollo view of lunar formation, the distribution and sources of volatiles in the Earth-Moon system, and the thermal and magmatic evolution of the Moon. The mineral apatite has been one of the pillars of this new field of study, and it will be the primary focus of this abstract. Although apatite has been used both to understand the abundances of volatiles in lunar systems as well as the isotopic compositions of those volatiles, the focus here will be on the abundances of F, Cl, and H2O. This work demonstrates the utility of apatite in advancing our understanding of lunar volatiles, hence apatite should be among the topics covered in the endogenous lunar volatile chapter in NVM II. Truncated ternary plot of apatite X-site occupancy (mol%) from highlands apatite and mare basalt apatite plotted on the relative volatile abundance diagram from. The solid black lines delineate fields of relative abundances of F, Cl, and H2O (on a weight basis) in the melt from which the apatite crystallized. The diagram was constructed using available apatite/melt partitioning data for fluorine, chlorine, and hydroxyl.

Volatile and semivolatile organic compounds in laboratory peat fire emissions

NASA Astrophysics Data System (ADS)

George, Ingrid J.; Black, Robert R.; Geron, Chris D.; Aurell, Johanna; Hays, Michael D.; Preston, William T.; Gullett, Brian K.

2016-05-01

In this study, volatile and semi-volatile organic compound (VOCs and SVOCs) mass emission factors were determined from laboratory peat fire experiments. The peat samples originated from two National Wildlife Refuges on the coastal plain of North Carolina, U.S.A. Gas- and particle-phase organic compounds were quantified by gas chromatography-mass spectrometry and by high pressure liquid chromatography. Hazardous air pollutants (HAPs) accounted for a large fraction (∼60%) of the speciated VOC emissions from peat burning, including large contributions of acetaldehyde, formaldehyde, benzene, toluene, and chloromethane. In the fine particle mass (PM2.5), the following organic compound classes were dominant: organic acids, levoglucosan, n-alkanes, and n-alkenes. Emission factors for the organic acids in PM2.5 including n-alkanoic acids, n-alkenoic acids, n-alkanedioic acids, and aromatic acids were reported for the first time for peat burning, representing the largest fraction of organic carbon (OC) mass (11-12%) of all speciated compound classes measured in this work. Levoglucosan contributed to 2-3% of the OC mass, while methoxyphenols represented 0.2-0.3% of the OC mass on a carbon mass basis. Retene was the most abundant particulate phase polycyclic aromatic hydrocarbon (PAH). Total HAP VOC and particulate PAH emissions from a 2008 peat wildfire in North Carolina were estimated, suggesting that peat fires can contribute a large fraction of state-wide HAP emissions.

Demonstration of Novel Sampling Techniques for Measurement of Turbine Engine Volatile and Non-Volatile Particulate Matter (PM) Emissions

DTIC Science & Technology

2017-03-06

WP-201317) Demonstration of Novel Sampling Techniques for Measurement of Turbine Engine Volatile and Non -volatile Particulate Matter (PM...Engine Volatile and Non -Volatile Particulate Matter (PM) Emissions 6. AUTHOR(S) E. Corporan, M. DeWitt, C. Klingshirn, M.D. Cheng, R. Miake-Lye, J. Peck...the performance and viability of two devices to condition aircraft turbine engine exhaust to allow the accurate measurement of total (volatile and non

A primary exploration to quasi-two-dimensional rare-earth ferromagnetic particles: holmium-doped MoS2 sheet as room-temperature magnetic semiconductor

NASA Astrophysics Data System (ADS)

Chen, Xi; Lin, Zheng-Zhe

2018-05-01

Recently, two-dimensional materials and nanoparticles with robust ferromagnetism are even of great interest to explore basic physics in nanoscale spintronics. More importantly, room-temperature magnetic semiconducting materials with high Curie temperature is essential for developing next-generation spintronic and quantum computing devices. Here, we develop a theoretical model on the basis of density functional theory calculations and the Ruderman-Kittel-Kasuya-Yoshida theory to predict the thermal stability of two-dimensional magnetic materials. Compared with other rare-earth (dysprosium (Dy) and erbium (Er)) and 3 d (copper (Cu)) impurities, holmium-doped (Ho-doped) single-layer 1H-MoS2 is proposed as promising semiconductor with robust magnetism. The calculations at the level of hybrid HSE06 functional predict a Curie temperature much higher than room temperature. Ho-doped MoS2 sheet possesses fully spin-polarized valence and conduction bands, which is a prerequisite for flexible spintronic applications.

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2

PubMed Central

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Abstract Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS2) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials. PMID:27877869

Computerized mappings of the cerebral cortex: a multiresolution flattening method and a surface-based coordinate system

NASA Technical Reports Server (NTRS)

Drury, H. A.; Van Essen, D. C.; Anderson, C. H.; Lee, C. W.; Coogan, T. A.; Lewis, J. W.

1996-01-01

We present a new method for generating two-dimensional maps of the cerebral cortex. Our computerized, two-stage flattening method takes as its input any well-defined representation of a surface within the three-dimensional cortex. The first stage rapidly converts this surface to a topologically correct two-dimensional map, without regard for the amount of distortion introduced. The second stage reduces distortions using a multiresolution strategy that makes gross shape changes on a coarsely sampled map and further shape refinements on progressively finer resolution maps. We demonstrate the utility of this approach by creating flat maps of the entire cerebral cortex in the macaque monkey and by displaying various types of experimental data on such maps. We also introduce a surface-based coordinate system that has advantages over conventional stereotaxic coordinates and is relevant to studies of cortical organization in humans as well as non-human primates. Together, these methods provide an improved basis for quantitative studies of individual variability in cortical organization.

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

DOE PAGES

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; ...

2017-08-09

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks

PubMed Central

Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung; Jang, Bo-Gyu; Kim, Joo-Youn; Jin, Gangtae; Lee, Donghun; Ahn, Ji-Hoon; Lee, Myoung-Jae; Shim, Ji Hoon; Choi, Hyunyong; Jo, Moon-Ho

2015-01-01

Two-dimensional stacks of dissimilar hexagonal monolayers exhibit unusual electronic, photonic and photovoltaic responses that arise from substantial interlayer excitations. Interband excitation phenomena in individual hexagonal monolayer occur in states at band edges (valleys) in the hexagonal momentum space; therefore, low-energy interlayer excitation in the hexagonal monolayer stacks can be directed by the two-dimensional rotational degree of each monolayer crystal. However, this rotation-dependent excitation is largely unknown, due to lack in control over the relative monolayer rotations, thereby leading to momentum-mismatched interlayer excitations. Here, we report that light absorption and emission in MoS2/WS2 monolayer stacks can be tunable from indirect- to direct-gap transitions in both spectral and dynamic characteristics, when the constituent monolayer crystals are coherently stacked without in-plane rotation misfit. Our study suggests that the interlayer rotational attributes determine tunable interlayer excitation as a new set of basis for investigating optical phenomena in a two-dimensional hexagonal monolayer system. PMID:26099952

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

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

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Hydrologic Process Parameterization of Electrical Resistivity Imaging of Solute Plumes Using POD McMC

NASA Astrophysics Data System (ADS)

Awatey, M. T.; Irving, J.; Oware, E. K.

2016-12-01

Markov chain Monte Carlo (McMC) inversion frameworks are becoming increasingly popular in geophysics due to their ability to recover multiple equally plausible geologic features that honor the limited noisy measurements. Standard McMC methods, however, become computationally intractable with increasing dimensionality of the problem, for example, when working with spatially distributed geophysical parameter fields. We present a McMC approach based on a sparse proper orthogonal decomposition (POD) model parameterization that implicitly incorporates the physics of the underlying process. First, we generate training images (TIs) via Monte Carlo simulations of the target process constrained to a conceptual model. We then apply POD to construct basis vectors from the TIs. A small number of basis vectors can represent most of the variability in the TIs, leading to dimensionality reduction. A projection of the starting model into the reduced basis space generates the starting POD coefficients. At each iteration, only coefficients within a specified sampling window are resimulated assuming a Gaussian prior. The sampling window grows at a specified rate as the number of iteration progresses starting from the coefficients corresponding to the highest ranked basis to those of the least informative basis. We found this gradual increment in the sampling window to be more stable compared to resampling all the coefficients right from the first iteration. We demonstrate the performance of the algorithm with both synthetic and lab-scale electrical resistivity imaging of saline tracer experiments, employing the same set of basis vectors for all inversions. We consider two scenarios of unimodal and bimodal plumes. The unimodal plume is consistent with the hypothesis underlying the generation of the TIs whereas bimodality in plume morphology was not theorized. We show that uncertainty quantification using McMC can proceed in the reduced dimensionality space while accounting for the physics of the underlying process.

Wavepacket propagation using time-sliced semiclassical initial value methods

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

Wallace, Brett B.; Reimers, Jeffrey R.; School of Chemistry, University of Sydney, Sydney NSW 2006

2004-12-22

A new semiclassical initial value representation (SC-IVR) propagator and a SC-IVR propagator originally introduced by Kay [J. Chem. Phys. 100, 4432 (1994)], are investigated for use in the split-operator method for solving the time-dependent Schroedinger equation. It is shown that the SC-IVR propagators can be derived from a procedure involving modified Filinov filtering of the Van Vleck expression for the semiclassical propagator. The two SC-IVR propagators have been selected for investigation because they avoid the need to perform a coherent state basis set expansion that is necessary in other time-slicing propagation schemes. An efficient scheme for solving the propagators ismore » introduced and can be considered to be a semiclassical form of the effective propagators of Makri [Chem. Phys. Lett. 159, 489 (1989)]. Results from applications to a one-dimensional, two-dimensional, and three-dimensional Hamiltonian for a double-well potential are presented.« less

Nanomaterials Based on DNA

PubMed Central

Seeman, Nadrian C.

2012-01-01

The combination of synthetic stable branched DNA and sticky ended cohesion has led to the development of structural DNA nanotechnology over the past 30 years. The basis of this enterprise is that it is possible to construct novel DNA-based materials by combining these features in a self-assembly protocol. Thus, simple branched molecules lead directly to the construction of polyhedra whose edges consist of double helical DNA, and whose vertices correspond to the branch points. Stiffer branched motifs can be used to produce self-assembled two-dimensional and three-dimensional periodic lattices of DNA (crystals). DNA has also been used to make a variety of nanomechanical devices, including molecules that change their shapes, and molecules that can walk along a DNA sidewalk. Devices have been incorporated into two-dimensional DNA arrangements; sequence-dependent devices are driven by increases in nucleotide pairing at each step in their machine cycles. PMID:20222824

High temperature diaphragm valve-based comprehensive two-dimensional gas chromatography.

PubMed

Freye, Chris E; Mu, Lan; Synovec, Robert E

2015-12-11

A high-temperature diaphragm valve-based comprehensive two-dimensional gas chromatography (GC×GC) instrument is demonstrated which readily allows separations up to 325°C. Previously, diaphragm valve-based GC×GC was limited to 175°C if the valve was mounted in the oven, or limited to 265°C if the valve was faced mounted on the outside of the oven. A new diaphragm valve has been commercially developed, in which the temperature sensitive O-rings that previously limited the separation temperatures have been replaced with Kalrez O-rings, a perfluoroelastomer, allowing for significantly higher temperatures permitting a greater range of volatile and semi-volatile compounds to be readily separated. In the current investigation, a separation temperature up to 325°C is demonstrated with the valve mounted directly in the oven. Since the temperature limit for most commonly used GC columns is at or below 325°C, the scope of diaphragm valve-based GC×GC is now dramatically broadened to encompass a majority of all column stationary phase chemistries. A 44-component mixture of alkanes, alcohols, and polyaromatic hydrocarbons is used to study this new configuration whose boiling points range from 98°C (n-heptane) to 450°C (n-triacontane). For the test mixture using a modulation period PM of 1.0s, peak shapes on second dimension separations, (2)D, are symmetric with average widths at base of 79.4ms, producing a (2)D peak capacity of (2)nc∼12. Based on the average peak width of 2.4s for the first dimension separation with a run time of 32.5min, the (1)D peak capacity is (1)nc∼800. Thus, the ideal two-dimensional peak capacity [Formula: see text] is 9600. Little variation in within-analyte (2)D peak width was observed with an average %RSD of less than 3.0%. Furthermore, retention time on (2)D was very reproducible with an average %RSD less than 0.5%. Measured peak areas (sum of all (2)D peaks for given analyte) had an average %RSD of 4.4%. The transfer fraction from (1)D to (2)D was experimentally determined to be ∼30%, while the detection sensitivity for valve-based GC×GC was ∼8 times higher than one dimensional GC due to zone compression. After a year of use with temperatures consistently up to 325°C, there has been no deterioration of the valve or its performance for GC×GC. Separations of vacuum pump oil and orange oil are also reported to demonstrate practical utility. Copyright © 2015 Elsevier B.V. All rights reserved.

Analysis of alkyl phosphates in petroleum samples by comprehensive two-dimensional gas chromatography with nitrogen phosphorus detection and post-column Deans switching.

PubMed

Nizio, Katie D; Harynuk, James J

2012-08-24

Alkyl phosphate based gellants used as viscosity builders for fracturing fluids used in the process of hydraulic fracturing have been implicated in numerous refinery-fouling incidents in North America. In response, industry developed an inductively coupled plasma optical emission spectroscopy (ICP-OES) based method for the analysis of total volatile phosphorus in distillate fractions of crude oil; however, this method is plagued by poor precision and a high limit of detection (0.5±1μg phosphorus mL(-1)). Furthermore this method cannot provide speciation information, which is critical for developing an understanding of the challenge of alkyl phosphates at a molecular level. An approach using comprehensive two-dimensional gas chromatography with nitrogen phosphorus detection (GC×GC-NPD) and post-column Deans switching is presented. This method provides qualitative and quantitative profiles of alkyl phosphates in industrial petroleum samples with increased precision and at levels comparable to or below those achievable by ICP-OES. A recovery study in a fracturing fluid sample and a profiling study of alkyl phosphates in four recovered fracturing fluid/crude oil mixtures (flowback) are also presented. Copyright © 2012 Elsevier B.V. All rights reserved.

Fully inkjet-printed two-dimensional material field-effect heterojunctions for wearable and textile electronics.

PubMed

Carey, Tian; Cacovich, Stefania; Divitini, Giorgio; Ren, Jiesheng; Mansouri, Aida; Kim, Jong M; Wang, Chaoxia; Ducati, Caterina; Sordan, Roman; Torrisi, Felice

2017-10-31

Fully printed wearable electronics based on two-dimensional (2D) material heterojunction structures also known as heterostructures, such as field-effect transistors, require robust and reproducible printed multi-layer stacks consisting of active channel, dielectric and conductive contact layers. Solution processing of graphite and other layered materials provides low-cost inks enabling printed electronic devices, for example by inkjet printing. However, the limited quality of the 2D-material inks, the complexity of the layered arrangement, and the lack of a dielectric 2D-material ink able to operate at room temperature, under strain and after several washing cycles has impeded the fabrication of electronic devices on textile with fully printed 2D heterostructures. Here we demonstrate fully inkjet-printed 2D-material active heterostructures with graphene and hexagonal-boron nitride (h-BN) inks, and use them to fabricate all inkjet-printed flexible and washable field-effect transistors on textile, reaching a field-effect mobility of ~91 cm 2  V -1  s -1 , at low voltage (<5 V). This enables fully inkjet-printed electronic circuits, such as reprogrammable volatile memory cells, complementary inverters and OR logic gates.

Advanced Characterization of Semivolatile Organic Compounds Emitted from Biomass Burning

NASA Astrophysics Data System (ADS)

Hatch, L. E.; Liu, Y.; Rivas-Ubach, A.; Shaw, J. B.; Lipton, M. S.; Barsanti, K. C.

2016-12-01

Biomass burning (BB) emits large amounts of non-methane organic gases (NMOGs) and primary (directly emitted) particulate matter (PM). NMOGs also react in plume to form secondary PM (i.e., SOA) and ozone. BB-PM has been difficult to represent accurately in models used for chemistry and climate predictions, including for air quality and fire management purposes. Much recent research supports that many previously unconsidered SOA precursors exist, including oxidation of semivolatile compounds (SVOCs). Although many recent studies have characterized relatively volatile BB-derived NMOGs and relatively non-volatile particle-phase organic species, comparatively few studies have performed detailed characterization of SVOCs emitted from BB. Here we present efforts to expand the volatility and compositional ranges of compounds measured in BB smoke. In this work, samples of SVOCs in gas and particle phases were collected from 18 fires representing a range of fuel types during the 2016 FIREX fire laboratory campaign; samples were analyzed by two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-TOFMS) and Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS). Hundreds of compounds were detectable in both gas and particle phases by GCxGC-TOFMS whereas thousands of peaks were present in the FTICR mass spectra. Data from both approaches highlight that chemical fingerprints of smoke are fuel/burn-dependent. These efforts support our continued research in building the understanding and model representation of BB emissions and BB-derived SOA.

Advanced Characterization of Semivolatile Organic Compounds Emitted from Biomass Burning

NASA Astrophysics Data System (ADS)

Hatch, L. E.; Liu, Y.; Rivas-Ubach, A.; Shaw, J. B.; Lipton, M. S.; Barsanti, K. C.

2017-12-01

Biomass burning (BB) emits large amounts of non-methane organic gases (NMOGs) and primary (directly emitted) particulate matter (PM). NMOGs also react in plume to form secondary PM (i.e., SOA) and ozone. BB-PM has been difficult to represent accurately in models used for chemistry and climate predictions, including for air quality and fire management purposes. Much recent research supports that many previously unconsidered SOA precursors exist, including oxidation of semivolatile compounds (SVOCs). Although many recent studies have characterized relatively volatile BB-derived NMOGs and relatively non-volatile particle-phase organic species, comparatively few studies have performed detailed characterization of SVOCs emitted from BB. Here we present efforts to expand the volatility and compositional ranges of compounds measured in BB smoke. In this work, samples of SVOCs in gas and particle phases were collected from 18 fires representing a range of fuel types during the 2016 FIREX fire laboratory campaign; samples were analyzed by two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-TOFMS) and Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS). Hundreds of compounds were detectable in both gas and particle phases by GCxGC-TOFMS whereas thousands of peaks were present in the FTICR mass spectra. Data from both approaches highlight that chemical fingerprints of smoke are fuel/burn-dependent. These efforts support our continued research in building the understanding and model representation of BB emissions and BB-derived SOA.

Direct screening and confirmation of priority volatile organic pollutants in drinking water.

PubMed

Caro, J; Serrano, A; Gallego, M

2007-01-05

A screening tool was proposed for the rapid detection of eight priority volatile organic pollutants according to European standards in drinking water. The method is based on the direct coupling of a headspace sampler with a mass spectrometer, using a chromatographic column heated to 175 degrees C as an interface. The water sample was subjected to the headspace extraction process and the volatile fraction was introduced directly into the mass spectrometer, without prior chromatographic separation, achieving low detection limits (0.6-1.2 ng/ml) for all compounds. The mass spectrum resulting from the simultaneous ionization and fragmentation of the mixture of molecules constitutes the volatile profile of each sample. An appropriate chemometric treatment of these signals permitted them to be classified, on the basis of their volatile composition, as contaminated or uncontaminated with respect to the legally established concentration levels for these compounds in drinking water, and providing no false negatives. A conventional confirmation method was carried out to analyze positive water samples by using the same instrumental setup as in the screening method, but using an appropriate temperature program in the chromatographic column to separate, identify and quantify each analyte.

The effects of diet and breed on the volatile compounds of cooked lamb.

PubMed

Elmore, J S; Mottram, D S; Enser, M; Wood, J D

2000-06-01

The effect of varying the n-3 polyunsaturated fatty acid (PUFA) composition of lamb muscle on the formation of aroma volatiles during cooking has been examined. The meat was obtained from four groups of Suffolk and Soay lambs fed different supplementary fats: a palm-oil based control; bruised whole linseed, which increased muscle levels of α-linolenic acid (C18:3 n-3); fish oil, which increased eicosapentaenoic acid (EPA, C20:5 n-3) and docosahexaenoic acid (DHA, C22:6 n-3); and equal quantities of linseed and fish oil (fat basis). Higher quantities of lipid oxidation products were found in the aroma volatiles of lamb muscle from animals fed fish oil, compared to the control. In particular, unsaturated aldehydes, unsaturated hydrocarbons and alkylfurans increased up to fourfold. These compounds derived from the autoxidation of PUFAs during cooking. Although some of these volatiles were increased in meat from animals fed the linseed supplement, the effect was not as great as with the fish oil fed lambs. Levels of volatiles derived from the Maillard reaction, such as pyrazines and sulfur compounds, were up to four times higher in Soays than Suffolks.

Uniform electron gases. III. Low-density gases on three-dimensional spheres.

PubMed

Agboola, Davids; Knol, Anneke L; Gill, Peter M W; Loos, Pierre-François

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids - the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) - and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.

Use of Molecular Modeling to Determine the Interaction and Competition of Gases within Coal for Carbon Dioxide Sequestration

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

Jeffrey D. Evanseck; Jeffry D. Madura

A 3-dimensional coal structural model for the Argonne Premium Coal Pocahontas No. 3 has been generated. The model was constructed based on the wealth of structural information available in the literature with the enhancement that the structural diversity within the structure was represented implicitly (for the first time) based on image analysis of HRTEM in combination with LDMS data. The complex and large structural model (>10,000 carbon atoms) will serve as a basis for examining the interaction of gases within this low volatile bituminous coal. Simulations are of interest to permit reasonable simulations of the host-guest interactions with regard tomore » carbon dioxide sequestration within coal and methane displacement from coal. The molecular structure will also prove useful in examining other coal related behavior such as solvent swelling, liquefaction and other properties. Molecular models of CO{sub 2} have been evaluated with water to analyze which classical molecular force-field parameters are the most reasonable to predict the interactions of CO{sub 2} with water. The comparison of the molecular force field models was for a single CO{sub 2}-H{sub 2}O complex and was compared against first principles quantum mechanical calculations. The interaction energies and the electrostatic interaction distances were used as criteria in the comparison. The ab initio calculations included Hartree-Fock, B3LYP, and Moeller-Plesset 2nd, 3rd, and 4th order perturbation theories with basis sets up to the aug-cc-pvtz basis set. The Steele model was the best literature model, when compared to the ab initio data, however, our new CO{sub 2} model reproduces the QM data significantly better than the Steele force-field model.« less

Superconductivity in engineered two-dimensional electron gases

NASA Astrophysics Data System (ADS)

Chubukov, Andrey V.; Kivelson, Steven A.

2017-11-01

We consider Kohn-Luttinger mechanism for superconductivity in a two-dimensional electron gas confined to a narrow well between two grounded metallic planes with two occupied subbands with Fermi momenta kF L>kF S . On the basis of a perturbative analysis, we conclude that non-s -wave superconductivity emerges even when the bands are parabolic. We analyze the conditions that maximize Tc as a function of the distance to the metallic planes, the ratio kF L/kF S , and rs, which measures the strength of Coulomb correlations. The largest attraction is in p -wave and d -wave channels, of which p wave is typically the strongest. For rs=O (1 ) we estimate that the dimensionless coupling λ ≈10-1 , but it likely continues increasing for larger rs (where we lose theoretical control).

Application of a label-free, gel-free quantitative proteomics method for ecotoxicological studies of small fish species

EPA Science Inventory

Although two-dimensional electrophoresis (2D-GE) remains the basis for many ecotoxicoproteomic analyses, new, non gel-based methods are beginning to be applied to overcome throughput and coverage limitations of 2D-GE. The overall objective of our research was to apply a comprehe...

A two-state hysteresis model from high-dimensional friction

PubMed Central

Biswas, Saurabh; Chatterjee, Anindya

2015-01-01

In prior work (Biswas & Chatterjee 2014 Proc. R. Soc. A 470, 20130817 (doi:10.1098/rspa.2013.0817)), we developed a six-state hysteresis model from a high-dimensional frictional system. Here, we use a more intuitively appealing frictional system that resembles one studied earlier by Iwan. The basis functions now have simple analytical description. The number of states required decreases further, from six to the theoretical minimum of two. The number of fitted parameters is reduced by an order of magnitude, to just six. An explicit and faster numerical solution method is developed. Parameter fitting to match different specified hysteresis loops is demonstrated. In summary, a new two-state model of hysteresis is presented that is ready for practical implementation. Essential Matlab code is provided. PMID:26587279

Design evaluations for a flight cloud physics holocamera. [holographic/photographic camera for low-g Atmospheric Cloud Physics Laboratory

NASA Technical Reports Server (NTRS)

Moore, W. W., Jr.; Kurtz, R. L.; Lemons, J. F.

1976-01-01

The paper describes a holographic/photographic camera to be used with the zero-g or low-g Atmospheric Cloud Physics Laboratory. The flight prototype holocamera is intended to record particles from 0.01 to 5 microns for an optimum two-dimensional plane only in the microscopic photography mode, particles on a volume basis in the in-line holography mode from 5 microns up, and all particle sizes possible on a volume basis in the acute sideband holography mode.

Depth and Horizontal Distribution of Volatiles in Lunar Permanently Shadowed Regions

NASA Astrophysics Data System (ADS)

Hurley, D. M.; Bussey, B.; Lawrence, D. J.; Gladstone, R.; Elphic, R. C.; Vondrak, R. R.

2011-12-01

Neutron spectroscopy from Lunar Prospector returned data consistent with the presence of water ice in the near-subsurface of the Moon in permanently shadowed regions (PSRs) at low spatial resolution. Clementine and ground-based radar returned tantalizing, but inconclusive evidence of ice in lunar PSRs. Later, Mini-RF on Chandrayaan-1 and LRO detected a signature consistent with water ice in some polar craters on the Moon, but not all PSRs. Similarly, LEND on LRO detected a heterogeneous distribution of hydrogen among lunar PSRs. In addition, LAMP on LRO detected FUV spectra consistent with a heterogeneous distribution of frost on the surface of permanently shadowed regions. Yet the weakest spectral feature from LAMP was associated with the crater with the strongest hydrogen feature from LEND. The impact of LCROSS into Cabeus released water and other volatiles, but abundances were higher than the background amounts detected by neutron spectroscopy implying heterogeneity within that PSR. Data from any one instrument taken alone would lead one to a different conclusion about the distribution of volatiles than data taken from any other single instrument. Although the data from different instrumentation can seem to be disparate, the apparent discrepancy results from the different fields of view and sensitivities of the detection techniques. The complementary nature of these data can be exploited to provide a multi-dimensional view of volatiles in lunar PSRs. We apply a Monte Carlo model to describe the retention and redistribution of volatiles within lunar cold traps. The model runs constrain the coherence of volatile deposits with depth, area, and time, which allows us to examine how a given volatile distribution would appear to remote sensing experiments. This provides a big picture framework for integrating the observations of volatiles on the surface and at depth at the poles of the Moon with the goal of finding a distribution of volatiles in lunar PSRs consistent with all of the data.

76 FR 23351 - Self-Regulatory Organizations; The NASDAQ Stock Market LLC; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-26

... Exchange would also be able to temporarily deactivate OPP from time to time on an intraday basis at its... intraday OPP deactivation due to volatility and any subsequent intraday reactivation by the Exchange...

Analysis of Floral Volatile Components and Antioxidant Activity of Different Varieties of Chrysanthemum morifolium.

PubMed

Yang, Lu; Cheng, Ping; Wang, Jin-Hui; Li, Hong

2017-10-23

This study investigated the volatile flavor compounds and antioxidant properties of the essential oil of chrysanthemums that was extracted from the fresh flowers of 10 taxa of Chrysanthemum morifolium from three species; namely Dendranthema morifolium (Ramat.) Yellow, Dendranthema morifolium (Ramat.) Red, Dendranthema morifolium (Ramat.) Pink, Dendranthema morifolium (Ramat.) White, Pericallis hybrid Blue, Pericallis hybrid Pink, Pericallis hybrid Purple, Bellis perennis Pink, Bellis perennis Yellow, and Bellis perennis White. The antioxidant capacity of the essential oil was assayed by spectrophotometric analysis. The volatile flavor compounds from the fresh flowers were collected using dynamic headspace collection, analyzed using auto thermal desorber-gas chromatography/mass spectrometry, and identified with quantification using the external standard method. The antioxidant activities of Chrysanthemum morifolium were evaluated by DPPH and FRAP assays, and the results showed that the antioxidant activity of each sample was not the same. The different varieties of fresh Chrysanthemum morifolium flowers were distinguished and classified by fingerprint similarity evaluation, principle component analysis (PCA), and cluster analysis. The results showed that the floral volatile component profiles were significantly different among the different Chrysanthemum morifolium varieties. A total of 36 volatile flavor compounds were identified with eight functional groups: hydrocarbons, terpenoids, aromatic compounds, alcohols, ketones, ethers, aldehydes, and esters. Moreover, the variability among Chrysanthemum morifolium in basis to the data, and the first three principal components (PC1, PC2, and PC3) accounted for 96.509% of the total variance (55.802%, 30.599%, and 10.108%, respectively). PCA indicated that there were marked differences among Chrysanthemum morifolium varieties. The cluster analysis confirmed the results of the PCA analysis. In conclusion, the results of this study provide a basis for breeding Chrysanthemum cultivars with desirable floral scents, and they further support the view that some plants are promising sources of natural antioxidants.

Induction of trap formation in nematode-trapping fungi by bacteria-released ammonia.

PubMed

Su, H N; Xu, Y Y; Wang, X; Zhang, K Q; Li, G H

2016-04-01

A total of 11 bacterial strains were assayed for bacteria-induced trap formation in the nematode-trapping fungus Arthrobotrys oligospora YMF1·01883 with two-compartmented Petri dish. These strains were identified on the basis of their 16S rRNA gene sequences. Volatile organic compounds (VOCs) of eight isolates were extracted using solid-phase micro-extraction (SPME) and their structures were identified based on gas chromatography-mass spectrometry (GC-MS). At the same time, all isolates were used for quantitative measurement of ammonia by the indophenol blue method. The effects of pure commercial compounds on inducement of trap formation in A. oligospora were tested. Taken together, results demonstrated that the predominant bacterial volatile compound inducing trap formation was ammonia. Meanwhile, ammonia also played a role in other nematode-trapping fungi, including Arthrobotrys guizhouensis YMF1·00014, producing adhesive nets; Dactylellina phymatopaga YMF1·01474, producing adhesive knobs; Dactylellina cionopaga YMF1·01472, producing adhesive columns and Drechslerella brochopaga YMF1·01829, producing constricting rings. © 2016 The Society for Applied Microbiology.

Combustor exhaust-emissions and blowout-limits with diesel number 2 and Jet A fuels utilizing air-atomizing and pressure-atomizing nozzles

NASA Technical Reports Server (NTRS)

Ingebo, R. D.; Norgren, C. T.

1975-01-01

The effect of fuel properties on exhaust emissions and blowout limits of a high-pressure combustor segment is evaluated using a splash-groove air-atomizing fuel injector and a pressure-atomizing simplex fuel nozzle to burn both diesel number 2 and Jet A fuels. Exhaust emissions and blowout data are obtained and compared on the basis of the aromatic content and volatility of the two fuels. Exhaust smoke number and emission indices for oxides of nitrogen, carbon monoxide, and unburned hydrocarbons are determined for comparison. As compared to the pressure-atomizing nozzle, the air-atomizing nozzle is found to reduce nitrogen oxides by 20%, smoke number by 30%, carbon monoxide by 70%, and unburned hydrocarbons by 50% when used with diesel number 2 fuel. The higher concentration of aromatics and lower volatility of diesel number 2 fuel as compared to Jet A fuel appears to have the most detrimental effect on exhaust emissions. Smoke number and unburned hydrocarbons are twice as high with diesel number 2 as with Jet A fuel.

Influence of aeration on volatile sulfur compounds (VSCs) and NH3 emissions during aerobic composting of kitchen waste.

PubMed

Zhang, Hongyu; Li, Guoxue; Gu, Jun; Wang, Guiqin; Li, Yangyang; Zhang, Difang

2016-12-01

This study investigates the influence of aeration on volatile sulfur compounds (VSCs) and ammonia (NH 3 ) emissions during kitchen waste composting. Aerobic composting of kitchen waste and cornstalks was conducted at a ratio of 85:15 (wet weight basis) in 60L reactors for 30days. The gas emissions were analyzed with force aeration at rates of 0.1 (A1), 0.2 (A2) and 0.3 (A3) L (kgDMmin) -1 , respectively. Results showed that VSCs emission at the low aeration rate (A1) was more significant than that at other two rates (i.e., A2 and A3 treatment), where no considerable emission difference was observed. On the other hand, NH 3 emission reduced as the aeration rate decreased. It is noteworthy that the aeration rate did not significantly affect the compost quality. These results suggest that the aeration rate of 0.2L (kgDMmin) -1 may be applied to control VSCs and NH 3 emissions during kitchen waste composting. Copyright © 2016 Elsevier Ltd. All rights reserved.

Essential oil yield and composition of Pistacia vera 'Kerman' fruits, peduncles and leaves grown in California.

PubMed

Dragull, Klaus; Beck, John J; Merrill, Glory B

2010-03-15

Pistacia vera 'Kerman' is the predominant pistachio nut cultivar in the United States (California), the world's second largest producer. Despite several reports on the essential oil (EO) content in the genus Pistacia, data on 'Kerman' are limited. The EO content and volatile organic compound (VOC) emissions of tree nut orchards are of current interest to researchers investigating insect pests and the potential role of EO and VOCs as semiochemicals. To establish a basis for the VOC output of pistachios, the EO content of fruits, peduncles, and leaves was analyzed. Evaluated plant parts contained limonene as the primary EO component, followed by alpha-terpinolene. Peduncles were unique in containing relatively high levels of alpha-thujene. The results were reproducible between two different geographical locations. In situ solid phase microextraction (SPME) studies demonstrated the volatile emission was representative of the EO composition. This is the first report detailing the content and distribution of EO and the unique limonene-dominant profile for this Pistacia vera cultivar which may influence pistachio insect pest semiochemical research.

Chemical and biological characterization of products of incomplete combustion from the simulated field burning of agricultural plastic.

PubMed

Linak, W P; Ryan, J V; Perry, E; Williams, R W; DeMarini, D M

1989-06-01

Chemical and biological analyses were performed to characterize products of incomplete combustion emitted during the simulated open field burning of agricultural plastic. A small utility shed equipped with an air delivery system was used to simulate pile burning and forced-air-curtain incineration of a nonhalogenated agricultural plastic that reportedly consisted of polyethylene and carbon black. Emissions were analyzed for combustion gases; volatile, semi-volatile, and particulate organics; and toxic and mutagenic properties. Emission samples, as well as samples of the used (possibly pesticide-contaminated) plastic, were analyzed for the presence of several pesticides to which the plastic may have been exposed. Although a variety of alkanes, alkenes, and aromatic and polycyclic aromatic hydrocarbon (PAH) compounds were identified in the volatile, semi-volatile, and particulate fractions of these emissions, a substantial fraction of higher molecular weight organic material was not identified. No pesticides were identified in either combustion emission samples or dichloromethane washes of the used plastic. When mutagenicity was evaluated by exposing Salmonella bacteria (Ames assay) to whole vapor and vapor/particulate emissions, no toxic or mutagenic effects were observed. However, organic extracts of the particulate samples were moderately mutagenic. This mutagenicity compares approximately to that measured from residential wood heating on a revertant per unit heat release basis. Compared to pile burning, forced air slightly decreased the time necessary to burn a charge of plastic. There was not a substantial difference, however, in the variety or concentrations of organic compounds identified in samples from these two burn conditions. This study highlights the benefits of a combined chemical/biological approach to the characterization of complex, multi-component combustion emissions. These results may not reflect those of other types of plastic that may be used for agricultural purposes, especially those containing halogens.

Reduced basis ANOVA methods for partial differential equations with high-dimensional random inputs

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

Liao, Qifeng, E-mail: liaoqf@shanghaitech.edu.cn; Lin, Guang, E-mail: guanglin@purdue.edu

2016-07-15

In this paper we present a reduced basis ANOVA approach for partial deferential equations (PDEs) with random inputs. The ANOVA method combined with stochastic collocation methods provides model reduction in high-dimensional parameter space through decomposing high-dimensional inputs into unions of low-dimensional inputs. In this work, to further reduce the computational cost, we investigate spatial low-rank structures in the ANOVA-collocation method, and develop efficient spatial model reduction techniques using hierarchically generated reduced bases. We present a general mathematical framework of the methodology, validate its accuracy and demonstrate its efficiency with numerical experiments.

Comprehensive two-dimensional gas chromatography and food sensory properties: potential and challenges.

PubMed

Cordero, Chiara; Kiefl, Johannes; Schieberle, Peter; Reichenbach, Stephen E; Bicchi, Carlo

2015-01-01

Modern omics disciplines dealing with food flavor focus the analytical efforts on the elucidation of sensory-active compounds, including all possible stimuli of multimodal perception (aroma, taste, texture, etc.) by means of a comprehensive, integrated treatment of sample constituents, such as physicochemical properties, concentration in the matrix, and sensory properties (odor/taste quality, perception threshold). Such analyses require detailed profiling of known bioactive components as well as advanced fingerprinting techniques to catalog sample constituents comprehensively, quantitatively, and comparably across samples. Multidimensional analytical platforms support comprehensive investigations required for flavor analysis by combining information on analytes' identities, physicochemical behaviors (volatility, polarity, partition coefficient, and solubility), concentration, and odor quality. Unlike other omics, flavor metabolomics and sensomics include the final output of the biological phenomenon (i.e., sensory perceptions) as an additional analytical dimension, which is specifically and exclusively triggered by the chemicals analyzed. However, advanced omics platforms, which are multidimensional by definition, pose challenging issues not only in terms of coupling with detection systems and sample preparation, but also in terms of data elaboration and processing. The large number of variables collected during each analytical run provides a high level of information, but requires appropriate strategies to exploit fully this potential. This review focuses on advances in comprehensive two-dimensional gas chromatography and analytical platforms combining two-dimensional gas chromatography with olfactometry, chemometrics, and quantitative assays for food sensory analysis to assess the quality of a given product. We review instrumental advances and couplings, automation in sample preparation, data elaboration, and a selection of applications.

Demonstration of Novel Sampling Techniques for Measurement of Turbine Engine Volatile and Non-Volatile Particulate Matter (PM) Emissions

DTIC Science & Technology

2015-12-30

FINAL REPORT Demonstration of Novel Sampling Techniques for Measurement of Turbine Engine Volatile and Non-Volatile Particulate Matter (PM...Novel Sampling Techniques for Measurement of Turbine Engine Volatile and Non-Volatile Particulate Matter (PM) Emissions 6. AUTHOR(S) E. Corporan, M...report contains color. 14. ABSTRACT This project consists of demonstrating the performance and viability of two devices to condition aircraft turbine

Cohesiveness in Financial News and its Relation to Market Volatility

PubMed Central

Piškorec, Matija; Antulov-Fantulin, Nino; Novak, Petra Kralj; Mozetič, Igor; Grčar, Miha; Vodenska, Irena; Šmuc, Tomislav

2014-01-01

Motivated by recent financial crises, significant research efforts have been put into studying contagion effects and herding behaviour in financial markets. Much less has been said regarding the influence of financial news on financial markets. We propose a novel measure of collective behaviour based on financial news on the Web, the News Cohesiveness Index (NCI), and we demonstrate that the index can be used as a financial market volatility indicator. We evaluate the NCI using financial documents from large Web news sources on a daily basis from October 2011 to July 2013 and analyse the interplay between financial markets and finance-related news. We hypothesise that strong cohesion in financial news reflects movements in the financial markets. Our results indicate that cohesiveness in financial news is highly correlated with and driven by volatility in financial markets. PMID:24849598

Facile template-free synthesis of vertically aligned polypyrrole nanosheets on nickel foams for flexible all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Yang, Xiangwen; Lin, Zhixing; Zheng, Jingxu; Huang, Yingjuan; Chen, Bin; Mai, Yiyong; Feng, Xinliang

2016-04-01

This paper reports a novel and remarkably facile approach towards vertically aligned nanosheets on three-dimensional (3D) Ni foams. Conducting polypyrrole (PPy) sheets were grown on Ni foam through the volatilization of the environmentally friendly solvent from an ethanol-water solution of pyrrole (Py), followed by the polymerization of the coated Py in ammonium persulfate (APS) solution. The PPy-decorated Ni foams and commercial activated carbon (AC) modified Ni foams were employed as the two electrodes for the assembly of flexible all-solid-state asymmetric supercapacitors. The sheet-like structure of PPy and the macroporous feature of the Ni foam, which render large electrode-electrolyte interfaces, resulted in good capacitive performance of the supercapacitors. Moreover, a high energy density of ca. 14 Wh kg-1 and a high power density of 6.2 kW kg-1 were achieved for the all-solid-state asymmetric supercapacitors due to the wide cell voltage window.This paper reports a novel and remarkably facile approach towards vertically aligned nanosheets on three-dimensional (3D) Ni foams. Conducting polypyrrole (PPy) sheets were grown on Ni foam through the volatilization of the environmentally friendly solvent from an ethanol-water solution of pyrrole (Py), followed by the polymerization of the coated Py in ammonium persulfate (APS) solution. The PPy-decorated Ni foams and commercial activated carbon (AC) modified Ni foams were employed as the two electrodes for the assembly of flexible all-solid-state asymmetric supercapacitors. The sheet-like structure of PPy and the macroporous feature of the Ni foam, which render large electrode-electrolyte interfaces, resulted in good capacitive performance of the supercapacitors. Moreover, a high energy density of ca. 14 Wh kg-1 and a high power density of 6.2 kW kg-1 were achieved for the all-solid-state asymmetric supercapacitors due to the wide cell voltage window. Electronic supplementary information (ESI) available: ESI figures. See DOI: 10.1039/c6nr00468g

Volatilization and precipitation of tellurium by aerobic, tellurite-resistant marine microbes.

PubMed

Ollivier, Patrick R L; Bahrou, Andrew S; Marcus, Sarah; Cox, Talisha; Church, Thomas M; Hanson, Thomas E

2008-12-01

Microbial resistance to tellurite, an oxyanion of tellurium, is widespread in the biosphere, but the geochemical significance of this trait is poorly understood. As some tellurite resistance markers appear to mediate the formation of volatile tellurides, the potential contribution of tellurite-resistant microbial strains to trace element volatilization in salt marsh sediments was evaluated. Microbial strains were isolated aerobically on the basis of tellurite resistance and subsequently examined for their capacity to volatilize tellurium in pure cultures. The tellurite-resistant strains recovered were either yeasts related to marine isolates of Rhodotorula spp. or gram-positive bacteria related to marine strains within the family Bacillaceae based on rRNA gene sequence comparisons. Most strains produced volatile tellurides, primarily dimethyltelluride, though there was a wide range of the types and amounts of species produced. For example, the Rhodotorula spp. produced the greatest quantities and highest diversity of volatile tellurium compounds. All strains also produced methylated sulfur compounds, primarily dimethyldisulfide. Intracellular tellurium precipitates were a major product of tellurite metabolism in all strains tested, with nearly complete recovery of the tellurite initially provided to cultures as a precipitate. Different strains appeared to produce different shapes and sizes of tellurium containing nanostructures. These studies suggest that aerobic marine yeast and Bacillus spp. may play a greater role in trace element biogeochemistry than has been previously assumed, though additional work is needed to further define and quantify their specific contributions.

[Study on composition, antibiotic activity and antioxidant activity of volatile oils from uyghur medicine Althaea rosea].

PubMed

Munira, Abudukeremu; Muheta'er, Tu'erhong; Resalat, Yimin; Xia, Na

2015-04-01

Althaea rosea is a type of mallow plant. Its dry flowers are one of common herb in Uyghur medicines and recorded to have several efficacies such as external application for detumescence, moistening lung and arresting cough, sweating and relieving asthma, diminishing swelling and promoting eruption, soothing the nerves and strengthening heart. However, there are only fewer studies on effective components of A. rosea and no literature about its volatile oil and pharmacological activity. In this paper, the volatile oil of A. rosea was obtained by using the chemical distillation and extraction method. The individual chemical components were separated from the volatile oil and identified by the Gas Chromatograph-Mass Spectrometer technique (GC-MS). The antioxidant activity against free radicals was detected by the'ultraviolet and visible spectrophotometer method. The antibiotic activity was detected by the filter paper diffusion method. The experimental results showed nearly 70 compounds in the volatile oil, with complex chemical components. With a low content, most of the compounds were aromatic and aliphatic compounds and their derivatives. A. rosea had a better antibiotic activity for common microorganisms, with a wide antibacterial spectrum. According to the results, the volatile oil of A. rosea will have a good application value in medicine, food and cosmetic industries, which provided a scientific basis for the development of natural A. rosea resources.

Communication: Dimensionality of the ionic conduction pathways in glass and the mixed-alkali effect.

PubMed

Novy, Melissa; Avila-Paredes, Hugo; Kim, Sangtae; Sen, Sabyasachi

2015-12-28

A revised empirical relationship between the power law exponent of ac conductivity dispersion and the dimensionality of the ionic conduction pathway is established on the basis of electrical impedance spectroscopic (EIS) measurements on crystalline ionic conductors. These results imply that the "universal" ac conductivity dispersion observed in glassy solids is associated with ionic transport along fractal pathways. EIS measurements on single-alkali glasses indicate that the dimensionality of this pathway D is ∼2.5, while in mixed-alkali glasses, D is lower and goes through a minimum value of ∼2.2 when the concentrations of the two alkalis become equal. D and σ display similar variation with alkali composition, thus suggesting a topological origin of the mixed-alkali effect.

Simulation of the interannual variations of biogenic emissions of volatile organic compounds in China: Impacts on tropospheric ozone and secondary organic aerosol

NASA Astrophysics Data System (ADS)

Fu, Y.; Liao, H.

2012-12-01

We use the MEGAN (Model of emissions of Gases and Aerosols from Nature) module embedded within the global three-dimensional Goddard Earth Observing System chemical transport model (GEOS-Chem) to simulate the interannual variations in biogenic volatile organic compound (BVOC) emissions and concentrations of ozone and secondary organic aerosols (SOA) in China over years 2001-2006. To have better representation of biogenic emissions, we have updated in the model the land cover and leaf area index in China using Moderate Resolution Imaging Spectroradiometer (MODIS) satellite measurements, and we have developed a new classification of vegetation with 21 plant functional types. Estimated annual BVOC emission in China averaged over 2001-2006 is 18.85 Tg C yr-1, in which emissions of isoprene, monoterpenes, and other reactive volatile organic compounds account for 50.9%, 15.0%, and 34.1%, respectively. The simulated BVOC emissions in China have large interannual variations. The values of regionally averaged absolute percent departure from the mean (APDM) of isoprene emissions are in the range of 21-42% in January and 15-28% in July. The APDM values of monoterpene emissions are 14-32% in January and 10-21% in July, which are generally smaller than those of isoprene emissions. Model results indicate that the interannual variations in isoprene emissions are more dependent on variations in meteorological fields, whereas the interannual variations in monoterpene emissions are more sensitive to changes in vegetation parameters. With fixed anthropogenic emissions, as a result of the variations in both meteorological parameters and vegetation, simulated O3 concentrations show interannual variations of 0.8-5 ppbv (or largest APDM values of 4-15%), and simulated SOA shows APDM values of 5-15% in southwestern China in January as well as 10-25% in southeastern and 20-35% in northeastern China in July. On a regional mean basis, the interannual variations in BVOCs alone can lead to 2-5% differences in simulated O3 and SOA in summer.

Simulation of the interannual variations of biogenic emissions of volatile organic compounds in China: Impacts on tropospheric ozone and secondary organic aerosol

NASA Astrophysics Data System (ADS)

Fu, Yu; Liao, Hong

2012-11-01

We use the MEGAN (Model of emissions of Gases and Aerosols from Nature) module embedded within the global three-dimensional Goddard Earth Observing System chemical transport model (GEOS-Chem) to simulate the interannual variations in biogenic volatile organic compound (BVOC) emissions and concentrations of ozone and secondary organic aerosols (SOA) in China over years 2001-2006. To have better representation of biogenic emissions, we have updated in the model the land cover and leaf area index in China using Moderate Resolution Imaging Spectroradiometer (MODIS) satellite measurements, and we have developed a new classification of vegetation with 21 plant functional types. Estimated annual BVOC emission in China averaged over 2001-2006 is 18.85 Tg C yr-1, in which emissions of isoprene, monoterpenes, and other reactive volatile organic compounds account for 50.9%, 15.0%, and 34.1%, respectively. The simulated BVOC emissions in China have large interannual variations. The values of regionally averaged absolute percent departure from the mean (APDM) of isoprene emissions are in the range of 21-42% in January and 15-28% in July. The APDM values of monoterpene emissions are 14-32% in January and 10-21% in July, which are generally smaller than those of isoprene emissions. Model results indicate that the interannual variations in isoprene emissions are more dependent on variations in meteorological fields, whereas the interannual variations in monoterpene emissions are more sensitive to changes in vegetation parameters. With fixed anthropogenic emissions, as a result of the variations in both meteorological parameters and vegetation, simulated O3 concentrations show interannual variations of 0.8-5 ppbv (or largest APDM values of 4-15%), and simulated SOA shows APDM values of 5-15% in southwestern China in January as well as 10-25% in southeastern and 20-35% in northeastern China in July. On a regional mean basis, the interannual variations in BVOCs alone can lead to 2-5% differences in simulated O3 and SOA in summer.

Authentication of meat products: determination of animal feeding by parallel GC-MS analysis of three adipose tissues.

PubMed

Sivadier, Guilhem; Ratel, Jérémy; Bouvier, Frédéric; Engel, Erwan

2008-11-12

Authentication of farm animal rearing conditions, especially the type of feeding, is a key issue in certification of meat quality and meat products. The purpose of this article was to analyze in parallel the volatile fraction of three adipose tissues excised from 16 lambs in order to authenticate two animal diets: pasture (n = 8) and concentrate (n = 8). On the basis of growth rate and anatomical location, three different lamb adipose tissues were analyzed: perirenal fat (PRF), caudal subcutaneous fat (CSCF), and heart fat (HF). An initial experiment was used to optimize the extraction of volatile compounds from the adipose tissues. Using a lipid liquid phase extraction, heating the ground tissue to 70 degrees C, was shown to be the best sample preparation mode before dynamic headspace-gas chromatography-mass spectrometry (DH-GC-MS) analysis to achieve a good representation of the starting material, while getting a good extraction and reproducibility. Next, the application of an instrumental drifts correction procedure to DH-GC-MS data enabled the identification of 130 volatile compounds that discriminate the two diets in one or several of the three tissues: 104 were found in PRF, 75 in CSCF, and 70 in HF. Forty-eight of these diet tracers, including 2,3-octanedione, toluene, terpenes, alkanes, alkenes, and ketones, had previously been identified as ruminant pasture-diet tracers and can be considered generic of this type of animal feeding. Moreover, 49 of the 130 compounds could identify diets in only one tissue, suggesting that complementary analysis of several tissues is superior for diet identification. Finally, multivariate discriminant analyses confirmed that the discrimination was improved when PRF, CSCF, and HF were considered simultaneously, even if HF contributed minimal information.

Detection of decomposition volatile organic compounds in soil following removal of remains from a surface deposition site.

PubMed

Perrault, Katelynn A; Stefanuto, Pierre-Hugues; Stuart, Barbara H; Rai, Tapan; Focant, Jean-François; Forbes, Shari L

2015-09-01

Cadaver-detection dogs use volatile organic compounds (VOCs) to search for human remains including those deposited on or beneath soil. Soil can act as a sink for VOCs, causing loading of decomposition VOCs in the soil following soft tissue decomposition. The objective of this study was to chemically profile decomposition VOCs from surface decomposition sites after remains were removed from their primary location. Pig carcasses were used as human analogues and were deposited on a soil surface to decompose for 3 months. The remains were then removed from each site and VOCs were collected from the soil for 7 months thereafter and analyzed by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS). Decomposition VOCs diminished within 6 weeks and hydrocarbons were the most persistent compound class. Decomposition VOCs could still be detected in the soil after 7 months using Principal Component Analysis. This study demonstrated that the decomposition VOC profile, while detectable by GC×GC-TOFMS in the soil, was considerably reduced and altered in composition upon removal of remains. Chemical reference data is provided by this study for future investigations of canine alert behavior in scenarios involving scattered or scavenged remains.

Understanding the complex dynamics of stock markets through cellular automata

NASA Astrophysics Data System (ADS)

Qiu, G.; Kandhai, D.; Sloot, P. M. A.

2007-04-01

We present a cellular automaton (CA) model for simulating the complex dynamics of stock markets. Within this model, a stock market is represented by a two-dimensional lattice, of which each vertex stands for a trader. According to typical trading behavior in real stock markets, agents of only two types are adopted: fundamentalists and imitators. Our CA model is based on local interactions, adopting simple rules for representing the behavior of traders and a simple rule for price updating. This model can reproduce, in a simple and robust manner, the main characteristics observed in empirical financial time series. Heavy-tailed return distributions due to large price variations can be generated through the imitating behavior of agents. In contrast to other microscopic simulation (MS) models, our results suggest that it is not necessary to assume a certain network topology in which agents group together, e.g., a random graph or a percolation network. That is, long-range interactions can emerge from local interactions. Volatility clustering, which also leads to heavy tails, seems to be related to the combined effect of a fast and a slow process: the evolution of the influence of news and the evolution of agents’ activity, respectively. In a general sense, these causes of heavy tails and volatility clustering appear to be common among some notable MS models that can confirm the main characteristics of financial markets.

Bound Volatile Precursors in Genotypes in the Pedigree of 'Marion' Blackberry (Rubus Sp.)

USDA-ARS?s Scientific Manuscript database

Glycosidically bound volatiles and precursors in genotypes representing the pedigree for 'Marion' blackberry were investigated over two growing seasons. The volatile precursors were isolated using a C18 solid-phase extraction column. After enzymatic hydrolysis, the released volatiles were analyzed u...

Uncertainty quantification metrics for whole product life cycle cost estimates in aerospace innovation

NASA Astrophysics Data System (ADS)

Schwabe, O.; Shehab, E.; Erkoyuncu, J.

2015-08-01

The lack of defensible methods for quantifying cost estimate uncertainty over the whole product life cycle of aerospace innovations such as propulsion systems or airframes poses a significant challenge to the creation of accurate and defensible cost estimates. Based on the axiomatic definition of uncertainty as the actual prediction error of the cost estimate, this paper provides a comprehensive overview of metrics used for the uncertainty quantification of cost estimates based on a literature review, an evaluation of publicly funded projects such as part of the CORDIS or Horizon 2020 programs, and an analysis of established approaches used by organizations such NASA, the U.S. Department of Defence, the ESA, and various commercial companies. The metrics are categorized based on their foundational character (foundations), their use in practice (state-of-practice), their availability for practice (state-of-art) and those suggested for future exploration (state-of-future). Insights gained were that a variety of uncertainty quantification metrics exist whose suitability depends on the volatility of available relevant information, as defined by technical and cost readiness level, and the number of whole product life cycle phases the estimate is intended to be valid for. Information volatility and number of whole product life cycle phases can hereby be considered as defining multi-dimensional probability fields admitting various uncertainty quantification metric families with identifiable thresholds for transitioning between them. The key research gaps identified were the lacking guidance grounded in theory for the selection of uncertainty quantification metrics and lacking practical alternatives to metrics based on the Central Limit Theorem. An innovative uncertainty quantification framework consisting of; a set-theory based typology, a data library, a classification system, and a corresponding input-output model are put forward to address this research gap as the basis for future work in this field.

Economic policy optimization based on both one stochastic model and the parametric control theory

NASA Astrophysics Data System (ADS)

Ashimov, Abdykappar; Borovskiy, Yuriy; Onalbekov, Mukhit

2016-06-01

A nonlinear dynamic stochastic general equilibrium model with financial frictions is developed to describe two interacting national economies in the environment of the rest of the world. Parameters of nonlinear model are estimated based on its log-linearization by the Bayesian approach. The nonlinear model is verified by retroprognosis, estimation of stability indicators of mappings specified by the model, and estimation the degree of coincidence for results of internal and external shocks' effects on macroeconomic indicators on the basis of the estimated nonlinear model and its log-linearization. On the base of the nonlinear model, the parametric control problems of economic growth and volatility of macroeconomic indicators of Kazakhstan are formulated and solved for two exchange rate regimes (free floating and managed floating exchange rates)

Martian impact crater ejecta morphologies and their potential as indicators of subsurface volatile distribution

NASA Technical Reports Server (NTRS)

Barlow, Nadine G.

1991-01-01

Many martian impact craters ejecta morphologies suggestive of fluidization during ejecta emplacement. Impact into subsurface volatile reserviors (i.e., water, ice, CO2, etc.) is the mechanism favored by many scientists, although acceptance of this mechanism is not unanimous. In recent years, a number of studies were undertaken to better understand possible relationships between ejecta morphology and latitude, longitude, crater diameter, and terrain. These results suggest that subsurface volatiles do influence the formation of specific ejecta morphologies and may provide clues to the vertical and horizontal distribution of volatiles in more localized regions of Mars. The location of these volatile reservoirs will be important to humans exploring and settling Mars in the future. Qualitative descriptions of ejecta morphology and quantitative analyses of ejecta sinuosity and ejecta lobe areal extent from the basis of the studies. Ejecta morphology studies indicate that morphology is correlated with crater diameter and latitude, and, using depth-diameter relationships, these correlations strongly suggest that changes in morphology are related to transition among subsurface layers with varying amounts of volatiles. Ejecta sinuosity studies reveal correlations between degree of sinuosity (lobateness) and crater morphology, diameter, latitude, and terrain. Lobateness, together with variations in areal extent of the lobate ejecta blanket with morphology and latitude, probably depends most directly on the ejecta emplacement process. The physical parameters measured here can be compared with those predicted by existing ejecta emplacement models. Some of these parameters are best reproduced by models requiring incorporation of volatiles within the ejecta. However, inconsistencies between other parameters and the models indicate that more detailed modeling is necessary before the location of volatile reservoirs can be confidently predicted based on ejecta morphology studies alone.

Equilibrium properties and phase diagram of two-dimensional Yukawa systems

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

Hartmann, P.; Donko, Z.; Kutasi, K.

Properties of two-dimensional strongly coupled Yukawa systems are explored through molecular dynamics simulations. An effective coupling coefficient {gamma}{sup *} for the liquid phase is introduced on the basis of the constancy of the first peak amplitude of the pair-correlation functions. Thermodynamic quantities are calculated from the pair-correlation function. The solid-liquid transition of the system is investigated through the analysis of the bond-angular order parameter. The static structure function satisfies consistency relation, attesting to the reliability of the computational method. The response is shown to be governed by the correlational part of the inverse compressibility. An analysis of the velocity autocorrelationmore » demonstrates that this latter also exhibits a universal behavior.« less

Development and Validation of a 3-Dimensional CFB Furnace Model

NASA Astrophysics Data System (ADS)

Vepsäläinen, Arl; Myöhänen, Karl; Hyppäneni, Timo; Leino, Timo; Tourunen, Antti

At Foster Wheeler, a three-dimensional CFB furnace model is essential part of knowledge development of CFB furnace process regarding solid mixing, combustion, emission formation and heat transfer. Results of laboratory and pilot scale phenomenon research are utilized in development of sub-models. Analyses of field-test results in industrial-scale CFB boilers including furnace profile measurements are simultaneously carried out with development of 3-dimensional process modeling, which provides a chain of knowledge that is utilized as feedback for phenomenon research. Knowledge gathered by model validation studies and up-to-date parameter databases are utilized in performance prediction and design development of CFB boiler furnaces. This paper reports recent development steps related to modeling of combustion and formation of char and volatiles of various fuel types in CFB conditions. Also a new model for predicting the formation of nitrogen oxides is presented. Validation of mixing and combustion parameters for solids and gases are based on test balances at several large-scale CFB boilers combusting coal, peat and bio-fuels. Field-tests including lateral and vertical furnace profile measurements and characterization of solid materials provides a window for characterization of fuel specific mixing and combustion behavior in CFB furnace at different loads and operation conditions. Measured horizontal gas profiles are projection of balance between fuel mixing and reactions at lower part of furnace and are used together with both lateral temperature profiles at bed and upper parts of furnace for determination of solid mixing and combustion model parameters. Modeling of char and volatile based formation of NO profiles is followed by analysis of oxidizing and reducing regions formed due lower furnace design and mixing characteristics of fuel and combustion airs effecting to formation ofNO furnace profile by reduction and volatile-nitrogen reactions. This paper presents CFB process analysis focused on combustion and NO profiles in pilot and industrial scale bituminous coal combustion.

On the origin of resistive switching volatility in Ni/TiO{sub 2}/Ni stacks

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

Cortese, Simone, E-mail: simone.cortese@soton.ac.uk; Trapatseli, Maria; Khiat, Ali

2016-08-14

Resistive switching and resistive random access memories have attracted huge interest for next generation nonvolatile memory applications, also thought to be able to overcome flash memories limitations when arranged in crossbar arrays. A cornerstone of their potential success is that the toggling between two distinct resistance states, usually a High Resistive State (HRS) and a Low Resistive State (LRS), is an intrinsic non-volatile phenomenon with the two states being thermodynamically stable. TiO{sub 2} is one of the most common materials known to support non-volatile RS. In this paper, we report a volatile resistive switching in a titanium dioxide thin filmmore » sandwiched by two nickel electrodes. The aim of this work is to understand the underlying physical mechanism that triggers the volatile effect, which is ascribed to the presence of a NiO layer at the bottom interface. The NiO layer alters the equilibrium between electric field driven filament formation and thermal enhanced ion diffusion, resulting in the volatile behaviour. Although the volatility is not ideal for non-volatile memory applications, it shows merit for access devices in crossbar arrays due to its high LRS/HRS ratio, which are also briefly discussed.« less

Tile-Based Fisher Ratio Analysis of Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry (GC × GC – TOFMS) Data using a Null Distribution Approach

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

Parsons, Brendon A.; Marney, Luke C.; Siegler, William C.

Multi-dimensional chromatographic instrumentation produces information-rich, and chemically complex data containing meaningful chemical signals and/or chemical patterns. Two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC × GC – TOFMS) is a prominent instrumental platform that has been applied extensively for discovery-based experimentation, where samples are sufficiently volatile or amenable to derivatization. Use of GC × GC – TOFMS and associated data analysis strategies aim to uncover meaningful chemical signals or chemical patterns. However, for complex samples, meaningful chemical information is often buried in a background of less meaningful chemical signal and noise. In this report, we utilize the tile-based F-ratiomore » software in concert with the standard addition method by spiking non-native chemicals into a diesel fuel matrix at low concentrations. While the previous work studied the concentration range of 100-1000 ppm, the current study focuses on the 0 ppm to 100 ppm analyte spike range. This study demonstrates the sensitivity and selectivity of the tile-based F-ratio software for discovery of true positives in the non-targeted analysis of a chemically complex and analytically challenging sample matrix. By exploring the low concentration spike levels, we gain a better understanding of the limit of detection (LOD) of the tile-based F-ratio software with GC × GC – TOFMS data.« less

Wood-adhesive bonding failure : modeling and simulation

Treesearch

Zhiyong Cai

2010-01-01

The mechanism of wood bonding failure when exposed to wet conditions or wet/dry cycles is not fully understood and the role of the resulting internal stresses exerted upon the wood-adhesive bondline has yet to be quantitatively determined. Unlike previous modeling this study has developed a new two-dimensional internal-stress model on the basis of the mechanics of...

The representation of visual depth perception based on the plenoptic function in the retina and its neural computation in visual cortex V1.

PubMed

Songnian, Zhao; Qi, Zou; Chang, Liu; Xuemin, Liu; Shousi, Sun; Jun, Qiu

2014-04-23

How it is possible to "faithfully" represent a three-dimensional stereoscopic scene using Cartesian coordinates on a plane, and how three-dimensional perceptions differ between an actual scene and an image of the same scene are questions that have not yet been explored in depth. They seem like commonplace phenomena, but in fact, they are important and difficult issues for visual information processing, neural computation, physics, psychology, cognitive psychology, and neuroscience. The results of this study show that the use of plenoptic (or all-optical) functions and their dual plane parameterizations can not only explain the nature of information processing from the retina to the primary visual cortex and, in particular, the characteristics of the visual pathway's optical system and its affine transformation, but they can also clarify the reason why the vanishing point and line exist in a visual image. In addition, they can better explain the reasons why a three-dimensional Cartesian coordinate system can be introduced into the two-dimensional plane to express a real three-dimensional scene. 1. We introduce two different mathematical expressions of the plenoptic functions, Pw and Pv that can describe the objective world. We also analyze the differences between these two functions when describing visual depth perception, that is, the difference between how these two functions obtain the depth information of an external scene.2. The main results include a basic method for introducing a three-dimensional Cartesian coordinate system into a two-dimensional plane to express the depth of a scene, its constraints, and algorithmic implementation. In particular, we include a method to separate the plenoptic function and proceed with the corresponding transformation in the retina and visual cortex.3. We propose that size constancy, the vanishing point, and vanishing line form the basis of visual perception of the outside world, and that the introduction of a three-dimensional Cartesian coordinate system into a two dimensional plane reveals a corresponding mapping between a retinal image and the vanishing point and line.

The representation of visual depth perception based on the plenoptic function in the retina and its neural computation in visual cortex V1

PubMed Central

2014-01-01

Background How it is possible to “faithfully” represent a three-dimensional stereoscopic scene using Cartesian coordinates on a plane, and how three-dimensional perceptions differ between an actual scene and an image of the same scene are questions that have not yet been explored in depth. They seem like commonplace phenomena, but in fact, they are important and difficult issues for visual information processing, neural computation, physics, psychology, cognitive psychology, and neuroscience. Results The results of this study show that the use of plenoptic (or all-optical) functions and their dual plane parameterizations can not only explain the nature of information processing from the retina to the primary visual cortex and, in particular, the characteristics of the visual pathway’s optical system and its affine transformation, but they can also clarify the reason why the vanishing point and line exist in a visual image. In addition, they can better explain the reasons why a three-dimensional Cartesian coordinate system can be introduced into the two-dimensional plane to express a real three-dimensional scene. Conclusions 1. We introduce two different mathematical expressions of the plenoptic functions, P w and P v that can describe the objective world. We also analyze the differences between these two functions when describing visual depth perception, that is, the difference between how these two functions obtain the depth information of an external scene. 2. The main results include a basic method for introducing a three-dimensional Cartesian coordinate system into a two-dimensional plane to express the depth of a scene, its constraints, and algorithmic implementation. In particular, we include a method to separate the plenoptic function and proceed with the corresponding transformation in the retina and visual cortex. 3. We propose that size constancy, the vanishing point, and vanishing line form the basis of visual perception of the outside world, and that the introduction of a three-dimensional Cartesian coordinate system into a two dimensional plane reveals a corresponding mapping between a retinal image and the vanishing point and line. PMID:24755246

Basis adaptation and domain decomposition for steady partial differential equations with random coefficients

DOE PAGES

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

2017-09-04

In this paper, we present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support ourmore » construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Lastly, our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Basis adaptation and domain decomposition for steady-state partial differential equations with random coefficients

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

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

We present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support our construction with numericalmore » experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Semi-continuous mass closure of the major components of fine particulate matter in Riverside, CA

NASA Astrophysics Data System (ADS)

Grover, Brett D.; Eatough, Norman L.; Woolwine, Woods R.; Cannon, Justin P.; Eatough, Delbert J.; Long, Russell W.

The application of newly developed semi-continuous aerosol monitors allows for the measurement of all the major species of PM 2.5 on a 1-h time basis. Temporal resolution of both non-volatile and semi-volatile species is possible. A suite of instruments to measure the major chemical species of PM 2.5 allows for semi-continuous mass closure. A newly developed dual-oven Sunset carbon monitor is used to measure non-volatile organic carbon, semi-volatile organic carbon and elemental carbon. Inorganic species, including sulfate and nitrate, can be measured with an ion chromatograph based sampler. Comparison of the sum of the major chemical species in an urban aerosol with mass measured by an FDMS resulted in excellent agreement. Linear regression analysis resulted in a zero-intercept slope of 0.98±0.01 with an R2=0.86. One-hour temporal resolution of the major species of PM 2.5 may reduce the uncertainty in receptor based source apportionment modeling, will allow for better forecasting of PM 2.5 episodes, and may lead to increased understanding of related health effects.

A Combined Kinetic and Volatility Basis Set Approach to Model Secondary Organic Aerosol from Toluene and Diesel Exhaust/Meat Cooking Mixtures

NASA Astrophysics Data System (ADS)

Parikh, H. M.; Carlton, A. G.; Zhang, H.; Kamens, R.; Vizuete, W.

2011-12-01

Secondary organic aerosol (SOA) is simulated for 6 outdoor smog chamber experiments using a SOA model based on a kinetic chemical mechanism in conjunction with a volatility basis set (VBS) approach. The experiments include toluene, a non-SOA-forming hydrocarbon mixture, diesel exhaust or meat cooking emissions and NOx, and are performed under varying conditions of relative humidity. SOA formation from toluene is modeled using a condensed kinetic aromatic mechanism that includes partitioning of lumped semi-volatile products in particle organic-phase and incorporates particle aqueous-phase chemistry to describe uptake of glyoxal and methylglyoxal. Modeling using the kinetic mechanism alone, along with primary organic aerosol (POA) from diesel exhaust (DE) /meat cooking (MC) fails to simulate the rapid SOA formation at the beginning hours of the experiments. Inclusion of a VBS approach with the kinetic mechanism to characterize the emissions and chemistry of complex mixture of intermediate volatility organic compounds (IVOCs) from DE/MC, substantially improves SOA predictions when compared with observed data. The VBS model includes photochemical aging of IVOCs and evaporation of POA after dilution. The relative contribution of SOA mass from DE/MC is as high as 95% in the morning, but substantially decreases after mid-afternoon. For high humidity experiments, aqueous-phase SOA fraction dominates the total SOA mass at the end of the day (approximately 50%). In summary, the combined kinetic and VBS approach provides a new and improved framework to semi-explicitly model SOA from VOC precursors in conjunction with a VBS approach that can be used on complex emission mixtures comprised with hundreds of individual chemical species.

Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS

EPA Science Inventory

Community Multiscale Air Quality (CMAQ) model simulations utilizing the traditional organic aerosol (OA) treatment (CMAQ-AE6) and a volatility basis set (VBS) treatment for OA (CMAQ-VBS) were evaluated against measurements collected at routine monitoring networks (Chemical Specia...

Chemiresistive Sensor Arrays from Conductive 2D Metal–Organic Frameworks

DOE PAGES

Campbell, Michael G.; Liu, Sophie F.; Swager, Timothy M.; ...

2015-10-11

Applications of porous metal–organic frameworks (MOFs) in electronic devices are rare, owing in large part to a lack of MOFs that display electrical conductivity. Here, we describe the use of conductive two-dimensional (2D) MOFs as a new class of materials for chemiresistive sensing of volatile organic compounds (VOCs). We demonstrate that a family of structurally analogous 2D MOFs can be used to construct a cross-reactive sensor array that allows for clear discrimination between different categories of VOCs. Lastly, experimental data show that multiple sensing mechanisms are operative with high degrees of orthogonality, establishing that the 2D MOFs used here aremore » mechanistically unique and offer advantages relative to other known chemiresistor materials.« less

Heritability of Attractiveness to Mosquitoes

PubMed Central

Fernández-Grandon, G. Mandela; Gezan, Salvador A.; Armour, John A. L.; Pickett, John A.; Logan, James G.

2015-01-01

Female mosquitoes display preferences for certain individuals over others, which is determined by differences in volatile chemicals produced by the human body and detected by mosquitoes. Body odour can be controlled genetically but the existence of a genetic basis for differential attraction to insects has never been formally demonstrated. This study investigated heritability of attractiveness to mosquitoes by evaluating the response of Aedes aegypti (=Stegomyia aegypti) mosquitoes to odours from the hands of identical and non-identical twins in a dual-choice assay. Volatiles from individuals in an identical twin pair showed a high correlation in attractiveness to mosquitoes, while non-identical twin pairs showed a significantly lower correlation. Overall, there was a strong narrow-sense heritability of 0.62 (SE 0.124) for relative attraction and 0.67 (0.354) for flight activity based on the average of ten measurements. The results demonstrate an underlying genetic component detectable by mosquitoes through olfaction. Understanding the genetic basis for attractiveness could create a more informed approach to repellent development. PMID:25901606

Generalized teleportation by quantum walks

NASA Astrophysics Data System (ADS)

Wang, Yu; Shang, Yun; Xue, Peng

2017-09-01

We develop a generalized teleportation scheme based on quantum walks with two coins. For an unknown qubit state, we use two-step quantum walks on the line and quantum walks on the cycle with four vertices for teleportation. For any d-dimensional states, quantum walks on complete graphs and quantum walks on d-regular graphs can be used for implementing teleportation. Compared with existing d-dimensional states teleportation, prior entangled state is not required and the necessary maximal entanglement resource is generated by the first step of quantum walk. Moreover, two projective measurements with d elements are needed by quantum walks on the complete graph, rather than one joint measurement with d^2 basis states. Quantum walks have many applications in quantum computation and quantum simulations. This is the first scheme of realizing communicating protocol with quantum walks, thus opening wider applications.

Modeling and control of flexible structures

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Mingori, D. L.

1988-01-01

This monograph presents integrated modeling and controller design methods for flexible structures. The controllers, or compensators, developed are optimal in the linear-quadratic-Gaussian sense. The performance objectives, sensor and actuator locations and external disturbances influence both the construction of the model and the design of the finite dimensional compensator. The modeling and controller design procedures are carried out in parallel to ensure compatibility of these two aspects of the design problem. Model reduction techniques are introduced to keep both the model order and the controller order as small as possible. A linear distributed, or infinite dimensional, model is the theoretical basis for most of the text, but finite dimensional models arising from both lumped-mass and finite element approximations also play an important role. A central purpose of the approach here is to approximate an optimal infinite dimensional controller with an implementable finite dimensional compensator. Both convergence theory and numerical approximation methods are given. Simple examples are used to illustrate the theory.

Proteomic and metabolomic analyses provide insight into production of volatile and non-volatile flavor components in mandarin hybrid fruit.

PubMed

Yu, Qibin; Plotto, Anne; Baldwin, Elizabeth A; Bai, Jinhe; Huang, Ming; Yu, Yuan; Dhaliwal, Harvinder S; Gmitter, Frederick G

2015-03-06

Although many of the volatile constituents of flavor and aroma in citrus have been identified, the knowledge of molecular mechanisms and regulation of volatile production are very limited. Our aim was to understand mechanisms of flavor volatile production and regulation in mandarin fruit. Fruits of two mandarin hybrids, Temple and Murcott with contrasting volatile and non- volatile profiles, were collected at three developmental stages. A combination of methods, including the isobaric tags for relative and absolute quantification (iTRAQ), quantitative real-time polymerase chain reaction, gas chromatography, and high-performance liquid chromatography, was used to identify proteins, measure gene expression levels, volatiles, sugars, organic acids and carotenoids. Two thirds of differentially expressed proteins were identified in the pathways of glycolysis, citric acid cycle, amino acid, sugar and starch metabolism. An enzyme encoding valencene synthase gene (Cstps1) was more abundant in Temple than in Murcott. Valencene accounted for 9.4% of total volatile content in Temple, whereas no valencene was detected in Murcott fruit. Murcott expression of Cstps1 is severely reduced. We showed that the diversion of valencene and other sesquiterpenes into the terpenoid pathway together with high production of apocarotenoid volatiles might have resulted in the lower concentration of carotenoids in Temple fruit.

Volatile properties of particles emitted by compressed natural gas and diesel buses during steady-state and transient driving modes.

PubMed

Jayaratne, E R; Meyer, N K; Ristovski, Z D; Morawska, L

2012-01-03

Volatile properties of particle emissions from four compressed natural gas (CNG) and four diesel buses were investigated under steady-state and transient driving modes on a chassis dynamometer. The exhaust was diluted utilizing a full-flow continuous volume sampling system and passed through a thermodenuder at controlled temperature. Particle number concentration and size distribution were measured with a condensation particle counter and a scanning mobility particle sizer, respectively. We show that while almost all the particles emitted by the CNG buses were in the nanoparticle size range, at least 85% and 98% were removed at 100 and 250 °C, respectively. Closer analysis of the volatility of particles emitted during transient cycles showed that volatilization began at around 40 °C, with the majority occurring by 80 °C. Particles produced during hard acceleration from rest exhibited lower volatility than those produced during other times of the cycle. On the basis of our results and the observation of ash deposits on the walls of the tailpipes, we suggest that these nonvolatile particles were composed mostly of ash from lubricating oil. Heating the diesel bus emissions to 100 °C removed ultrafine particle numbers by 69-82% when a nucleation mode was present and just 18% when it was not.

Modeling study of secondary organic aerosol in winter in China using NAQPMS

NASA Astrophysics Data System (ADS)

Yang, W.; Li, J.

2017-12-01

The concentration of organic aerosol (OA) in the central and eastern China is much higher than that in Europe and America. Compared with the observation, the current numerical modeling studies largely underestimated the concentration of OA, especially the secondary component. Based on the volatility basis set framework, a secondary organic aerosol (SOA) module was developed, which considering the multi-generation oxidation of volatile organic compounds (VOCs), semi-volatile POA and intermediate volatility organic compounds (IVOCs). The newly developed SOA module was coupled into the NAQPMS, and the performance of the simulation was validated by the observation with high temporal resolution. In wintertime, the OA concentration in the central and eastern China was maintained above 15-20 μg·m-3, and SOA accounted for 50-65% of OA concentration. The OA concentration even reached 40 μg·m-3 in the provinces emitting most pollutants (such as Hunan, Hubei, Henan, Anhui, Jiangsu, Shandong and Hubei province). IVOCs were important precursors of SOA in China, and could reduce the great discrepancy between simulation and observation. In wintertime, the contribution from IVOCs accounted for 60-80% of SOA formation. The aging of semi-volatile POA had less impact on the SOA formation, which maintained only 2-8% over central and eastern China.

Rust and schreibersite in Apollo 16 highland rocks - Manifestations of volatile-element mobility

NASA Technical Reports Server (NTRS)

Hunter, R. H.; Taylor, L. A.

1982-01-01

Rust is a manifestation of halogen and volatile-metal mobility in the lunar environment. Schreibersite is stable as the primary phosphorus-bearing phase in the highland rocks, a consequence of the inherently low oxygen fugacity within impact-generated melts. Apatite and whitlockite are subordinate in these rocks. The partitioning of P into phosphide in impact-generated melts, and the failure of phosphate to crystallize, effects a decoupling of the halogens and phosphorus. Of the Apollo 16 rocks, 63% contain rust, 70% contain schreibersite, and 52% contain both phases, thereby establishing the pervasiveness of volatile-elements throughout the highland rocks. The major portion of these volatile-bearing phases occur in impact melt-rocks or in breccia matrices. Rhabdites of schreibersite in some of the FeNi grains indicate that there is a meteoritic contribution to the phosphorus in these rocks. Cl/P2O5 ratios in lunar highland rocks are a function of secondary effects, with any apparent Cl-P correlations being coincidential. The present observations preclude the validity of models based on such elemental ratios in these rocks. The presence of rust in the clast laden matrices of pristine rocks indicates fugitive element localization. Pristine clasts may have been contaminated. The basis for a pristine volatile chemistry is questioned.

Function of bacterial community dynamics in the formation of cadaveric semiochemicals during in situ carcass decomposition.

PubMed

Pascual, Javier; von Hoermann, Christian; Rottler-Hoermann, Ann-Marie; Nevo, Omer; Geppert, Alicia; Sikorski, Johannes; Huber, Katharina J; Steiger, Sandra; Ayasse, Manfred; Overmann, Jörg

2017-08-01

The decomposition of dead mammalian tissue involves a complex temporal succession of epinecrotic bacteria. Microbial activity may release different cadaveric volatile organic compounds which in turn attract other key players of carcass decomposition such as scavenger insects. To elucidate the dynamics and potential functions of epinecrotic bacteria on carcasses, we monitored bacterial communities developing on still-born piglets incubated in different forest ecosystems by combining high-throughput Illumina 16S rRNA sequencing with gas chromatography-mass spectrometry of volatiles. Our results show that the community structure of epinecrotic bacteria and the types of cadaveric volatile compounds released over the time course of decomposition are driven by deterministic rather than stochastic processes. Individual cadaveric volatile organic compounds were correlated with specific taxa during the first stages of decomposition which are dominated by bacteria. Through best-fitting multiple linear regression models, the synthesis of acetic acid, indole and phenol could be linked to the activity of Enterobacteriaceae, Tissierellaceae and Xanthomonadaceae, respectively. These conclusions are also commensurate with the metabolism described for the dominant taxa identified for these families. The predictable nature of in situ synthesis of cadaveric volatile organic compounds by epinecrotic bacteria provides a new basis for future chemical ecology and forensic studies. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

A comparison of the radiation response of the epidermis in two strains of pig

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

van den Aardweg, G.J.; Arnold, M.; Hopewell, J.W.

1990-12-01

The response of the epidermis was compared in two strains of pig, the English Large White and the Goettinger Miniature, after irradiation with 90Sr beta rays. The effects of two types of anesthesia were also tested in pigs of each strain, a volatile gas mixture of approximately 70% oxygen, approximately 30% nitrous oxide, and 2% halothane, and an intravenously administered narcotic azaperon/etimodat with the animals breathing air. Strain- and anesthetic-related changes were compared on the basis of dose-effect curves for the incidence of moist desquamation from which ED50 values (+/- SE) were determined, i.e., the dose required to produce thismore » effect in 50% of the fields irradiated. For English Large White pigs anesthetized with the volatile gas mixture, an ED50 of 27.32 +/- 0.52 Gy was obtained for moist desquamation. Irradiation with the azaperon/etomidat anesthesia in this strain of pig produced a significantly higher ED50 of 33.36 +/- 0.76 Gy (P less than 0.001). This appeared to be related to the fact that the animals were breathing air, i.e., a lower oxygen concentration (approximately 21%), at the time of irradiation. For the Goettinger Miniature pig the ED50 values for moist desquamation were 38.93 +/- 3.12 Gy and 43.36 +/- 1.34 Gy while using the gaseous anesthetic mixture and the azaperon/etomidat anesthesia with the animals breathing air, respectively. These ED50 values are 10-11 Gy higher than those obtained for the English Large White pig under identical conditions of anesthesia, which resulted in a strain difference ratio of approximately 1.35. Radiation under the volatile gas mixture anesthesia resulted in a uniform irradiation response over the skin of the flank in both strains of pig. Radiation under azaperon/etomidat anesthesia resulted in a nonuniform skin response over the flank.« less

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2018-06-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2017-12-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Fate of Volatile Organic Compounds in Constructed Wastewater Treatment Wetlands

USGS Publications Warehouse

Keefe, S.H.; Barber, L.B.; Runkel, R.L.; Ryan, J.N.

2004-01-01

The fate of volatile organic compounds was evaluated in a wastewater-dependent constructed wetland near Phoenix, AZ, using field measurements and solute transport modeling. Numerically based volatilization rates were determined using inverse modeling techniques and hydraulic parameters established by sodium bromide tracer experiments. Theoretical volatilization rates were calculated from the two-film method incorporating physicochemical properties and environmental conditions. Additional analyses were conducted using graphically determined volatilization rates based on field measurements. Transport (with first-order removal) simulations were performed using a range of volatilization rates and were evaluated with respect to field concentrations. The inverse and two-film reactive transport simulations demonstrated excellent agreement with measured concentrations for 1,4-dichlorobenzene, tetrachloroethene, dichloromethane, and trichloromethane and fair agreement for dibromochloromethane, bromo-dichloromethane, and toluene. Wetland removal efficiencies from inlet to outlet ranged from 63% to 87% for target compounds.

[Comparison of antioxidant activity between two species of chamomiles produced in Xinjiang by TLC-bioautography].

PubMed

Han, Song-Lin; Li, Xin-Xia; Mian, Qiang-Hui; Lan, Wei; Liu, Yan

2013-01-01

To compare the antioxidant active components from two species of chamomile-matricaria and Roman chamomile produced in Xinjiang. The TLC-bioautography was used, with 1,1-Diphenyl-2-picrylhydrazyl (DPPH) radical as the experimental model. The peak areas of various antioxidant components were obtained by TLC-scanning for analyzing antioxidant active components contained in volatile oil extracts and flavone extracts from the two species of chamomiles. The total peak area was taken as the indicator for comparing the antioxidant capacities of the two types of extracts, and comparing them with the total antioxidant activity of flavone extracts of the two species of chamomiles. According to the result of TLC-bioautography in volatile oil extracts from the two species of chamomiles, volatile oil extracts from chamomile showed four white antioxidant spots, including en-yne-dicycloether, and volatile oil extracts from Roman chamomile showed only one white antioxidant spot. The TLC-scanning result showed that the peak area of antioxidant spots of volatile oil extracts from chamomile was significantly larger than that of volatile oil extracts from Roman chamomile. According to the test on the antioxidant activity of the two species of chamomiles with ultraviolet-visible spectrophotometry, the concentration of chamomile after scavenging 50% of DPPH radicals was 0.66 g x L(-1), whereas the figure for Roman chamomile was 0.33 g x L(-1). According to the result of TLC-bioautography in flavone extracts from the two species of chamomiles, flavone extracts from chamomile showed seven yellowish antioxidant spots, including apigenin and apigenin-7-glucoside, and flavone extracts of Roman chamomile showed eight yellowish antioxidant spots, including apigenin and apigenin-7-glucoside. The TLC-scanning results showed that the peak area of antioxidant spots of flavone extracts from Roman chamomile was significantly larger than that of flavone extracts from chamomile. Volatile oil extracts from the two species of chamomiles have significant difference in the antioxidant activity in TLC-bioautography. Specifically, the antioxidant activity of volatile oil extracts from chamomile is stronger than volatile oil extracts from Roman chamomile; the known antioxidant active components in volatile oil extracts from chamomile is en-yne-dicycloether, while all of the other three antioxidant active components as well as antioxidant active components in volatile oil extracts from Roman chamomile are unknown components and remain to be further determined. Considering the significant difference in the number of antioxidant active spots in volatile oil extracts from the two species of chamomiles, the result can be applied to distinguish the two species of chamomiles. The antioxidant activity determination result for flavone extracts from two species of chamomiles was consistent with the result of TLC-bioautography, showing that flavone extracts from chamomile and Roman chamomile are more antioxidant active, while that of Roman chamomile is stronger than chamomile. Flavone extracts from both of the two species of chamomiles contain apigenin and pigenin-7-glucoside, which are known, while all of the other five antioxidant active components contained in flavone extracts from chamomile and the other six antioxidant active components contained in flavone extracts from Roman chamomile are unknown and remain to be further identified. The method lays a foundation for further identification of antioxidant active components contained in chamomile.

Uniform electron gases. III. Low-density gases on three-dimensional spheres

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

Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGFmore » centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids — the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) — and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.« less

An adaptive ANOVA-based PCKF for high-dimensional nonlinear inverse modeling

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

Li, Weixuan, E-mail: weixuan.li@usc.edu; Lin, Guang, E-mail: guang.lin@pnnl.gov; Zhang, Dongxiao, E-mail: dxz@pku.edu.cn

2014-02-01

The probabilistic collocation-based Kalman filter (PCKF) is a recently developed approach for solving inverse problems. It resembles the ensemble Kalman filter (EnKF) in every aspect—except that it represents and propagates model uncertainty by polynomial chaos expansion (PCE) instead of an ensemble of model realizations. Previous studies have shown PCKF is a more efficient alternative to EnKF for many data assimilation problems. However, the accuracy and efficiency of PCKF depends on an appropriate truncation of the PCE series. Having more polynomial chaos basis functions in the expansion helps to capture uncertainty more accurately but increases computational cost. Selection of basis functionsmore » is particularly important for high-dimensional stochastic problems because the number of polynomial chaos basis functions required to represent model uncertainty grows dramatically as the number of input parameters (random dimensions) increases. In classic PCKF algorithms, the PCE basis functions are pre-set based on users' experience. Also, for sequential data assimilation problems, the basis functions kept in PCE expression remain unchanged in different Kalman filter loops, which could limit the accuracy and computational efficiency of classic PCKF algorithms. To address this issue, we present a new algorithm that adaptively selects PCE basis functions for different problems and automatically adjusts the number of basis functions in different Kalman filter loops. The algorithm is based on adaptive functional ANOVA (analysis of variance) decomposition, which approximates a high-dimensional function with the summation of a set of low-dimensional functions. Thus, instead of expanding the original model into PCE, we implement the PCE expansion on these low-dimensional functions, which is much less costly. We also propose a new adaptive criterion for ANOVA that is more suited for solving inverse problems. The new algorithm was tested with different examples and demonstrated great effectiveness in comparison with non-adaptive PCKF and EnKF algorithms.« less

Limited effect of anthropogenic nitrogen oxides on Secondary Organic Aerosol formation

NASA Astrophysics Data System (ADS)

Zheng, Y.; Unger, N.; Hodzic, A.; Emmons, L.; Knote, C.; Tilmes, S.; Lamarque, J.-F.; Yu, P.

2015-08-01

Globally, secondary organic aerosol (SOA) is mostly formed from emissions of biogenic volatile organic compounds (VOCs) by vegetation, but can be modified by human activities as demonstrated in recent research. Specifically, nitrogen oxides (NOx = NO + NO2) have been shown to play a critical role in the chemical formation of low volatility compounds. We have updated the SOA scheme in the global NCAR Community Atmospheric Model version 4 with chemistry (CAM4-chem) by implementing a 4-product Volatility Basis Set (VBS) scheme, including NOx-dependent SOA yields and aging parameterizations. The predicted organic aerosol amounts capture both the magnitude and distribution of US surface annual mean measurements from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network by 50 %, and the simulated vertical profiles are within a factor of two compared to Aerosol Mass Spectrometer (AMS) measurements from 13 aircraft-based field campaigns across different region and seasons. We then perform sensitivity experiments to examine how the SOA loading responds to a 50 % reduction in anthropogenic nitric oxide (NO) emissions in different regions. We find limited SOA reductions of 0.9 to 5.6, 6.4 to 12.0 and 0.9 to 2.8 % for global, the southeast US and the Amazon NOx perturbations, respectively. The fact that SOA formation is almost unaffected by changes in NOx can be largely attributed to buffering in chemical pathways (low- and high-NOx pathways, O3 versus NO3-initiated oxidation) and to offsetting tendencies in the biogenic versus anthropogenic SOA responses.

Nanoparticle growth by particle-phase chemistry

NASA Astrophysics Data System (ADS)

Apsokardu, Michael J.; Johnston, Murray V.

2018-02-01

The ability of particle-phase chemistry to alter the molecular composition and enhance the growth rate of nanoparticles in the 2-100 nm diameter range is investigated through the use of a kinetic growth model. The molecular components included are sulfuric acid, ammonia, water, a non-volatile organic compound, and a semi-volatile organic compound. Molecular composition and growth rate are compared for particles that grow by partitioning alone vs. those that grow by a combination of partitioning and an accretion reaction in the particle phase between two organic molecules. Particle-phase chemistry causes a change in molecular composition that is particle diameter dependent, and when the reaction involves semi-volatile molecules, the particles grow faster than by partitioning alone. These effects are most pronounced for particles larger than about 20 nm in diameter. The modeling results provide a fundamental basis for understanding recent experimental measurements of the molecular composition of secondary organic aerosol showing that accretion reaction product formation increases linearly with increasing aerosol volume-to-surface-area. They also allow initial estimates of the reaction rate constants for these systems. For secondary aerosol produced by either OH oxidation of the cyclic dimethylsiloxane (D5) or ozonolysis of β-pinene, oligomerization rate constants on the order of 10-3 to 10-1 M-1 s-1 are needed to explain the experimental results. These values are consistent with previously measured rate constants for reactions of hydroperoxides and/or peroxyacids in the condensed phase.

POD/MAC-Based Modal Basis Selection for a Reduced Order Nonlinear Response Analysis

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Przekop, Adam

2007-01-01

A feasibility study was conducted to explore the applicability of a POD/MAC basis selection technique to a nonlinear structural response analysis. For the case studied the application of the POD/MAC technique resulted in a substantial improvement of the reduced order simulation when compared to a classic approach utilizing only low frequency modes present in the excitation bandwidth. Further studies are aimed to expand application of the presented technique to more complex structures including non-planar and two-dimensional configurations. For non-planar structures the separation of different displacement components may not be necessary or desirable.

Children's understanding of facial expression of emotion: III. Adults' categorical and dimensional responses to children's drawings.

PubMed

Moland, M; Whissell, C M

1993-08-01

49 adult subjects responded to 37 children's drawings of six emotions (happy, sad, angry, afraid, surprised, and disgusted) by naming the emotion depicted and by identifying the pleasantness and arousal status of each drawing. Various analyses indicated that assignment to categories could be predicted on the basis of ratings of pleasantness and arousal (the two key dimensions of a bipolar affect space). Data support the contention that emotional responses should not be assessed solely on the basis of literal accuracy but should rather be described in terms of their location in affect space.

Leaf Volatile Compounds and Associated Gene Expression during Short-Term Nitrogen Deficient Treatments in Cucumis Seedlings

PubMed Central

Deng, Jie; Yu, Hong-Jun; Li, Yun-Yun; Zhang, Xiao-Meng; Liu, Peng; Li, Qiang; Jiang, Wei-Jie

2016-01-01

Nitrogen (N) is an important macronutrient for plant growth and development, but the regulatory mechanism of volatile compounds in response to N deficiency is not well understood, especially in cucumber, which consumes excessive N during growth. In this study, the major volatile compounds from cucumber leaves subjected to N deficiency were analyzed by GC-MS. A total of 24 volatile components were identified including 15 aldehydes, two ketones, two alkenes, and five other volatile compounds in 9930 leaves. Principal component analysis using volatile compounds from cucumber leaves provided good separation between N-sufficient and N-deficient treatments. The main volatiles in cucumber leaves were found to be C6 and C9 aldehydes, especially (E)-2-hexanal and (E,Z)-2,6-nonadienal. (E)-2-hexanal belonged to the C6 aldehyde and was the most abundant compound, whereas (E,Z)-2,6-nonadienal was the chief component of C9 aldehydes. During N-deficient treatment, short-chain volatile content was significantly improved at 5 day, other volatiles displayed significant reduction or no significantly changes in all sampling points. Improvement of short-chain volatiles was confirmed in the six other inbred lines at 5 day after N-deficient treatments. The expression analysis of 12 cucumber LOX genes and two HPL genes revealed that CsLOX19, CsLOX20, and CsLOX22 had common up-regulated expression patterns in response to N-deficient stress in most inbred lines; meanwhile, most sample points of CsHPL1 also had significant up-regulated expression patterns. This research focused on the relationship between volatiles in cucumber and different nitrogen environments to provide valuable insight into the effect of cultivation and management of the quality of cucumber and contributes to further research on volatile metabolism in cucumber. PMID:27827841

Generalizing DTW to the multi-dimensional case requires an adaptive approach

PubMed Central

Hu, Bing; Jin, Hongxia; Wang, Jun; Keogh, Eamonn

2017-01-01

In recent years Dynamic Time Warping (DTW) has emerged as the distance measure of choice for virtually all time series data mining applications. For example, virtually all applications that process data from wearable devices use DTW as a core sub-routine. This is the result of significant progress in improving DTW’s efficiency, together with multiple empirical studies showing that DTW-based classifiers at least equal (and generally surpass) the accuracy of all their rivals across dozens of datasets. Thus far, most of the research has considered only the one-dimensional case, with practitioners generalizing to the multi-dimensional case in one of two ways, dependent or independent warping. In general, it appears the community believes either that the two ways are equivalent, or that the choice is irrelevant. In this work, we show that this is not the case. The two most commonly used multi-dimensional DTW methods can produce different classifications, and neither one dominates over the other. This seems to suggest that one should learn the best method for a particular application. However, we will show that this is not necessary; a simple, principled rule can be used on a case-by-case basis to predict which of the two methods we should trust at the time of classification. Our method allows us to ensure that classification results are at least as accurate as the better of the two rival methods, and, in many cases, our method is significantly more accurate. We demonstrate our ideas with the most extensive set of multi-dimensional time series classification experiments ever attempted. PMID:29104448

Solar Wind Access to Lunar Polar Craters: Feedback Between Surface Charging and Plasma Expansion

NASA Technical Reports Server (NTRS)

Zimmerman, M. I.; Farrell, W. M.; Stubbs, T. J.; Halekas, J. S.; Jackson, T. L.

2011-01-01

Determining the plasma environment within permanently shadowed lunar craters is critical to understanding local processes such as surface charging, electrostatic dust transport, volatile sequestration, and space weathering. In order to investigate the nature of this plasma environment, the first two-dimensional kinetic simulations of solar wind expansion into a lunar crater with a self-consistent plasma-surface interaction have been undertaken. The present results reveal how the plasma expansion into a crater couples with the electrically-charged lunar surface to produce a quasi-steady wake structure. In particular, there is a negative feedback between surface charging and ambipolar wake potential that allows an equilibrium to be achieved, with secondary electron emission strongly moderating the process. A range of secondary electron yields is explored, and two distinct limits are highlighted in which either surface charging or ambipoiar expansion is responsible for determining the overall wake structure.

Band-gap tuning and optical response of two-dimensional SixC1 -x : A first-principles real-space study of disordered two-dimensional materials

NASA Astrophysics Data System (ADS)

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; Datta, Sujoy; Johnson, Duane D.; Mookerjee, Abhijit

2017-08-01

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique [Mookerjee, J. Phys. C 6, 1340 (1973), 10.1088/0022-3719/6/8/003] formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen-Baerends corrected exchange potential [Singh, Harbola, Hemanadhan, Mookerjee, and Johnson, Phys. Rev. B 93, 085204 (2016), 10.1103/PhysRevB.93.085204]. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene SixC1 -x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussed in the light of the available experimental and other theoretical data. Our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.

Intersection of three-dimensional geometric surfaces

NASA Technical Reports Server (NTRS)

Crisp, V. K.; Rehder, J. J.; Schwing, J. L.

1985-01-01

Calculating the line of intersection between two three-dimensional objects and using the information to generate a third object is a key element in a geometry development system. Techniques are presented for the generation of three-dimensional objects, the calculation of a line of intersection between two objects, and the construction of a resultant third object. The objects are closed surfaces consisting of adjacent bicubic parametric patches using Bezier basis functions. The intersection determination involves subdividing the patches that make up the objects until they are approximately planar and then calculating the intersection between planes. The resulting straight-line segments are connected to form the curve of intersection. The polygons in the neighborhood of the intersection are reconstructed and put back into the Bezier representation. A third object can be generated using various combinations of the original two. Several examples are presented. Special cases and problems were encountered, and the method for handling them is discussed. The special cases and problems included intersection of patch edges, gaps between adjacent patches because of unequal subdivision, holes, or islands within patches, and computer round-off error.

Assessing the Future Vehicle Fleet Electrification: The Impacts on Regional and Urban Air Quality.

PubMed

Ke, Wenwei; Zhang, Shaojun; Wu, Ye; Zhao, Bin; Wang, Shuxiao; Hao, Jiming

2017-01-17

There have been significant advancements in electric vehicles (EVs) in recent years. However, the different changing patterns in emissions at upstream and on-road stages and complex atmospheric chemistry of pollutants lead to uncertainty in the air quality benefits from fleet electrification. This study considers the Yangtze River Delta (YRD) region in China to investigate whether EVs can improve future air quality. The Community Multiscale Air Quality model enhanced by the two-dimensional volatility basis set module is applied to simulate the temporally, spatially, and chemically resolved changes in PM 2.5 concentrations and the changes of other pollutants from fleet electrification. A probable scenario (Scenario EV1) with 20% of private light-duty passenger vehicles and 80% of commercial passenger vehicles (e.g., taxis and buses) electrified can reduce average PM 2.5 concentrations by 0.4 to 1.1 μg m -3 during four representative months for all urban areas of YRD in 2030. The seasonal distinctions of the air quality impacts with respect to concentration reductions in key aerosol components are also identified. For example, the PM 2.5 reduction in January is mainly attributed to the nitrate reduction, whereas the secondary organic aerosol reduction is another essential contributor in August. EVs can also effectively assist in mitigating NO 2 concentrations, which would gain greater reductions for traffic-dense urban areas (e.g., Shanghai). This paper reveals that the fleet electrification in the YRD region could generally play a positive role in improving regional and urban air quality.

40 CFR 60.704 - Test methods and procedures.

Code of Federal Regulations, 2014 CFR

2014-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Volatile Organic Compound Emissions From Synthetic Organic Chemical Manufacturing Industry (SOCMI) Reactor Processes § 60... basis of compound j in ppm, as measured for organics by Method 18 and measured for hydrogen and carbon...

REPLACEMENT OF HAZARDOUS MATERIAL IN WIDE WEB FLEXOGRAPHIC PRINTING PROCESS

EPA Science Inventory

This study examined on a technical and economic basis, the effect of substituting water-based inks in a flexographic printing process. o reduce volatile organic compound (VOC) emissions by switching from the use of solvent-based inks to water based inks, several equipment modific...

REPLACEMENT OF HAZARDOUS MATERIAL IN WIDE WEB FLEXOGRAPHIC PRINTING PROCESS

EPA Science Inventory

This study examined on a technical and economic basis, the effect of substituting water-based inks in a flexographic printing process. To reduce volatile organic compound (VOC) emissions by switching from the use of solvent-based inks to water based inks, several equipment modifi...

A nonlinear HP-type complementary resistive switch

NASA Astrophysics Data System (ADS)

Radtke, Paul K.; Schimansky-Geier, Lutz

2016-05-01

Resistive Switching (RS) is the change in resistance of a dielectric under the influence of an external current or electric field. This change is non-volatile, and the basis of both the memristor and resistive random access memory. In the latter, high integration densities favor the anti-serial combination of two RS-elements to a single cell, termed the complementary resistive switch (CRS). Motivated by the irregular shape of the filament protruding into the device, we suggest a nonlinearity in the resistance-interpolation function, characterized by a single parameter p. Thereby the original HP-memristor is expanded upon. We numerically simulate and analytically solve this model. Further, the nonlinearity allows for its application to the CRS.

Al-rich Chondrules: Petrologic Basis for Their Diversity, and Relation to Type C CAIs

NASA Technical Reports Server (NTRS)

MacPherson, G. J.; Huss, G. R.

2003-01-01

Al-rich chondrules share mineralogical and chemical properties with, and are intermediate in a volatility sense between, CAIs and ferromagnesian chondrules. In some way they must be petrogenetic links between the two. A recent upsurge of interest in Al-rich chondrules is due to their constituent plagioclase feldspar and Al-rich glass being amenable to successful ion microprobe searches for radiogenic Mg-26, the decay product of Al-26 (t(sub 1/2) = 720,000 y). This has allowed estimates to be made of the time duration between CAI formation and the onset of Al-rich (and possibly, by extension, ferromagnesian) chondrule formation, on the order of 1.5-2.5 million years.

Regulatory off-gas analysis from the evaporation of Hanford simulated waste spiked with organic compounds.

PubMed

Saito, Hiroshi H; Calloway, T Bond; Ferrara, Daro M; Choi, Alexander S; White, Thomas L; Gibson, Luther V; Burdette, Mark A

2004-10-01

After strontium/transuranics removal by precipitation followed by cesium/technetium removal by ion exchange, the remaining low-activity waste in the Hanford River Protection Project Waste Treatment Plant is to be concentrated by evaporation before being mixed with glass formers and vitrified. To provide a technical basis to permit the waste treatment facility, a relatively organic-rich Hanford Tank 241-AN-107 waste simulant was spiked with 14 target volatile, semi-volatile, and pesticide compounds and evaporated under vacuum in a bench-scale natural circulation evaporator fitted with an industrial stack off-gas sampler at the Savannah River National Laboratory. An evaporator material balance for the target organics was calculated by combining liquid stream mass and analytical data with off-gas emissions estimates obtained using U.S. Environmental Protection Agency (EPA) SW-846 Methods. Volatile and light semi-volatile organic compounds (<220 degrees C BP, >1 mm Hg vapor pressure) in the waste simulant were found to largely exit through the condenser vent, while heavier semi-volatiles and pesticides generally remain in the evaporator concentrate. An OLI Environmental Simulation Program (licensed by OLI Systems, Inc.) evaporator model successfully predicted operating conditions and the experimental distribution of the fed target organics exiting in the concentrate, condensate, and off-gas streams, with the exception of a few semi-volatile and pesticide compounds. Comparison with Henry's Law predictions suggests the OLI Environmental Simulation Program model is constrained by available literature data.

Pattern recognition and genetic algorithms for discrimination of orange juices and reduction of significant components from headspace solid-phase microextraction.

PubMed

Rinaldi, Maurizio; Gindro, Roberto; Barbeni, Massimo; Allegrone, Gianna

2009-01-01

Orange (Citrus sinensis L.) juice comprises a complex mixture of volatile components that are difficult to identify and quantify. Classification and discrimination of the varieties on the basis of the volatile composition could help to guarantee the quality of a juice and to detect possible adulteration of the product. To provide information on the amounts of volatile constituents in fresh-squeezed juices from four orange cultivars and to establish suitable discrimination rules to differentiate orange juices using new chemometric approaches. Fresh juices of four orange cultivars were analysed by headspace solid-phase microextraction (HS-SPME) coupled with GC-MS. Principal component analysis, linear discriminant analysis and heuristic methods, such as neural networks, allowed clustering of the data from HS-SPME analysis while genetic algorithms addressed the problem of data reduction. To check the quality of the results the chemometric techniques were also evaluated on a sample. Thirty volatile compounds were identified by HS-SPME and GC-MS analyses and their relative amounts calculated. Differences in composition of orange juice volatile components were observed. The chosen orange cultivars could be discriminated using neural networks, genetic relocation algorithms and linear discriminant analysis. Genetic algorithms applied to the data were also able to detect the most significant compounds. SPME is a useful technique to investigate orange juice volatile composition and a flexible chemometric approach is able to correctly separate the juices.

Volatilization and Precipitation of Tellurium by Aerobic, Tellurite-Resistant Marine Microbes▿ †

PubMed Central

Ollivier, Patrick R. L.; Bahrou, Andrew S.; Marcus, Sarah; Cox, Talisha; Church, Thomas M.; Hanson, Thomas E.

2008-01-01

Microbial resistance to tellurite, an oxyanion of tellurium, is widespread in the biosphere, but the geochemical significance of this trait is poorly understood. As some tellurite resistance markers appear to mediate the formation of volatile tellurides, the potential contribution of tellurite-resistant microbial strains to trace element volatilization in salt marsh sediments was evaluated. Microbial strains were isolated aerobically on the basis of tellurite resistance and subsequently examined for their capacity to volatilize tellurium in pure cultures. The tellurite-resistant strains recovered were either yeasts related to marine isolates of Rhodotorula spp. or gram-positive bacteria related to marine strains within the family Bacillaceae based on rRNA gene sequence comparisons. Most strains produced volatile tellurides, primarily dimethyltelluride, though there was a wide range of the types and amounts of species produced. For example, the Rhodotorula spp. produced the greatest quantities and highest diversity of volatile tellurium compounds. All strains also produced methylated sulfur compounds, primarily dimethyldisulfide. Intracellular tellurium precipitates were a major product of tellurite metabolism in all strains tested, with nearly complete recovery of the tellurite initially provided to cultures as a precipitate. Different strains appeared to produce different shapes and sizes of tellurium containing nanostructures. These studies suggest that aerobic marine yeast and Bacillus spp. may play a greater role in trace element biogeochemistry than has been previously assumed, though additional work is needed to further define and quantify their specific contributions. PMID:18849455

An online peak extraction algorithm for ion mobility spectrometry data.

PubMed

Kopczynski, Dominik; Rahmann, Sven

2015-01-01

Ion mobility (IM) spectrometry (IMS), coupled with multi-capillary columns (MCCs), has been gaining importance for biotechnological and medical applications because of its ability to detect and quantify volatile organic compounds (VOC) at low concentrations in the air or in exhaled breath at ambient pressure and temperature. Ongoing miniaturization of spectrometers creates the need for reliable data analysis on-the-fly in small embedded low-power devices. We present the first fully automated online peak extraction method for MCC/IMS measurements consisting of several thousand individual spectra. Each individual spectrum is processed as it arrives, removing the need to store the measurement before starting the analysis, as is currently the state of the art. Thus the analysis device can be an inexpensive low-power system such as the Raspberry Pi. The key idea is to extract one-dimensional peak models (with four parameters) from each spectrum and then merge these into peak chains and finally two-dimensional peak models. We describe the different algorithmic steps in detail and evaluate the online method against state-of-the-art peak extraction methods.

Verification and benchmark testing of the NUFT computer code

NASA Astrophysics Data System (ADS)

Lee, K. H.; Nitao, J. J.; Kulshrestha, A.

1993-10-01

This interim report presents results of work completed in the ongoing verification and benchmark testing of the NUFT (Nonisothermal Unsaturated-saturated Flow and Transport) computer code. NUFT is a suite of multiphase, multicomponent models for numerical solution of thermal and isothermal flow and transport in porous media, with application to subsurface contaminant transport problems. The code simulates the coupled transport of heat, fluids, and chemical components, including volatile organic compounds. Grid systems may be cartesian or cylindrical, with one-, two-, or fully three-dimensional configurations possible. In this initial phase of testing, the NUFT code was used to solve seven one-dimensional unsaturated flow and heat transfer problems. Three verification and four benchmarking problems were solved. In the verification testing, excellent agreement was observed between NUFT results and the analytical or quasianalytical solutions. In the benchmark testing, results of code intercomparison were very satisfactory. From these testing results, it is concluded that the NUFT code is ready for application to field and laboratory problems similar to those addressed here. Multidimensional problems, including those dealing with chemical transport, will be addressed in a subsequent report.

Herbivore specificity and the chemical basis of plant-plant communication in Baccharis salicifolia (Asteraceae).

PubMed

Moreira, Xoaquín; Nell, Colleen S; Katsanis, Angelos; Rasmann, Sergio; Mooney, Kailen A

2016-09-06

It is well known that plant damage by leaf-chewing herbivores can induce resistance in neighbouring plants. It is unknown whether such communication occurs in response to sap-feeding herbivores, whether communication is specific to herbivore identity, and the chemical basis of communication, including specificity. We carried out glasshouse experiments using the California-native shrub Baccharis salicifolia and two ecologically distinct aphid species (one a dietary generalist and the other a specialist) to test for specificity of plant-plant communication and to document the underlying volatile organic compounds (VOCs). We show specificity of plant-plant communication to herbivore identity, as each aphid-damaged plant only induced resistance in neighbours against the same aphid species. The amount and composition of induced VOCs were markedly different between plants attacked by the two aphid species, providing a putative chemical mechanism for this specificity. Furthermore, a synthetic blend of the five major aphid-induced VOCs (ethanone, limonene, methyl salicylate, myrcene, ocimene) triggered resistance in receiving plants of comparable magnitude to aphid damage of neighbours, and the effects of the blend exceeded those of individual compounds. This study significantly advances our understanding of plant-plant communication by demonstrating the importance of sap-feeding herbivores and herbivore identity, as well as the chemical basis for such effects. © 2016 The Authors. New Phytologist © 2016 New Phytologist Trust.

Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio.

PubMed

Wang, Yu; Li, Feng; Li, Yafei; Chen, Zhongfang

2016-05-03

Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of a two-dimensional material, namely Be5C2 monolayer on the basis of density functional theory computations. In Be5C2 monolayer, each carbon atom binds with five beryllium atoms in almost the same plane, forming a quasi-planar pentacoordinate carbon moiety. Be5C2 monolayer appears to have good stability as revealed by its moderate cohesive energy, positive phonon modes and high melting point. It is the lowest-energy structure with the Be5C2 stoichiometry in two-dimensional space and therefore holds some promise to be realized experimentally. Be5C2 monolayer is a gapless semiconductor with a Dirac-like point in the band structure and also has an unusual negative Poisson's ratio. If synthesized, Be5C2 monolayer may find applications in electronics and mechanics.

Unbiased nonorthogonal bases for tomographic reconstruction

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

Sainz, Isabel; Klimov, Andrei B.; Roa, Luis

2010-05-15

We have developed a general method for constructing a set of nonorthogonal bases with equal separations between all different basis states in prime dimensions. The results are that the corresponding biorthogonal counterparts are pairwise unbiased with the components of the original bases. Using these bases, we derive an explicit expression for the optimal tomography in nonorthogonal bases. A special two-dimensional case is analyzed separately.

Computational Electromagnetics

DTIC Science & Technology

2011-02-20

finite differences use the continuation method instead, and have been shown to lead to unconditionally stable numerics for a wide range of realistic PDE...best previous solvers were restricted to two-dimensional (range and height) refractive index variations. The numerical method we introduced...however, is such that even its solution on the basis of Rytov’s method gives rise to extremely high computational costs. We thus resort to

Chalconoid and stilbenoid glycosides from Guibourtia tessmanii.

PubMed

Fuendjiep, V; Wandji, J; Tillequin, F; Mulholland, D A; Budzikiewicz, H; Fomum, Z T; Nyemba, A M; Koch, M

2002-08-01

Phytochemical studies on the stem bark of Guibourtia tessmanii yielded a dihydrochalcone glucoside, 2',4-dihydroxy-4'-methoxy-6'-O-beta-glucopyranoside dihydrochalcone and a new stilbene glycoside, 3,5-dimethoxy-4'-O-(beta-rhamnopyranosyl-(1-->6)-beta- glucopyranoside) stilbene besides the known pterostilbene. Their structures were established on the basis of one and two dimensional NMR spectroscopic techniques, FABMS and chemical evidence.

C-ME: A 3D Community-Based, Real-Time Collaboration Tool for Scientific Research and Training

PubMed Central

Kolatkar, Anand; Kennedy, Kevin; Halabuk, Dan; Kunken, Josh; Marrinucci, Dena; Bethel, Kelly; Guzman, Rodney; Huckaby, Tim; Kuhn, Peter

2008-01-01

The need for effective collaboration tools is growing as multidisciplinary proteome-wide projects and distributed research teams become more common. The resulting data is often quite disparate, stored in separate locations, and not contextually related. Collaborative Molecular Modeling Environment (C-ME) is an interactive community-based collaboration system that allows researchers to organize information, visualize data on a two-dimensional (2-D) or three-dimensional (3-D) basis, and share and manage that information with collaborators in real time. C-ME stores the information in industry-standard databases that are immediately accessible by appropriate permission within the computer network directory service or anonymously across the internet through the C-ME application or through a web browser. The system addresses two important aspects of collaboration: context and information management. C-ME allows a researcher to use a 3-D atomic structure model or a 2-D image as a contextual basis on which to attach and share annotations to specific atoms or molecules or to specific regions of a 2-D image. These annotations provide additional information about the atomic structure or image data that can then be evaluated, amended or added to by other project members. PMID:18286178

The Dimer Interface of the Membrane Type 1 Matrix Metalloproteinase Hemopexin Domain

PubMed Central

Tochowicz, Anna; Goettig, Peter; Evans, Richard; Visse, Robert; Shitomi, Yasuyuki; Palmisano, Ralf; Ito, Noriko; Richter, Klaus; Maskos, Klaus; Franke, Daniel; Svergun, Dmitri; Nagase, Hideaki; Bode, Wolfram; Itoh, Yoshifumi

2011-01-01

Homodimerization is an essential step for membrane type 1 matrix metalloproteinase (MT1-MMP) to activate proMMP-2 and to degrade collagen on the cell surface. To uncover the molecular basis of the hemopexin (Hpx) domain-driven dimerization of MT1-MMP, a crystal structure of the Hpx domain was solved at 1.7 Å resolution. Two interactions were identified as potential biological dimer interfaces in the crystal structure, and mutagenesis studies revealed that the biological dimer possesses a symmetrical interaction where blades II and III of molecule A interact with blades III and II of molecule B. The mutations of amino acids involved in the interaction weakened the dimer interaction of Hpx domains in solution, and incorporation of these mutations into the full-length enzyme significantly inhibited dimer-dependent functions on the cell surface, including proMMP-2 activation, collagen degradation, and invasion into the three-dimensional collagen matrix, whereas dimer-independent functions, including gelatin film degradation and two-dimensional cell migration, were not affected. These results shed light on the structural basis of MT1-MMP dimerization that is crucial to promote cellular invasion. PMID:21193411

The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions.

PubMed

Tochowicz, Anna; Goettig, Peter; Evans, Richard; Visse, Robert; Shitomi, Yasuyuki; Palmisano, Ralf; Ito, Noriko; Richter, Klaus; Maskos, Klaus; Franke, Daniel; Svergun, Dmitri; Nagase, Hideaki; Bode, Wolfram; Itoh, Yoshifumi

2011-03-04

Homodimerization is an essential step for membrane type 1 matrix metalloproteinase (MT1-MMP) to activate proMMP-2 and to degrade collagen on the cell surface. To uncover the molecular basis of the hemopexin (Hpx) domain-driven dimerization of MT1-MMP, a crystal structure of the Hpx domain was solved at 1.7 Å resolution. Two interactions were identified as potential biological dimer interfaces in the crystal structure, and mutagenesis studies revealed that the biological dimer possesses a symmetrical interaction where blades II and III of molecule A interact with blades III and II of molecule B. The mutations of amino acids involved in the interaction weakened the dimer interaction of Hpx domains in solution, and incorporation of these mutations into the full-length enzyme significantly inhibited dimer-dependent functions on the cell surface, including proMMP-2 activation, collagen degradation, and invasion into the three-dimensional collagen matrix, whereas dimer-independent functions, including gelatin film degradation and two-dimensional cell migration, were not affected. These results shed light on the structural basis of MT1-MMP dimerization that is crucial to promote cellular invasion.

Localization and separation of acoustic sources by using a 2.5-dimensional circular microphone array.

PubMed

Bai, Mingsian R; Lai, Chang-Sheng; Wu, Po-Chen

2017-07-01

Circular microphone arrays (CMAs) are sufficient in many immersive audio applications because azimuthal angles of sources are considered more important than the elevation angles in those occasions. However, the fact that CMAs do not resolve the elevation angle well can be a limitation for some applications which involves three-dimensional sound images. This paper proposes a 2.5-dimensional (2.5-D) CMA comprised of a CMA and a vertical logarithmic-spacing linear array (LLA) on the top. In the localization stage, two delay-and-sum beamformers are applied to the CMA and the LLA, respectively. The direction of arrival (DOA) is estimated from the product of two array output signals. In the separation stage, Tikhonov regularization and convex optimization are employed to extract the source amplitudes on the basis of the estimated DOA. The extracted signals from two arrays are further processed by the normalized least-mean-square algorithm with the internal iteration to yield the source signal with improved quality. To validate the 2.5-D CMA experimentally, a three-dimensionally printed circular array comprised of a 24-element CMA and an eight-element LLA is constructed. Objective perceptual evaluation of speech quality test and a subjective listening test are also undertaken.

Chemical transitions of Areca semen during the thermal processing revealed by temperature-resolved ATR-FTIR spectroscopy and two-dimensional correlation analysis

NASA Astrophysics Data System (ADS)

Wang, Zhibiao; Wang, Xu; Pei, Wenxuan; Li, Sen; Sun, Suqin; Zhou, Qun; Chen, Jianbo

2018-03-01

Areca semen is a common herb used in traditional Chinese medicine, but alkaloids in this herb are categorized as Group I carcinogens by IARC. It has been proven that the stir-baking process can reduce alkaloids in Areca semen while keep the activity for promoting digestion. However, the changes of compositions other than alkaloids during the thermal processing are unclear. Understanding the thermal chemical transitions of Areca semen is necessary to explore the processing mechanisms and optimize the procedures. In this research, FTIR spectroscopy with a temperature-controlled ATR accessory is employed to study the heating process of Areca semen. Principal component analysis and two-dimensional correlation spectroscopy are used to interpret the spectra to reveal the chemical transitions of Areca semen in different temperature ranges. The loss of a few volatile compounds in the testa and sperm happens below 105 °C, while some esters in the sperm decreases above 105 °C. As the heating temperature is close to 210 °C, Areca semen begins to be scorched and the decomposition of many compounds can be observed. This research shows the potential of the temperature-resolved ATR-FTIR spectroscopy in exploring the chemical transitions of the thermal processing of herbal materials.

Reducing variation in decomposition odour profiling using comprehensive two-dimensional gas chromatography.

PubMed

Perrault, Katelynn A; Stefanuto, Pierre-Hugues; Stuart, Barbara H; Rai, Tapan; Focant, Jean-François; Forbes, Shari L

2015-01-01

Challenges in decomposition odour profiling have led to variation in the documented odour profile by different research groups worldwide. Background subtraction and use of controls are important considerations given the variation introduced by decomposition studies conducted in different geographical environments. The collection of volatile organic compounds (VOCs) from soil beneath decomposing remains is challenging due to the high levels of inherent soil VOCs, further confounded by the use of highly sensitive instrumentation. This study presents a method that provides suitable chromatographic resolution for profiling decomposition odour in soil by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry using appropriate controls and field blanks. Logarithmic transformation and t-testing of compounds permitted the generation of a compound list of decomposition VOCs in soil. Principal component analysis demonstrated the improved discrimination between experimental and control soil, verifying the value of the data handling method. Data handling procedures have not been well documented in this field and standardisation would thereby reduce misidentification of VOCs present in the surrounding environment as decomposition byproducts. Uniformity of data handling and instrumental procedures will reduce analytical variation, increasing confidence in the future when investigating the effect of taphonomic variables on the decomposition VOC profile. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast Assembly of Gold Nanoparticles in Large-Area 2D Nanogrids Using a One-Step, Near-Infrared Radiation-Assisted Evaporation Process.

PubMed

Utgenannt, André; Maspero, Ross; Fortini, Andrea; Turner, Rebecca; Florescu, Marian; Jeynes, Christopher; Kanaras, Antonios G; Muskens, Otto L; Sear, Richard P; Keddie, Joseph L

2016-02-23

When fabricating photonic crystals from suspensions in volatile liquids using the horizontal deposition method, the conventional approach is to evaporate slowly to increase the time for particles to settle in an ordered, periodic close-packed structure. Here, we show that the greatest ordering of 10 nm aqueous gold nanoparticles (AuNPs) in a template of larger spherical polymer particles (mean diameter of 338 nm) is achieved with very fast water evaporation rates obtained with near-infrared radiative heating. Fabrication of arrays over areas of a few cm(2) takes only 7 min. The assembly process requires that the evaporation rate is fast relative to the particles' Brownian diffusion. Then a two-dimensional colloidal crystal forms at the falling surface, which acts as a sieve through which the AuNPs pass, according to our Langevin dynamics computer simulations. With sufficiently fast evaporation rates, we create a hybrid structure consisting of a two-dimensional AuNP nanoarray (or "nanogrid") on top of a three-dimensional polymer opal. The process is simple, fast, and one-step. The interplay between the optical response of the plasmonic Au nanoarray and the microstructuring of the photonic opal results in unusual optical spectra with two extinction peaks, which are analyzed via finite-difference time-domain method simulations. Comparison between experimental and modeling results reveals a strong interplay of plasmonic modes and collective photonic effects, including the formation of a high-order stopband and slow-light-enhanced plasmonic absorption. The structures, and hence their optical signatures, are tuned by adjusting the evaporation rate via the infrared power density.

Angular studies of the magnetoresistance in the density wave state of the quasi-two-dimensional purple bronze KMo6O17

NASA Astrophysics Data System (ADS)

Guyot, H.; Dumas, J.; Kartsovnik, M. V.; Marcus, J.; Schlenker, C.; Sheikin, I.; Vignolles, D.

2007-07-01

The purple molybdenum bronze KMo6O17 is a quasi-two-dimensional compound which shows a Peierls transition towards a commensurate metallic charge density wave (CDW) state. High magnetic field measurements have revealed several transitions at low temperature and have provided an unusual phase diagram “temperature-magnetic field”. Angular studies of the interlayer magnetoresistance are now reported. The results suggest that the orbital coupling of the magnetic field to the CDW is the most likely mechanism for the field induced transitions. The angular dependence of the magnetoresistance is discussed on the basis of a warped quasi-cylindrical Fermi surface and provides information on the geometry of the Fermi surface in the low temperature density wave state.

Appearance of ionization instability in a low-voltage arc

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

Kobelevskii, A.V.; Nastoyashchii, A.F.

1986-09-01

The conditions for the appearance of the ionization instability in a low-voltage arc are examined. On the basis of the model of a Knudsen arc a criterion is obtained for the appearance of the instability and the possible types of dispersion relations are analyzed. The possibility of ionization instability in a short arc in cesium vapor is discussed. The results of a numerical investigation of the appearance of ionization instability, including the nonlinear stage, in a two-dimensional formulation of the problem are presented. When the fluctuations in the elec tron temperature are in antiphase with the density fluctuations, stable (long-lived)more » two-dimensional structures, which are characterized by a high degree of modulation of the degree of ionization of the gas, can form.« less

Two fast approximate wavelet algorithms for image processing, classification, and recognition

NASA Astrophysics Data System (ADS)

Wickerhauser, Mladen V.

1994-07-01

We use large libraries of template waveforms with remarkable orthogonality properties to recast the relatively complex principal orthogonal decomposition (POD) into an optimization problem with a fast solution algorithm. Then it becomes practical to use POD to solve two related problems: recognizing or classifying images, and inverting a complicated map from a low-dimensional configuration space to a high-dimensional measurement space. In the case where the number N of pixels or measurements is more than 1000 or so, the classical O(N3) POD algorithms becomes very costly, but it can be replaced with an approximate best-basis method that has complexity O(N2logN). A variation of POD can also be used to compute an approximate Jacobian for the complicated map.

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

Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

In this paper, we present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support ourmore » construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Lastly, our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

Towards a voxel-based geographic automata for the simulation of geospatial processes

NASA Astrophysics Data System (ADS)

Jjumba, Anthony; Dragićević, Suzana

2016-07-01

Many geographic processes evolve in a three dimensional space and time continuum. However, when they are represented with the aid of geographic information systems (GIS) or geosimulation models they are modelled in a framework of two-dimensional space with an added temporal component. The objective of this study is to propose the design and implementation of voxel-based automata as a methodological approach for representing spatial processes evolving in the four-dimensional (4D) space-time domain. Similar to geographic automata models which are developed to capture and forecast geospatial processes that change in a two-dimensional spatial framework using cells (raster geospatial data), voxel automata rely on the automata theory and use three-dimensional volumetric units (voxels). Transition rules have been developed to represent various spatial processes which range from the movement of an object in 3D to the diffusion of airborne particles and landslide simulation. In addition, the proposed 4D models demonstrate that complex processes can be readily reproduced from simple transition functions without complex methodological approaches. The voxel-based automata approach provides a unique basis to model geospatial processes in 4D for the purpose of improving representation, analysis and understanding their spatiotemporal dynamics. This study contributes to the advancement of the concepts and framework of 4D GIS.

FORMULATING ULTRA-LOW-VOC WOOD FURNITURE COATINGS

EPA Science Inventory

The article discusses the formulation of ultra-low volatile organic compound (VOC) wood furniture coatings. The annual U.S. market for wood coatings is about 240, 000 cu m (63 million gal). In this basis, between 57 and 91 million kg (125 and 200 million lb) of VOCs are emitted i...

History and development of food-based attractants

USDA-ARS?s Scientific Manuscript database

Adult tephrids require sugar and protein for survival and for development of eggs, and volatile chemicals from these substances are the basis for food-based lures developed as baits for these pests. In this chapter, we discuss food-based lures that mimic food sources for adults other than host fruit...

Synthesizing Scientific Progress: Outcomes from US EPA’s Carbonaceous Aerosols and Source Apportionment STAR Grants

EPA Science Inventory

ABSTRACTA number of studies in the past decade have transformed the way we think about atmospheric aerosols. The advances include, but are not limited to, source apportionment of organics using aerosol mass spectrometer data, the volatility basis set approach, quantifying isopre...

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

Trevisanutto, Paolo E.; Vignale, Giovanni, E-mail: vignaleg@missouri.edu

Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a periodicity in the third direction (perpendicular to the layer) is completely artificial and may lead in some cases to spurious results and to difficulties in treating the action of external fields. In this paper we develop a new approach, which is “native” to quasi-2D materials, making use of basis function that are periodic in the plane, but atomic-like in the perpendicular direction. We show how some of the basicmore » tools of ab initio electronic structure theory — density functional theory, GW approximation and Bethe-Salpeter equation — are implemented in the new basis. We argue that the new approach will be preferable to the conventional one in treating the peculiarities of layered materials, including the long range of the unscreened Coulomb interaction in insulators, and the effects of strain, corrugations, and external fields.« less

Digital SAR processing using a fast polynomial transform

NASA Technical Reports Server (NTRS)

Butman, S.; Lipes, R.; Rubin, A.; Truong, T. K.

1981-01-01

A new digital processing algorithm based on the fast polynomial transform is developed for producing images from Synthetic Aperture Radar data. This algorithm enables the computation of the two dimensional cyclic correlation of the raw echo data with the impulse response of a point target, thereby reducing distortions inherent in one dimensional transforms. This SAR processing technique was evaluated on a general-purpose computer and an actual Seasat SAR image was produced. However, regular production runs will require a dedicated facility. It is expected that such a new SAR processing algorithm could provide the basis for a real-time SAR correlator implementation in the Deep Space Network.

A low threshold nanocavity in a two-dimensional 12-fold photonic quasicrystal

NASA Astrophysics Data System (ADS)

Ren, Jie; Sun, XiaoHong; Wang, Shuai

2018-05-01

In this article, a low threshold nanocavity is built and investigated in a two-dimensional 12-fold holographic photonic quasicrystal (PQC). The cavity is formed by using the method of multi-beam common-path interference. By finely adjusting the structure parameters of the cavity, the Q factor and the mode volume are optimized, which are two keys to low-threshold on the basis of Purcell effect. Finally, an optimal cavity is obtained with Q value of 6023 and mode volume of 1.24 ×10-12cm3 . On the other hand, by Fourier Transformation of the electric field components in the cavity, the in-plane wave vectors are calculated and fitted to evaluate the cavity performance. The performance analysis of the cavity further proves the effectiveness of the optimization process. This has a guiding significance for the research of low threshold nano-laser.

[Study on two preparation methods for beta-CD inclusion compound of four traditional Chinese medicine volatile oils].

PubMed

Li, Hailiang; Cui, Xiaoli; Tong, Yan; Gong, Muxin

2012-04-01

To compare inclusion effects and process conditions of two preparation methods-colloid mill and saturated solution-for beta-CD inclusion compound of four traditional Chinese medicine volatile oils and study the relationship between each process condition and volatile oil physical properties and the regularity of selective inclusion of volatile oil components. Volatile oils from Nardostachyos Radix et Rhizoma, Amomi Fructus, Zingiberis Rhizoma and Angelicaesinensis Radix were prepared using two methods in the orthogonal test. These inclusion compounds by optimized processes were assessed and compared by such methods as TLC, IR and scanning electron microscope. Inclusion oils were extracted by steam distillation, and the components found before and after inclusion were analyzed by GC-MS. Analysis showed that new inclusion compounds, but inclusion compounds prepared by the two processes had differences to some extent. The colloid mill method showed a better inclusion effect than the saturated solution method, indicating that their process conditions had relations with volatile oil physical properties. There were differences in the inclusion selectivity of components between each other. The colloid mill method for inclusion preparation is more suitable for industrial requirements. To prepare volatile oil inclusion compounds with heavy gravity and high refractive index, the colloid mill method needs longer time and more water, while the saturated solution method requires higher temperature and more beta-cyclodextrin. The inclusion complex prepared with the colloid mill method contains extended molecular weight chemical composition, but the kinds of components are reduced.

A DATA-DRIVEN MODEL FOR SPECTRA: FINDING DOUBLE REDSHIFTS IN THE SLOAN DIGITAL SKY SURVEY

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

Tsalmantza, P.; Hogg, David W., E-mail: vivitsal@mpia.de

2012-07-10

We present a data-driven method-heteroscedastic matrix factorization, a kind of probabilistic factor analysis-for modeling or performing dimensionality reduction on observed spectra or other high-dimensional data with known but non-uniform observational uncertainties. The method uses an iterative inverse-variance-weighted least-squares minimization procedure to generate a best set of basis functions. The method is similar to principal components analysis (PCA), but with the substantial advantage that it uses measurement uncertainties in a responsible way and accounts naturally for poorly measured and missing data; it models the variance in the noise-deconvolved data space. A regularization can be applied, in the form of a smoothnessmore » prior (inspired by Gaussian processes) or a non-negative constraint, without making the method prohibitively slow. Because the method optimizes a justified scalar (related to the likelihood), the basis provides a better fit to the data in a probabilistic sense than any PCA basis. We test the method on Sloan Digital Sky Survey (SDSS) spectra, concentrating on spectra known to contain two redshift components: these are spectra of gravitational lens candidates and massive black hole binaries. We apply a hypothesis test to compare one-redshift and two-redshift models for these spectra, utilizing the data-driven model trained on a random subset of all SDSS spectra. This test confirms 129 of the 131 lens candidates in our sample and all of the known binary candidates, and turns up very few false positives.« less

Analysis of particle-associated semi-volatile aromatic and aliphatic hydrocarbons in urban particulate matter on a daily basis

NASA Astrophysics Data System (ADS)

Schnelle-Kreis, Jürgen; Sklorz, Martin; Peters, Anette; Cyrys, Josef; Zimmermann, Ralf

PM 2.5 Particle-associated semi-volatile organic compounds (SVOC) were determined in the city of Augsburg, Germany. Daily samples were collected at a central monitoring station from late summer to late autumn 2002. The concentrations of polycyclic aromatic hydrocarbons (PAH), oxidized PAH (O-PAH), n-alkanes, hopanes and long chain linear alkylbenzenes were determined by direct thermal desorption-gas chromatography-time of flight mass spectrometry (DTD-GC-TOFMS). Additionally, PM 2.5 particle mass and number concentrations were measured. The sampling campaign can be divided into two parts, distinguished by a lower temperature level in the second part of the campaign. The particulate mass concentration showed no significant changes, whereas most of the SVOC had significant higher mean and peak concentrations in the colder period. The analysis of the data showed an increased influence of non-traffic sources in the colder period, reflected by a weak shift in the PAH profile and a significant shift in the hopane pattern. Statistical analysis of the inter-group correlations was carried out. Eight clusters partly representing different sources of the aerosol have been identified.

On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H(+)3 up to dissociation.

PubMed

Szidarovszky, Tamás; Császár, Attila G; Czakó, Gábor

2010-08-01

Several techniques of varying efficiency are investigated, which treat all singularities present in the triatomic vibrational kinetic energy operator given in orthogonal internal coordinates of the two distances-one angle type. The strategies are based on the use of a direct-product basis built from one-dimensional discrete variable representation (DVR) bases corresponding to the two distances and orthogonal Legendre polynomials, or the corresponding Legendre-DVR basis, corresponding to the angle. The use of Legendre functions ensures the efficient treatment of the angular singularity. Matrix elements of the singular radial operators are calculated employing DVRs using the quadrature approximation as well as special DVRs satisfying the boundary conditions and thus allowing for the use of exact DVR expressions. Potential optimized (PO) radial DVRs, based on one-dimensional Hamiltonians with potentials obtained by fixing or relaxing the two non-active coordinates, are also studied. The numerical calculations employed Hermite-DVR, spherical-oscillator-DVR, and Bessel-DVR bases as the primitive radial functions. A new analytical formula is given for the determination of the matrix elements of the singular radial operator using the Bessel-DVR basis. The usually claimed failure of the quadrature approximation in certain singular integrals is revisited in one and three dimensions. It is shown that as long as no potential optimization is carried out the quadrature approximation works almost as well as the exact DVR expressions. If wave functions with finite amplitude at the boundary are to be computed, the basis sets need to meet the required boundary conditions. The present numerical results also confirm that PO-DVRs should be constructed employing relaxed potentials and PO-DVRs can be useful for optimizing quadrature points for calculations applying large coordinate intervals and describing large-amplitude motions. The utility and efficiency of the different algorithms is demonstrated by the computation of converged near-dissociation vibrational energy levels for the H molecular ion.

A discrete fracture model for two-phase flow in fractured porous media

NASA Astrophysics Data System (ADS)

Gläser, Dennis; Helmig, Rainer; Flemisch, Bernd; Class, Holger

2017-12-01

A discrete fracture model on the basis of a cell-centered finite volume scheme with multi-point flux approximation (MPFA) is presented. The fractures are included in a d-dimensional computational domain as (d - 1)-dimensional entities living on the element facets, which requires the grid to have the element facets aligned with the fracture geometries. However, the approach overcomes the problem of small cells inside the fractures when compared to equi-dimensional models. The system of equations considered is solved on both the matrix and the fracture domain, where on the prior the fractures are treated as interior boundaries and on the latter the exchange term between fracture and matrix appears as an additional source/sink. This exchange term is represented by the matrix-fracture fluxes, computed as functions of the unknowns in both domains by applying adequate modifications to the MPFA scheme. The method is applicable to both low-permeable as well as highly conductive fractures. The quality of the results obtained by the discrete fracture model is studied by comparison to an equi-dimensional discretization on a simple geometry for both single- and two-phase flow. For the case of two-phase flow in a highly conductive fracture, good agreement in the solution and in the matrix-fracture transfer fluxes could be observed, while for a low-permeable fracture the discrepancies were more pronounced. The method is then applied two-phase flow through a realistic fracture network in two and three dimensions.

Geomorphic clues to the Martian volatile inventory. 1: Flow ejecta blankets

NASA Technical Reports Server (NTRS)

Pieri, D.; Baloga, S.; Norris, M.

1984-01-01

There are classes of landforms whose presence on Mars is strongly suggestive, if not confirmatory, of the participation of volatiles, presumably water, in its geomorphic development: (1) valley networks, (2) outflow channels, (3) landslides, and (4) flow-ejecta blankets. The first two may represent landforms generated by the movement of volatiles from sources, while the latter two probably represent the dissipation of energy generated by forcing inputs (e.g., kinetic energy and gravity) modulated by volatiles. In many areas on Mars, all four processes have acted on the same lithologic materials and were influenced by the composition of those units, and possibility by the climatic regime at the time of their formation. One of the approaches discussed to this specific problem of landform genesis, and to the general problem of the present and past states of martian volatiles, is to attempt to constrain the distribution, amount, and history of available volatiles by using possible evidence of volatile participation expressed in the morphology of other related landforms (e.g., flow-ejecta blankets and landslides) coupled with physical models for landform genesis.

Geomorphic clues to the Martian volatile inventory. 1: Flow ejecta blankets

NASA Astrophysics Data System (ADS)

Pieri, D.; Baloga, S.; Norris, M.

1984-04-01

There are classes of landforms whose presence on Mars is strongly suggestive, if not confirmatory, of the participation of volatiles, presumably water, in its geomorphic development: (1) valley networks, (2) outflow channels, (3) landslides, and (4) flow-ejecta blankets. The first two may represent landforms generated by the movement of volatiles from sources, while the latter two probably represent the dissipation of energy generated by forcing inputs (e.g., kinetic energy and gravity) modulated by volatiles. In many areas on Mars, all four processes have acted on the same lithologic materials and were influenced by the composition of those units, and possibility by the climatic regime at the time of their formation. One of the approaches discussed to this specific problem of landform genesis, and to the general problem of the present and past states of martian volatiles, is to attempt to constrain the distribution, amount, and history of available volatiles by using possible evidence of volatile participation expressed in the morphology of other related landforms (e.g., flow-ejecta blankets and landslides) coupled with physical models for landform genesis.

Novel gene sets improve set-level classification of prokaryotic gene expression data.

PubMed

Holec, Matěj; Kuželka, Ondřej; Železný, Filip

2015-10-28

Set-level classification of gene expression data has received significant attention recently. In this setting, high-dimensional vectors of features corresponding to genes are converted into lower-dimensional vectors of features corresponding to biologically interpretable gene sets. The dimensionality reduction brings the promise of a decreased risk of overfitting, potentially resulting in improved accuracy of the learned classifiers. However, recent empirical research has not confirmed this expectation. Here we hypothesize that the reported unfavorable classification results in the set-level framework were due to the adoption of unsuitable gene sets defined typically on the basis of the Gene ontology and the KEGG database of metabolic networks. We explore an alternative approach to defining gene sets, based on regulatory interactions, which we expect to collect genes with more correlated expression. We hypothesize that such more correlated gene sets will enable to learn more accurate classifiers. We define two families of gene sets using information on regulatory interactions, and evaluate them on phenotype-classification tasks using public prokaryotic gene expression data sets. From each of the two gene-set families, we first select the best-performing subtype. The two selected subtypes are then evaluated on independent (testing) data sets against state-of-the-art gene sets and against the conventional gene-level approach. The novel gene sets are indeed more correlated than the conventional ones, and lead to significantly more accurate classifiers. The novel gene sets are indeed more correlated than the conventional ones, and lead to significantly more accurate classifiers. Novel gene sets defined on the basis of regulatory interactions improve set-level classification of gene expression data. The experimental scripts and other material needed to reproduce the experiments are available at http://ida.felk.cvut.cz/novelgenesets.tar.gz.

Silica-volatile interaction and the geological cause of the Xuan Wei lung cancer epidemic

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

David J. Large; Shona Kelly; Baruch Spiro

2009-12-01

Parts of Xuan Wei County, Yunnan Province, China have the highest known lung cancer mortality in nonsmoking women. This high mortality displays a clear spatial relationship to the mines producing coal from the uppermost Permian. Geochemical, petrographic, and grain size analyses were undertaken on a set of coal samples from Xuan Wei. Results demonstrate that the single geochemical property that makes this coal unusual is its high concentration of quartz (13.5 wt %) of which 35-55% occurs as < 10 {mu}m grains. We propose the potential for silica-volatile interaction (PSVI) as a new method for assessing the combined influence ofmore » silica and volatile organic matter and use this as a basis for re-evaluating existing ecological data. Published lung cancer mortality values are more strongly correlated with PSVI values for Xuan Wei coal than with volatiles or silica alone and the PSVI values measured are distinct from those of other coals. Finally we propose that the localization of this epidemic to Xuan Wei results from enhanced weathering of the local Emeishan basalts as a consequence of geochemical perturbations at the Permo-Triassic Boundary.« less

Estimates of the organic aerosol volatility in a boreal forest using two independent methods

NASA Astrophysics Data System (ADS)

Hong, Juan; Äijälä, Mikko; Häme, Silja A. K.; Hao, Liqing; Duplissy, Jonathan; Heikkinen, Liine M.; Nie, Wei; Mikkilä, Jyri; Kulmala, Markku; Prisle, Nønne L.; Virtanen, Annele; Ehn, Mikael; Paasonen, Pauli; Worsnop, Douglas R.; Riipinen, Ilona; Petäjä, Tuukka; Kerminen, Veli-Matti

2017-03-01

The volatility distribution of secondary organic aerosols that formed and had undergone aging - i.e., the particle mass fractions of semi-volatile, low-volatility and extremely low volatility organic compounds in the particle phase - was characterized in a boreal forest environment of Hyytiälä, southern Finland. This was done by interpreting field measurements using a volatility tandem differential mobility analyzer (VTDMA) with a kinetic evaporation model. The field measurements were performed during April and May 2014. On average, 40 % of the organics in particles were semi-volatile, 34 % were low-volatility organics and 26 % were extremely low volatility organics. The model was, however, very sensitive to the vaporization enthalpies assumed for the organics (ΔHVAP). The best agreement between the observed and modeled temperature dependence of the evaporation was obtained when effective vaporization enthalpy values of 80 kJ mol-1 were assumed. There are several potential reasons for the low effective enthalpy value, including molecular decomposition or dissociation that might occur in the particle phase upon heating, mixture effects and compound-dependent uncertainties in the mass accommodation coefficient. In addition to the VTDMA-based analysis, semi-volatile and low-volatility organic mass fractions were independently determined by applying positive matrix factorization (PMF) to high-resolution aerosol mass spectrometer (HR-AMS) data. The factor separation was based on the oxygenation levels of organics, specifically the relative abundance of mass ions at m/z 43 (f43) and m/z 44 (f44). The mass fractions of these two organic groups were compared against the VTDMA-based results. In general, the best agreement between the VTDMA results and the PMF-derived mass fractions of organics was obtained when ΔHVAP = 80 kJ mol-1 was set for all organic groups in the model, with a linear correlation coefficient of around 0.4. However, this still indicates that only about 16 % (R2) of the variation can be explained by the linear regression between the results from these two methods. The prospect of determining of extremely low volatility organic aerosols (ELVOAs) from AMS data using the PMF analysis should be assessed in future studies.

Progress in multi-dimensional upwind differencing

NASA Technical Reports Server (NTRS)

Vanleer, Bram

1992-01-01

Multi-dimensional upwind-differencing schemes for the Euler equations are reviewed. On the basis of the first-order upwind scheme for a one-dimensional convection equation, the two approaches to upwind differencing are discussed: the fluctuation approach and the finite-volume approach. The usual extension of the finite-volume method to the multi-dimensional Euler equations is not entirely satisfactory, because the direction of wave propagation is always assumed to be normal to the cell faces. This leads to smearing of shock and shear waves when these are not grid-aligned. Multi-directional methods, in which upwind-biased fluxes are computed in a frame aligned with a dominant wave, overcome this problem, but at the expense of robustness. The same is true for the schemes incorporating a multi-dimensional wave model not based on multi-dimensional data but on an 'educated guess' of what they could be. The fluctuation approach offers the best possibilities for the development of genuinely multi-dimensional upwind schemes. Three building blocks are needed for such schemes: a wave model, a way to achieve conservation, and a compact convection scheme. Recent advances in each of these components are discussed; putting them all together is the present focus of a worldwide research effort. Some numerical results are presented, illustrating the potential of the new multi-dimensional schemes.

Diel rhythms in the volatile emission of apple and grape foliage.

PubMed

Giacomuzzi, Valentino; Cappellin, Luca; Nones, Stefano; Khomenko, Iuliia; Biasioli, Franco; Knight, Alan L; Angeli, Sergio

2017-06-01

This study investigated the diel emission of volatile organic compounds (VOCs) from intact apple (Malus x domestica Borkh., cv. Golden Delicious) and grape (Vitis vinifera L., cv. Pinot Noir) foliage. Volatiles were monitored continuously for 48 h by proton transfer reaction - time of flight - mass spectrometry (PTR-ToF-MS). In addition, volatiles were collected by closed-loop-stripping-analysis (CLSA) and characterized by gas chromatography-mass spectrometry (GC-MS) after 1 h and again 24 and 48 h later. Fourteen and ten volatiles were characterized by GC-MS in apple and grape, respectively. The majority of these were terpenes, followed by green leaf volatiles, and aromatic compounds. The PTR-ToF-MS identified 10 additional compounds and established their diel emission rhythms. The most abundant volatiles displaying a diel rhythm included methanol and dimethyl sulfide in both plants, acetone in grape, and mono-, homo- and sesquiterpenes in apple. The majority of volatiles were released from both plants during the photophase; whereas methanol, CO 2 , methyl-butenol and benzeneacetaldehyde were released at significantly higher levels during the scotophase. Acetaldehyde, ethanol, and some green leaf volatiles showed distinct emission bursts in both plants following the daily light switch-off. These new results obtained with a combined analytical approach broaden our understanding of the rhythms of constitutive volatile release from two important horticultural crops. In particular, diel emission of sulfur and nitrogen-containing volatiles are reported here for the first time in these two crops. Copyright © 2017. Published by Elsevier Ltd.

Three-dimensional instability of standing waves

NASA Astrophysics Data System (ADS)

Zhu, Qiang; Liu, Yuming; Yue, Dick K. P.

2003-12-01

We investigate the three-dimensional instability of finite-amplitude standing surface waves under the influence of gravity. The analysis employs the transition matrix (TM) approach and uses a new high-order spectral element (HOSE) method for computation of the nonlinear wave dynamics. HOSE is an extension of the original high-order spectral method (HOS) wherein nonlinear wave wave and wave body interactions are retained up to high order in wave steepness. Instead of global basis functions in HOS, however, HOSE employs spectral elements to allow for complex free-surface geometries and surface-piercing bodies. Exponential convergence of HOS with respect to the total number of spectral modes (for a fixed number of elements) and interaction order is retained in HOSE. In this study, we use TM-HOSE to obtain the stability of general three-dimensional perturbations (on a two-dimensional surface) on two classes of standing waves: plane standing waves in a rectangular tank; and radial/azimuthal standing waves in a circular basin. For plane standing waves, we confirm the known result of two-dimensional side-bandlike instability. In addition, we find a novel three-dimensional instability for base flow of any amplitude. The dominant component of the unstable disturbance is an oblique (standing) wave oriented at an arbitrary angle whose frequency is close to the (nonlinear) frequency of the original standing wave. This finding is confirmed by direct long-time simulations using HOSE which show that the nonlinear evolution leads to classical Fermi Pasta Ulam recurrence. For the circular basin, we find that, beyond a threshold wave steepness, a standing wave (of nonlinear frequency Omega) is unstable to three-dimensional perturbations. The unstable perturbation contains two dominant (standing-wave) components, the sum of whose frequencies is close to 2Omega. From the cases we consider, the critical wave steepness is found to generally decrease/increase with increasing radial/azimuthal mode number of the base standing wave. Finally, we show that the instability we find for both two- and three-dimensional standing waves is a result of third-order (quartet) resonance.

Nonlinear transient analysis via energy minimization

NASA Technical Reports Server (NTRS)

Kamat, M. P.; Knight, N. F., Jr.

1978-01-01

The formulation basis for nonlinear transient analysis of finite element models of structures using energy minimization is provided. Geometric and material nonlinearities are included. The development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. The results indicate the effectiveness of the technique as a viable tool for this purpose.

The openGL visualization of the 2D parallel FDTD algorithm

NASA Astrophysics Data System (ADS)

Walendziuk, Wojciech

2005-02-01

This paper presents a way of visualization of a two-dimensional version of a parallel algorithm of the FDTD method. The visualization module was created on the basis of the OpenGL graphic standard with the use of the GLUT interface. In addition, the work includes the results of the efficiency of the parallel algorithm in the form of speedup charts.

Understanding the determinants of volatility clustering in terms of stationary Markovian processes

NASA Astrophysics Data System (ADS)

Miccichè, S.

2016-11-01

Volatility is a key variable in the modeling of financial markets. The most striking feature of volatility is that it is a long-range correlated stochastic variable, i.e. its autocorrelation function decays like a power-law τ-β for large time lags. In the present work we investigate the determinants of such feature, starting from the empirical observation that the exponent β of a certain stock's volatility is a linear function of the average correlation of such stock's volatility with all other volatilities. We propose a simple approach consisting in diagonalizing the cross-correlation matrix of volatilities and investigating whether or not the diagonalized volatilities still keep some of the original volatility stylized facts. As a result, the diagonalized volatilities result to share with the original volatilities either the power-law decay of the probability density function and the power-law decay of the autocorrelation function. This would indicate that volatility clustering is already present in the diagonalized un-correlated volatilities. We therefore present a parsimonious univariate model based on a non-linear Langevin equation that well reproduces these two stylized facts of volatility. The model helps us in understanding that the main source of volatility clustering, once volatilities have been diagonalized, is that the economic forces driving volatility can be modeled in terms of a Smoluchowski potential with logarithmic tails.

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

Tests with three-dimensional adjustments in the rectangular working section of the French T2 wind tunnel with an AS 07-type swept-back wing model

NASA Technical Reports Server (NTRS)

Blanchard, A.; Payry, M. J.; Breil, J. F.

1986-01-01

The results obtained on the AS 07 wing and the working section walls for three types of configurations are reported. The first, called non-adapted, corresponds to the divergent upper and lower rectilinear walls which compensate for limit layer thickening. It can serve as a basis for complete flow calculations. The second configuration corresponds to wall shapes determined from calculations which tend to minimize interference at the level of the fuselage. Finally, the third configuration, called two-dimensional adaptation, uses the standard method for T2 profile tests. This case was tested to determine the influence of wall shape and error magnitude. These results are not sufficient to validate the three-dimensional adaptation; they must be coordinated with calculations or with unlimited atmosphere tests.

Comparison of laser anemometer measurements and theory in an annular turbine cascade with experimental accuracy determined by parameter estimation

NASA Technical Reports Server (NTRS)

Goldman, L. J.; Seasholtz, R. G.

1982-01-01

Experimental measurements of the velocity components in the blade to blade (axial tangential) plane were obtained with an axial flow turbine stator passage and were compared with calculations from three turbomachinery computer programs. The theoretical results were calculated from a quasi three dimensional inviscid code, a three dimensional inviscid code, and a three dimensional viscous code. Parameter estimation techniques and a particle dynamics calculation were used to assess the accuracy of the laser measurements, which allow a rational basis for comparison of the experimenal and theoretical results. The general agreement of the experimental data with the results from the two inviscid computer codes indicates the usefulness of these calculation procedures for turbomachinery blading. The comparison with the viscous code, while generally reasonable, was not as good as for the inviscid codes.

Coherent frequency bridge between visible and telecommunications band for vortex light.

PubMed

Liu, Shi-Long; Liu, Shi-Kai; Li, Yin-Hai; Shi, Shuai; Zhou, Zhi-Yuan; Shi, Bao-Sen

2017-10-02

In quantum communications, vortex photons can encode higher-dimensional quantum states and build high-dimensional communication networks (HDCNs). The interfaces that connect different wavelengths are significant in HDCNs. We construct a coherent orbital angular momentum (OAM) frequency bridge via difference frequency conversion in a nonlinear bulk crystal for HDCNs. Using a single resonant cavity, maximum quantum conversion efficiencies from visible to infrared are 36%, 15%, and 7.8% for topological charges of 0,1, and 2, respectively. The average fidelity obtained using quantum state tomography for the down-converted infrared OAM-state of topological charge 1 is 96.51%. We also prove that the OAM is conserved in this process by measuring visible and infrared interference patterns. This coherent OAM frequency-down conversion bridge represents a basis for an interface between two high-dimensional quantum systems operating with different spectra.

BIOFILTRATION OF VOLATILE POLLUTANTS: Fundamental Mechanisms for Improved Design, Long-term Operation, Prediction, and Implementation

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

Davison,Brian H.

2000-12-31

Biofiltration systems can be used for treatment of volatile organic compounds (VOCs); however, the systems are poorly understood and are normally operated as ''black boxes''. Common operational problems associated with biofilters include fouling, deactivation, and overgrowth, all of which make them ineffective for continuous, long-term use. The objective of this investigation was to develop generic methods for long-term stable operation, in particular by using selective limitation of supplemental nutrients while maintaining high activity. As part of this effort, we have provided a deeper fundamental understanding of the important biological and transport mechanisms in biodestruction of sparingly soluble VOCs and havemore » extended this approach and mathematical models to additional systems of high priority EM relevance--direct degradation and cometabolic degradation of priority pollutants such as BTEX and chlorinated organics. Innovative aspects of this project included development of a user-friendly two-dimensional predictive model/program for MS Windows 95/98/2000 to elucidate mass transfer and kinetic limitations in these systems, isolation of a unique microorganism capable of using sparingly soluble organic and chloroorganic VOCs as its sole carbon and energy source, and making long-term growth possible by successfully decoupling growth and degradation metabolisms in operating trickle bed bioreactors.« less

Steam stripping of the unsaturated zone of contaminated sub-soils: The effect of diffusion/dispersion in the start-up phase

NASA Astrophysics Data System (ADS)

Brouwers, H. J. H.; Gilding, B. H.

2006-02-01

The unsteady process of steam stripping of the unsaturated zone of soils contaminated with volatile organic compounds (VOCs) is addressed. A model is presented. It accounts for the effects of water and contaminants remaining in vapour phase, as well as diffusion and dispersion of contaminants in this phase. The model has two components. The first is a one-dimensional description of the propagation of a steam front in the start-up phase. This is based on Darcy's law and conservation laws of mass and energy. The second component describes the transport of volatile contaminants. Taking the view that non-equilibrium between liquid and vapour phases exists, it accounts for evaporation, transport, and condensation at the front. This leads to a moving-boundary problem. The moving-boundary problem is brought into a fixed domain by a suitable transformation of the governing partial differential equations, and solved numerically. For a broad range of the governing dimensionless numbers, such as the Henry, Merkel and Péclet numbers, computational results are discussed. A mathematical asymptotic analysis supports this discussion. The range of parameter values for which the model is valid is investigated. Diffusion and dispersion are shown to be of qualitative importance, but to have little quantitative effect in the start-up phase.

Volatility-resolved source apportionment of primary and secondary organic aerosol over Europe

NASA Astrophysics Data System (ADS)

Skyllakou, Ksakousti; Fountoukis, Christos; Charalampidis, Panagiotis; Pandis, Spyros N.

2017-10-01

A three-dimensional regional chemical transport model (Particulate Matter Comprehensive Air Quality Model with Extensions, PMCAMx) was applied over Europe combined with a source apportionment algorithm, the Particulate Source Apportionment Technology (PSAT), in order to quantify the sources which contribute to the primary and secondary organic aerosol (OA) during different seasons. The PSAT algorithm was first extended to allow the quantification of the sources of OA as a function of volatility. The most significant OA sources during May were biogenic, while during February residential wood combustion and during September wildfires dominated. The contributions of the various sources have strong spatial dependence. Wildfires were significant OA sources (38% of the OA) for Russia during September, but had a much lower impact (5%) in Scandinavia. The above results are in general consistent with the findings of the CARBOSOL project for selected sites in Europe. For remote sites such as Finokalia in Crete, more than 90% of the OA has undergone two or more generations of oxidation for all seasons. This highly processed oxidized OA is predicted to also dominate over much of Europe during the summer and fall. The first generation SOA is predicted to represent 20-30% of the OA in central and northern Europe during these photochemically active periods.

Communication: Practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N{sup 2/3}) storage

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

Pederson, Mark R., E-mail: mark.pederson@science.doe.gov

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N{sup 4}) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N{sup 2}) integrals. Here, it is shown that the storage can be further reduced to O(N{sup 2/3}) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulombmore » integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.« less

Communication: practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N(2/3)) storage.

PubMed

Pederson, Mark R

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N(4)) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N(2)) integrals. Here, it is shown that the storage can be further reduced to O(N(2/3)) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulomb integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.

Feature selection and recognition from nonspecific volatile profiles for discrimination of apple juices according to variety and geographical origin.

PubMed

Guo, Jing; Yue, Tianli; Yuan, Yahong

2012-10-01

Apple juice is a complex mixture of volatile and nonvolatile components. To develop discrimination models on the basis of the volatile composition for an efficient classification of apple juices according to apple variety and geographical origin, chromatography volatile profiles of 50 apple juice samples belonging to 6 varieties and from 5 counties of Shaanxi (China) were obtained by headspace solid-phase microextraction coupled with gas chromatography. The volatile profiles were processed as continuous and nonspecific signals through multivariate analysis techniques. Different preprocessing methods were applied to raw chromatographic data. The blind chemometric analysis of the preprocessed chromatographic profiles was carried out. Stepwise linear discriminant analysis (SLDA) revealed satisfactory discriminations of apple juices according to variety and geographical origin, provided respectively 100% and 89.8% success rate in terms of prediction ability. Finally, the discriminant volatile compounds selected by SLDA were identified by gas chromatography-mass spectrometry. The proposed strategy was able to verify the variety and geographical origin of apple juices involving only a reduced number of discriminate retention times selected by the stepwise procedure. This result encourages the similar procedures to be considered in quality control of apple juices. This work presented a method for an efficient discrimination of apple juices according to apple variety and geographical origin using HS-SPME-GC-MS together with chemometric tools. Discrimination models developed could help to achieve greater control over the quality of the juice and to detect possible adulteration of the product. © 2012 Institute of Food Technologists®

Review of methods for determination of ammonia volatilization in farmland

NASA Astrophysics Data System (ADS)

Yang, J.; Jiao, Y.; Yang, W. Z.; Gu, P.; Bai, S. G.; Liu, L. J.

2018-02-01

Ammonia is one of the most abundant alkaline trace gases in the atmosphere, which is one of the important factors affecting atmospheric quality. Excessive application of nitrogen fertilizer is the main source of global ammonia emissions, which not only exacerbate greenhouse gas emissions, but also leads to eutrophication of water bodies. In this paper, the basic principle, the operation process, the advantages and disadvantages, and the previous research results of the method are summarized in detail, including the enclosure method, the venting method, the continuous airflow enclosure method, the wind tunnel method and the micro-meteorological method. So as to provide a theoretical basis for selecting the appropriate method for determination of ammonia volatilization.

MODEL DEVELOPMENT AND TESTING FOR SEMI-VOLATILES (ATRAZINE)

EPA Science Inventory

The Community Multi-Scale Air Quality (CMAQ) model, air quality model within EPA's Models-3 system, can be adapted to simulate the fate of semi-volatile compounds that are emitted into the atmosphere. "Semi-volatile" refers to compounds that partition their mass between two ph...

Investigation of the magnetospheric convection influence on equatorial electrojet and electric field at the geomagnetic equator in quiet conditions on the basis of the GSM TIP

NASA Astrophysics Data System (ADS)

Klimenko, M. V.; Klimenko, V. V.; Bryukhanov, V. V.

Inclusion in the Global Self-consistent Model of the Thermosphere Ionosphere and Protonosphere GSM TIP developed in WD IZMIRAN of the new block of the electric field calculation allows to carry out the investigation of the equatorial ionosphere In this block the decision of the three-dimensional equation of the full current density conservation in the ionosphere of the Earth is realized by adduction it to the two-dimensional by integration on thickness of the current conductive layer along geomagnetic field lines which are expected equipotential In the given work are presented the calculation results on the basis of the model GSM TIP in which the composition and the temperature of neutral atmosphere computed on the basis of model MSIS The calculations were carried out for the quiet equinox conditions in the minimum of the solar activity The magnetosphere convection field calculated in the model by two ways paid in models - by setting of the field aligned currents of the first zone or potential difference across the polar caps Herewith in the first variant of calculations the currents of the first zone were selected so as got the potential difference through the polar caps was approximately such as assigned in the second variant There are considered two events - an absence of the screening by Alfven layer electric field that is to say the absence of the field aligned currents of the second zone and presence of such screening under given field aligned currents of the second zone All calculations were carried out with taking into account of

Local Context Finder (LCF) reveals multidimensional relationships among mRNA expression profiles of Arabidopsis responding to pathogen infection

PubMed Central

Katagiri, Fumiaki; Glazebrook, Jane

2003-01-01

A major task in computational analysis of mRNA expression profiles is definition of relationships among profiles on the basis of similarities among them. This is generally achieved by pattern recognition in the distribution of data points representing each profile in a high-dimensional space. Some drawbacks of commonly used pattern recognition algorithms stem from their use of a globally linear space and/or limited degrees of freedom. A pattern recognition method called Local Context Finder (LCF) is described here. LCF uses nonlinear dimensionality reduction for pattern recognition. Then it builds a network of profiles based on the nonlinear dimensionality reduction results. LCF was used to analyze mRNA expression profiles of the plant host Arabidopsis interacting with the bacterial pathogen Pseudomonas syringae. In one case, LCF revealed two dimensions essential to explain the effects of the NahG transgene and the ndr1 mutation on resistant and susceptible responses. In another case, plant mutants deficient in responses to pathogen infection were classified on the basis of LCF analysis of their profiles. The classification by LCF was consistent with the results of biological characterization of the mutants. Thus, LCF is a powerful method for extracting information from expression profile data. PMID:12960373

Online dimensionality reduction using competitive learning and Radial Basis Function network.

PubMed

Tomenko, Vladimir

2011-06-01

The general purpose dimensionality reduction method should preserve data interrelations at all scales. Additional desired features include online projection of new data, processing nonlinearly embedded manifolds and large amounts of data. The proposed method, called RBF-NDR, combines these features. RBF-NDR is comprised of two modules. The first module learns manifolds by utilizing modified topology representing networks and geodesic distance in data space and approximates sampled or streaming data with a finite set of reference patterns, thus achieving scalability. Using input from the first module, the dimensionality reduction module constructs mappings between observation and target spaces. Introduction of specific loss function and synthesis of the training algorithm for Radial Basis Function network results in global preservation of data structures and online processing of new patterns. The RBF-NDR was applied for feature extraction and visualization and compared with Principal Component Analysis (PCA), neural network for Sammon's projection (SAMANN) and Isomap. With respect to feature extraction, the method outperformed PCA and yielded increased performance of the model describing wastewater treatment process. As for visualization, RBF-NDR produced superior results compared to PCA and SAMANN and matched Isomap. For the Topic Detection and Tracking corpus, the method successfully separated semantically different topics. Copyright © 2011 Elsevier Ltd. All rights reserved.

Paired Pulse Basis Functions for the Method of Moments EFIE Solution of Electromagnetic Problems Involving Arbitrarily-shaped, Three-dimensional Dielectric Scatterers

NASA Technical Reports Server (NTRS)

MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.

2007-01-01

A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.

Influence of host origin on host choice of the parasitoid Dinarmus basalis : Does upbringing influence choices later in life?

PubMed Central

Sankara, F.; Dabiré, L. C. B.; Ilboudo, Z.; Dugravot, S.; Cortesero, A. M.; Sanon, A.

2014-01-01

Abstract The aim of this study was to investigate the influence of volatile compounds from four secondary host plants on the ability of Dinarmus basalis Rond. (Hymenoptera: Pteromalidae) to locate, recognize, and parasitize its host, 4 th instar larvae or pupae of Callosobruchus maculatus F. (Coleoptera: Chrysomelidae). To examine this, strains of D. basalis were transferred from cow-pea seeds ( Vigna unguiculata (L.) Walp. (Fabales: Fabaceae)) to pigeon pea ( Cajanus cajan (L.) Millsp.) and two varieties of Bambara groundnut ( Vigna subterranea (L.) Verdc.) seeds. The ability of D. basalis females to recognize the volatile compounds emanating from their complex host plant was tested by using a Y-tube olfactometer and a three-dimensional device. The results suggest that when females have a choice between pure air and the air emanating from their com-plex host of origin, they are attracted to the air tainted by the volatile compounds they have become accustomed to. They spent significantly more time ( p < 0.0001) in the branch of the tube leading to the odorous air than in the tube leading to the pure air. When females from pigeon pea seed hosts were offered a choice between cowpea and pigeon pea seeds, all containing 4 th instar larvae, the familiar odor of pigeon pea seeds were most attractive. When females from Bambara groundnut (white and striped) seed hosts were offered a choice between cowpea and pigeon pea seeds, all containing 4 th instar larvae, they were significantly attracted to the odour of cowpea seeds. In the three-dimensional system, the females from the four strains did not appear to have any preference for a given type of seed containing 4 th instar larvae or pupae. The parasitism rate remained high on all four types of seeds used. These results show that the use of D. basalis as a biological control agent is possible in host changing situations where C. maculatus starts to attack other legumes. The results of this study also provide information supporting the behavioral plas-ticity of D. basalis . Understanding the mechanisms involved in the adaptive phenomena of biological control agents is discussed in the context of the development of adequate methods of pest control. PMID:25373173

Influence of host origin on host choice of the parasitoid Dinarmus basalis: does upbringing influence choices later in life?

PubMed

Sankara, F; Dabiré, L C B; Ilboudo, Z; Dugravot, S; Cortesero, A M; Sanon, A

2014-02-26

The aim of this study was to investigate the influence of volatile compounds from four secondary host plants on the ability of Dinarmus basalis Rond. (Hymenoptera: Pteromalidae) to locate, recognize, and parasitize its host, 4(th)instar larvae or pupae of Callosobruchus maculatus F. (Coleoptera: Chrysomelidae). To examine this, strains of D. basalis were transferred from cow-pea seeds (Vigna unguiculata (L.) Walp. (Fabales: Fabaceae)) to pigeon pea (Cajanus cajan (L.) Millsp.) and two varieties of Bambara groundnut (Vigna subterranea (L.) Verdc.) seeds. The ability of D. basalis females to recognize the volatile compounds emanating from their complex host plant was tested by using a Y-tube olfactometer and a three-dimensional device. The results suggest that when females have a choice between pure air and the air emanating from their complex host of origin, they are attracted to the air tainted by the volatile compounds they have become accustomed to. They spent significantly more time (p < 0.0001) in the branch of the tube leading to the odorous air than in the tube leading to the pure air. When females from pigeon pea seed hosts were offered a choice between cowpea and pigeon pea seeds, all containing 4(th)instar larvae, the familiar odor of pigeon pea seeds were most attractive. When females from Bambara groundnut (white and striped) seed hosts were offered a choice between cowpea and pigeon pea seeds, all containing 4(th)instar larvae, they were significantly attracted to the odour of cowpea seeds. In the three-dimensional system, the females from the four strains did not appear to have any preference for a given type of seed containing 4(th)instar larvae or pupae. The parasitism rate remained high on all four types of seeds used. These results show that the use of D. basalis as a biological control agent is possible in host changing situations where C. maculatus starts to attack other legumes. The results of this study also provide information supporting the behavioral plasticity of D. basalis. Understanding the mechanisms involved in the adaptive phenomena of biological control agents is discussed in the context of the development of adequate methods of pest control. This is an open access paper. We use the Creative Commons Attribution 3.0 license that permits unrestricted use, provided that the paper is properly attributed.

Methodology to estimate particulate matter emissions from certified commercial aircraft engines.

PubMed

Wayson, Roger L; Fleming, Gregg G; Lovinelli, Ralph

2009-01-01

Today, about one-fourth of U.S. commercial service airports, including 41 of the busiest 50, are either in nonattainment or maintenance areas per the National Ambient Air Quality Standards. U.S. aviation activity is forecasted to triple by 2025, while at the same time, the U.S. Environmental Protection Agency (EPA) is evaluating stricter particulate matter (PM) standards on the basis of documented human health and welfare impacts. Stricter federal standards are expected to impede capacity and limit aviation growth if regulatory mandated emission reductions occur as for other non-aviation sources (i.e., automobiles, power plants, etc.). In addition, strong interest exists as to the role aviation emissions play in air quality and climate change issues. These reasons underpin the need to quantify and understand PM emissions from certified commercial aircraft engines, which has led to the need for a methodology to predict these emissions. Standardized sampling techniques to measure volatile and nonvolatile PM emissions from aircraft engines do not exist. As such, a first-order approximation (FOA) was derived to fill this need based on available information. FOA1.0 only allowed prediction of nonvolatile PM. FOA2.0 was a change to include volatile PM emissions on the basis of the ratio of nonvolatile to volatile emissions. Recent collaborative efforts by industry (manufacturers and airlines), research establishments, and regulators have begun to provide further insight into the estimation of the PM emissions. The resultant PM measurement datasets are being analyzed to refine sampling techniques and progress towards standardized PM measurements. These preliminary measurement datasets also support the continued refinement of the FOA methodology. FOA3.0 disaggregated the prediction techniques to allow for independent prediction of nonvolatile and volatile emissions on a more theoretical basis. The Committee for Aviation Environmental Protection of the International Civil Aviation Organization endorsed the use of FOA3.0 in February 2007. Further commitment was made to improve the FOA as new data become available, until such time the methodology is rendered obsolete by a fully validated database of PM emission indices for today's certified commercial fleet. This paper discusses related assumptions and derived equations for the FOA3.0 methodology used worldwide to estimate PM emissions from certified commercial aircraft engines within the vicinity of airports.

Development of a novel optical remote sensing monitor for fenceline monitoring and enhancement of existing leak detection and repair programs

EPA Science Inventory

Manual leak detection and repair (LDAR) programs are currently implemented on a regular basis at refinery sites to limit fugitive emissions of volatile organic compounds (VOC). However, LDAR surveys can be time-consuming and are not always cost-effective. Fence line monitoring of...

The Difficult Parent: An Educator's Guide to Handling Aggressive Behavior

ERIC Educational Resources Information Center

Jaksec, Charles M., III

2004-01-01

Parents are a vital source of support for our schools. School personnel interact with parents on a daily basis and fortunately, most of these interactions are pleasant and helpful, keeping students' needs in mind. Instances of parental aggression, however, do occur. Volatile or confrontational parents present many unique challenges for educators…

75 FR 57390 - Approval and Promulgation of Implementation Plans; Alabama: Volatile Organic Compounds

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-21

... Tropospheric ozone, commonly known as smog, occurs when VOCs and nitrogen oxides (NO X ) react in the... contribution to tropospheric ozone formation. EPA is approving revisions to the Alabama SIP submitted on March... the VOC definition on the basis that these compounds make a negligible contribution to tropospheric...

Tests Of Protective Coats For Carbon Steel

NASA Technical Reports Server (NTRS)

Macdowell, Louis G., III

1995-01-01

Report describes laboratory and field tests of candidate paints (primers, tie coats, and topcoats) for use in protecting carbon-steel structures against corrosion in seaside environment at Kennedy Space Center. Coating materials selected because of utility in preventing corrosion, also on basis of legal requirements, imposed in several urban areas, for reduction of volatile organic contents.

Mars atmospheric D/H - Consistent with polar volatile theory?

NASA Technical Reports Server (NTRS)

Jakosky, Bruce M.

1990-01-01

Current theories on the Martian water history are discussed on the basis of data for the D/H ratio in the Martian atmosphere (which was found to be enhanced by a factor of 6 + or - relative to the value on earth). In particular, the calculations of Yung et al. (1988), on the basis of their photochemical model, are found to be inconsistent with current theories for the evolution of the polar deposits on Mars. While the photochemical model predicts that about 95 percent of the Martian water has escaped over geologic time and the nonatmospheric reservoir is now only 02 m thick, the polar volatile theory suggest that polar deposits contain the equivalent of tens of meters of water, requiring a more rapid escape of H and D to space than predicted by the photochemical model to match the observed D/H ratio. The paper examines the behavior of the polar caps and the atmospheric water vapor over geologic time and the loss of H and D to space. It is concluded that, at present, it is premature to accept a specific history for water on Mars.

Superaging and Subaging Phenomena in a Nonequilibrium Critical Behavior of the Structurally Disordered Two-Dimensional XY Model

NASA Astrophysics Data System (ADS)

Prudnikov, V. V.; Prudnikov, P. V.; Popov, I. S.

2018-03-01

A Monte Carlo numerical simulation of the specific features of nonequilibrium critical behavior is carried out for the two-dimensional structurally disordered XY model during its evolution from a low-temperature initial state. On the basis of the analysis of the two-time dependence of autocorrelation functions and dynamic susceptibility for systems with spin concentrations of p = 1.0, 0.9, and 0.6, aging phenomena characterized by a slowing down of the relaxation system with increasing waiting time and the violation of the fluctuation-dissipation theorem (FDT) are revealed. The values of the universal limiting fluctuation-dissipation ratio (FDR) are obtained for the systems considered. As a result of the analysis of the two-time scaling dependence for spin-spin and connected spin autocorrelation functions, it is found that structural defects lead to subaging phenomena in the behavior of the spin-spin autocorrelation function and superaging phenomena in the behavior of the connected spin autocorrelation function.

Arbitrage and Volatility in Chinese Stock's Markets

NASA Astrophysics Data System (ADS)

Lu, Shu Quan; Ito, Takao; Zhang, Jianbo

From the point of view of no-arbitrage pricing, what matters is how much volatility the stock has, for volatility measures the amount of profit that can be made from shorting stocks and purchasing options. With the short-sales constraints or in the absence of options, however, high volatility is likely to mean arbitrage from stock market. As emerging stock markets for China, investors are increasingly concerned about volatilities of Chinese two stock markets. We estimate volatility's models for Chinese stock markets' indexes using Markov chain Monte Carlo (MCMC) method and GARCH. We find that estimated values of volatility parameters are very high for all data frequencies. It suggests that stock returns are extremely volatile even at long term intervals in Chinese markets. Furthermore, this result could be considered that there seems to be arbitrage opportunities in Chinese stock markets.

PAH volatilization following application of coal-tar-based pavement sealant

USGS Publications Warehouse

Van Metre, Peter C.; Majewski, Michael S.; Mahler, Barbara J.; Foreman, William T.; Braun, Christopher L.; Wilson, Jennifer T.; Burbank, Teresa L.

2012-01-01

Coal-tar-based pavement sealants, a major source of PAHs to urban water bodies, have recently been identified as a source of volatile PAHs to the atmosphere. We tracked the volatilization of PAHs for 1 year after application of a coal-tar-based pavement sealant by measuring gas-phase PAH concentrations above the pavement surface and solid-phase PAH concentrations in sealant scraped from the surface. Gas-phase concentrations at two heights (0.03 and 1.28 m) and wind speed were used to estimate volatilization flux. The sum of the concentrations of eight frequently detected PAHs (ΣPAH8) in the 0.03-m sample 1.6 h after application (297,000 ng m-3) was about 5000 times greater than that previously reported for the same height above unsealed parking lots (66 ng m-3). Flux at 1.6 h after application was estimated at 45,000 μg m-2 h-1 and decreased rapidly during the 45 days after application to 160 μg m-2 h-1. Loss of PAHs from the adhered sealant also was rapid, with about a 50% decrease in solid-phase ΣPAH8 concentration over the 45 days after application. There was general agreement, given the uncertainties, in the estimated mass of ΣPAH8 lost to the atmosphere on the basis of air sampling (2–3 g m-2) and adhered sealant sampling (6 g m-2) during the first 16 days after application, translating to a loss to the atmosphere of one-quarter to one-half of the PAHs in the sealcoat product. Combining the estimated mass of ΣPAH8 released to the atmosphere with a national-use estimate of coal-tar-based sealant suggests that PAH emissions from new coal-tar-based sealcoat applications each year (~1000 Mg) are larger than annual vehicle emissions of PAHs for the United States.

Landau damping of quantum plasmons in metal nanostructures

DOE PAGES

Li, Xiaoguang; Xiao, Di; Zhang, Zhenyu

2013-02-06

Using the random phase approximation with both real space and discrete electron–hole (e–h) pair basis sets, we study the broadening of surface plasmons in metal structures of reduced dimensionality, where Landau damping is the dominant dissipation channel and presents an intrinsic limitation to plasmonics technology. We show that for every prototypical class of systems considered, including zero-dimensional nanoshells, one-dimensional coaxial nanotubes and two-dimensional ultrathin films, Landau damping can be drastically tuned due to energy quantization of the individual electron levels and e–h pairs. Both the generic trend and oscillatory nature of the tunability are in stark contrast with the expectationsmore » of the semiclassical surface scattering picture. Our approach also allows to vividly depict the evolution of the plasmons from the quantum to the classical regime, and to elucidate the underlying physical origin of hybridization broadening of nearly degenerate plasmon modes. Lastly, these findings may serve as a guide in the future design of plasmonic nanostructures of desirable functionalities.« less

A non-volatile organic electrochemical device as a low-voltage artificial synapse for neuromorphic computing

NASA Astrophysics Data System (ADS)

van de Burgt, Yoeri; Lubberman, Ewout; Fuller, Elliot J.; Keene, Scott T.; Faria, Grégorio C.; Agarwal, Sapan; Marinella, Matthew J.; Alec Talin, A.; Salleo, Alberto

2017-04-01

The brain is capable of massively parallel information processing while consuming only ~1-100 fJ per synaptic event. Inspired by the efficiency of the brain, CMOS-based neural architectures and memristors are being developed for pattern recognition and machine learning. However, the volatility, design complexity and high supply voltages for CMOS architectures, and the stochastic and energy-costly switching of memristors complicate the path to achieve the interconnectivity, information density, and energy efficiency of the brain using either approach. Here we describe an electrochemical neuromorphic organic device (ENODe) operating with a fundamentally different mechanism from existing memristors. ENODe switches at low voltage and energy (<10 pJ for 103 μm2 devices), displays >500 distinct, non-volatile conductance states within a ~1 V range, and achieves high classification accuracy when implemented in neural network simulations. Plastic ENODes are also fabricated on flexible substrates enabling the integration of neuromorphic functionality in stretchable electronic systems. Mechanical flexibility makes ENODes compatible with three-dimensional architectures, opening a path towards extreme interconnectivity comparable to the human brain.

A non-volatile organic electrochemical device as a low-voltage artificial synapse for neuromorphic computing.

PubMed

van de Burgt, Yoeri; Lubberman, Ewout; Fuller, Elliot J; Keene, Scott T; Faria, Grégorio C; Agarwal, Sapan; Marinella, Matthew J; Alec Talin, A; Salleo, Alberto

2017-04-01

The brain is capable of massively parallel information processing while consuming only ∼1-100 fJ per synaptic event. Inspired by the efficiency of the brain, CMOS-based neural architectures and memristors are being developed for pattern recognition and machine learning. However, the volatility, design complexity and high supply voltages for CMOS architectures, and the stochastic and energy-costly switching of memristors complicate the path to achieve the interconnectivity, information density, and energy efficiency of the brain using either approach. Here we describe an electrochemical neuromorphic organic device (ENODe) operating with a fundamentally different mechanism from existing memristors. ENODe switches at low voltage and energy (<10 pJ for 10 3  μm 2 devices), displays >500 distinct, non-volatile conductance states within a ∼1 V range, and achieves high classification accuracy when implemented in neural network simulations. Plastic ENODes are also fabricated on flexible substrates enabling the integration of neuromorphic functionality in stretchable electronic systems. Mechanical flexibility makes ENODes compatible with three-dimensional architectures, opening a path towards extreme interconnectivity comparable to the human brain.

Limited effect of anthropogenic nitrogen oxides on Secondary Organic Aerosol formation

DOE PAGES

Zheng, Y.; Unger, N.; Hodzic, A.; ...

2015-08-28

Globally, secondary organic aerosol (SOA) is mostly formed from emissions of biogenic volatile organic compounds (VOCs) by vegetation, but can be modified by human activities as demonstrated in recent research. Specifically, nitrogen oxides (NO x = NO + NO 2) have been shown to play a critical role in the chemical formation of low volatility compounds. We have updated the SOA scheme in the global NCAR Community Atmospheric Model version 4 with chemistry (CAM4-chem) by implementing a 4-product Volatility Basis Set (VBS) scheme, including NO x-dependent SOA yields and aging parameterizations. The predicted organic aerosol amounts capture both the magnitudemore » and distribution of US surface annual mean measurements from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network by 50 %, and the simulated vertical profiles are within a factor of two compared to Aerosol Mass Spectrometer (AMS) measurements from 13 aircraft-based field campaigns across different region and seasons. We then perform sensitivity experiments to examine how the SOA loading responds to a 50 % reduction in anthropogenic nitric oxide (NO) emissions in different regions. We find limited SOA reductions of 0.9 to 5.6, 6.4 to 12.0 and 0.9 to 2.8 % for global, the southeast US and the Amazon NO x perturbations, respectively. The fact that SOA formation is almost unaffected by changes in NO x can be largely attributed to buffering in chemical pathways (low- and high-NO x pathways, O 3 versus NO 3-initiated oxidation) and to offsetting tendencies in the biogenic versus anthropogenic SOA responses.« less

Molecular phylogeny of the hominoid primates as indicated by two-dimensional protein electrophoresis

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

Goldman, D.; Giri, P.R.; O'Brien, J.O.

1987-05-01

A molecular phylogeny for the hominoid primates was constructed by using genetic distances from a survey of 383 radiolabeled fibroblast polypeptides resolved by two-dimensional electrophoresis (2DE). An internally consistent matrix of Nei genetic distances was generated on the basis of variants in electrophoretic position. The derived phylogenetic tree indicated a branching sequence, from oldest to most recent, of cercopithecoids (Macaca fascicularis), gibbon-siamang, orangutan, gorilla, and human-chimpanzee. A cladistic analysis of 240 electrophoretic characters that varied between ape species produced an identical tree. Genetic distance measures obtained by 2DE are largely consistent with those generated by other molecular procedures. In addition,more » the 2DE data set appears to resolve the human-chimpanzee-gorilla trichotomy in favor of a more recent association of chimpanzees and humans.« less

Theoretical study in carrier mobility of two-dimensional materials

NASA Astrophysics Data System (ADS)

Huang, R.

2017-09-01

Recently, the theoretical prediction on carrier mobility of two-dimensional (2D) materials has aroused wild attention. At present, there is still a large gap between the theoretical prediction and the device performance of the semiconductor based on the 2D layer semiconductor materials such as graphene. It is particularly important to theoretically design and screen the high-performance 2D layered semiconductor materials with suitable band gap and high carrier mobility. This paper introduces some 2D materials with fine properties and deduces the formula for mobility of the isotropic materials on the basis of the deformation potential theory and Fermic golden rule under acoustic phonon scattering conditions, and then discusses the carrier mobility of anisotropic materials with Dirac cones. We point out the misconceptions in the existing literature and discuss the correct ones.

The impact of an urban-industrial region on the magnitude and variability of persistent organic pollutant deposition to Lake Michigan.

PubMed

Hornbuckle, Keri C; Green, Mark L

2003-09-01

A predictive model for gas-phase PCBs and trans-nonachlor over Lake Michigan has been constructed and the resulting data examined for trends. In this paper, we describe the model results to show how the magnitude and variability of a plume of contaminants from the Chicago area contributes to a highly variable region of net contaminant deposition over the entire lake. For the whole lake, gross annual deposition of PCBs is approximately 3200 kg, although the net annual gas exchange is not significantly different from zero. The data-driven model illustrates that on a daily basis, the net exchange of persistent organic pollutants (POPs) can change from net deposition to net volatilization depending on the area of plume impact. These findings suggest that i) control of urban areas can accelerate the rate of volatilization from lakes; and ii) release of POPs from urban areas is largely a result of volatilization processes.

Production of Substitute Natural Gas from Coal

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

Andrew Lucero

2009-01-31

The goal of this research program was to develop and demonstrate a novel gasification technology to produce substitute natural gas (SNG) from coal. The technology relies on a continuous sequential processing method that differs substantially from the historic methanation or hydro-gasification processing technologies. The thermo-chemistry relies on all the same reactions, but the processing sequences are different. The proposed concept is appropriate for western sub-bituminous coals, which tend to be composed of about half fixed carbon and about half volatile matter (dry ash-free basis). In the most general terms the process requires four steps (1) separating the fixed carbon frommore » the volatile matter (pyrolysis); (2) converting the volatile fraction into syngas (reforming); (3) reacting the syngas with heated carbon to make methane-rich fuel gas (methanation and hydro-gasification); and (4) generating process heat by combusting residual char (combustion). A key feature of this technology is that no oxygen plant is needed for char combustion.« less

Key volatile aroma compounds of three black velvet tamarind (Dialium) fruit species.

PubMed

Lasekan, Ola; See, Ng Siew

2015-02-01

Nineteen odour-active compounds were quantified in three black velvet tamarind fruit species. Calculation of the odour activity values (OAVs) of the odorants showed that differences in odour profiles of the tamarinds were mainly caused by linalool, limonene, 4-hydroxy-2,5-dimethyl-3(2H)-furanone, nonanal, and (Z)-3-hexenal. On the basis of their high OAVs, cis-linalool oxide (furanoid), geranyl acetone, and cinnamyl acetate were identified as other potent odorants in the three tamarinds. Sensory studies revealed very distinct aroma profiles, which are characteristic of these types of fruits. While the Dialiumguineense elicited floral, flowery, caramel-like notes, the other two species were dominated by leaf-like, caramel, and green notes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Polarization variations in installed fibers and their influence on quantum key distribution systems.

PubMed

Ding, Yu-Yang; Chen, Hua; Wang, Shuang; He, De-Yong; Yin, Zhen-Qiang; Chen, Wei; Zhou, Zheng; Guo, Guang-Can; Han, Zheng-Fu

2017-10-30

Polarization variations in the installed fibers are complex and volatile, and would severely affect the performances of polarization-sensitive quantum key distribution (QKD) systems. Based on the recorded data about polarization variations of different installed fibers, we establish an analytical methodology to quantitatively evaluate the influence of polarization variations on polarization-sensitive QKD systems. Using the increased quantum bit error rate induced by polarization variations as a key criteria, we propose two parameters - polarization drift time and required tracking speed - to characterize polarization variations. For field buried and aerial fibers with different length, we quantitatively evaluate the influence of polarization variations, and also provide requirements and suggestions for polarization basis alignment modules of QKD systems deployed in different kind of fibers.

Organosilicon Polymers as Precursors for Silicon Containing Ceramics: Recent Developments.

DTIC Science & Technology

1987-08-14

the polymer to a ceramic material, hopefully of the desired composition . In the latter alternative, shrinkage during pyrolysis should not be great...carbon-carbon composite materials. In order to have a useful preceramic polymer . considerations of structure and reactivitv are of paramount importance...process so that on pyrolysis non-volatile, three-dimensional networks (which lead to maximum weight retention) are formed. Thus. preceramic polymer

Elucidating the Chemical Complexity of Organic Aerosol Constituents Measured During the Southeastern Oxidant and Aerosol Study (SOAS)

NASA Astrophysics Data System (ADS)

Yee, L.; Isaacman, G. A.; Spielman, S. R.; Worton, D. R.; Zhang, H.; Kreisberg, N. M.; Wilson, K. R.; Hering, S. V.; Goldstein, A. H.

2013-12-01

Thousands of volatile organic compounds are uniquely created in the atmosphere, many of which undergo chemical transformations that result in more highly-oxidized and often lower vapor pressure species. These species can contribute to secondary organic aerosol, a complex mixture of organic compounds that is still not chemically well-resolved. Organic aerosol collected on filters taken during the Southeastern Oxidant and Aerosol Study (SOAS) constitute hundreds of unique chemical compounds. Some of these include known anthropogenic and biogenic tracers characterized using standardized analytical techniques (e.g. GC-MS, UPLC, LC-MS), but the majority of the chemical diversity has yet to be explored. By employing analytical techniques involving sample derivatization and comprehensive two-dimensional gas chromatography (GC x GC) with high-resolution-time-of-flight mass spectrometry (HR-ToF-MS), we elucidate the chemical complexity of the organic aerosol matrix along the volatility and polarity grids. Further, by utilizing both electron impact (EI) and novel soft vacuum ultraviolet (VUV) ionization mass spectrometry, a greater fraction of the organic mass is fully speciated. The GC x GC-HR-ToF-MS with EI/VUV technique efficiently provides an unprecedented level of speciation for complex ambient samples. We present an extensive chemical characterization and quantification of organic species that goes beyond typical atmospheric tracers in the SOAS samples. We further demonstrate that complex organic mixtures can be chemically deconvoluted by elucidation of chemical formulae, volatility, functionality, and polarity. These parameters provide insight into the sources (anthropogenic vs. biogenic), chemical processes (oxidation pathways), and environmental factors (temperature, humidity), controlling organic aerosol growth in the Southeastern United States.

Two-dimensional grid-free compressive beamforming.

PubMed

Yang, Yang; Chu, Zhigang; Xu, Zhongming; Ping, Guoli

2017-08-01

Compressive beamforming realizes the direction-of-arrival (DOA) estimation and strength quantification of acoustic sources by solving an underdetermined system of equations relating microphone pressures to a source distribution via compressive sensing. The conventional method assumes DOAs of sources to lie on a grid. Its performance degrades due to basis mismatch when the assumption is not satisfied. To overcome this limitation for the measurement with plane microphone arrays, a two-dimensional grid-free compressive beamforming is developed. First, a continuum based atomic norm minimization is defined to denoise the measured pressure and thus obtain the pressure from sources. Next, a positive semidefinite programming is formulated to approximate the atomic norm minimization. Subsequently, a reasonably fast algorithm based on alternating direction method of multipliers is presented to solve the positive semidefinite programming. Finally, the matrix enhancement and matrix pencil method is introduced to process the obtained pressure and reconstruct the source distribution. Both simulations and experiments demonstrate that under certain conditions, the grid-free compressive beamforming can provide high-resolution and low-contamination imaging, allowing accurate and fast estimation of two-dimensional DOAs and quantification of source strengths, even with non-uniform arrays and noisy measurements.

Sulfur volatiles from Allium spp. affect Asian citrus psyllid, Diaphorina citri Kuwayama (Hemiptera: Psyllidae), response to citrus volatiles.

PubMed

Mann, R S; Rouseff, R L; Smoot, J M; Castle, W S; Stelinski, L L

2011-02-01

The Asian citrus psyllid, Diaphorina citri Kuwayama, vectors Candidatus Liberibacter asiaticus (Las) and Candidatus Liberibacter americanus (Lam), the presumed causal agents of huanglongbing. D. citri generally rely on olfaction and vision for detection of host cues. Plant volatiles from Allium spp. (Alliaceae) are known to repel several arthropod species. We examined the effect of garlic chive (A. tuberosum Rottl.) and wild onion (A. canadense L.) volatiles on D. citri behaviour in a two-port divided T-olfactometer. Citrus leaf volatiles attracted significantly more D. citri adults than clean air. Volatiles from crushed garlic chive leaves, garlic chive essential oil, garlic chive plants, wild onion plants and crushed wild onion leaves all repelled D. citri adults when compared with clean air, with the first two being significantly more repellent than the others. However, when tested with citrus volatiles, only crushed garlic chive leaves and garlic chive essential oil were repellent, and crushed wild onions leaves were not. Analysis of the headspace components of crushed garlic chive leaves and garlic chive essential oil by gas chromatography-mass spectrometry revealed that monosulfides, disulfides and trisulfides were the primary sulfur volatiles present. In general, trisulfides (dimethyl trisulfide) inhibited the response of D. citri to citrus volatiles more than disulfides (dimethyl disulfide, allyl methyl disulfide, allyl disulfide). Monosulfides did not affect the behaviour of D. citri adults. A blend of dimethyl trisulfide and dimethyl disulfide in 1:1 ratio showed an additive effect on inhibition of D. citri response to citrus volatiles. The plant volatiles from Allium spp. did not affect the behaviour of the D. citri ecto-parasitoid Tamarixia radiata (Waterston). Thus, Allium spp. or the tri- and di-sulphides could be integrated into management programmes for D. citri without affecting natural enemies.

Marine and terrestrial sources of reactive volatile organic compounds and their impact on the tropospheric ozone chemistry of the earth

NASA Astrophysics Data System (ADS)

Riemer, Daniel David

Two areas integral to the global cycle of tropospheric ozone were studied. The first segment of this investigation involved the study of marine ecosystems to define the sources of nonmethane hydrocarbons (NMHCs) in the surface ocean. This included laboratory and field investigations conducted to determine the function and importance of dissolved organic matter (DOM) in the abiotic photochemical production of nonmethane hydrocarbons (NMHCs) in surface seawater. Concurrently, phytoplankton were investigated as a biogenic source of NMHCs in the surface ocean. Low molecular weight alkenes, compounds observed in the greatest quantities in the surface ocean, are formed almost exclusively as a result of DOM-mediated photochemistry. Isoprene was found to be produced by all phytoplankton species investigated. The primary sink for NMHCs found in surface seawater was gas exchange. The second segment of this study focused on the prevalence of NMHCs and oxygenated volatile organic compounds (OVOCs) in the rural southeastern United States. To characterize the importance of NMHCs and OVOCs to the process of atmospheric reactivity and tropospheric ozone chemistry, mixing ratios for a number of NMHCs and OVOCs were determined. Isoprene and its primary oxidation products, methacrolein and methyl vinyl ketone, were observed to be the dominant hydroxyl radical (OH) sink in the rural atmosphere. Certain OVOCs, namely methanol, acetone and acetaldehyde-although not as important on a reactivity basis-were the most prevalent in terms of mass. Methanol was the dominant OVOC measured in the rural atmosphere and serves as an important source of formaldehyde in the rural atmosphere. On the basis of the mixing ratio patterns exhibited by many of the OVOCs present in the rural atmosphere, considerable biogenic sources are likely.

Enhancing antioxidant activity of sesamol at frying temperature by addition of additives through reducing volatility

USDA-ARS?s Scientific Manuscript database

Additives were evaluated to investigate their effects on volatility of sesamol at frying temperature with the hypothesis that the interaction between an additive and sesamol would reduce sesamol volatility. Twenty-two additive:sesamol combinations were examined by thermogravimetric analysis (TGA) un...

Detection of algorithmic trading

NASA Astrophysics Data System (ADS)

Bogoev, Dimitar; Karam, Arzé

2017-10-01

We develop a new approach to reflect the behavior of algorithmic traders. Specifically, we provide an analytical and tractable way to infer patterns of quote volatility and price momentum consistent with different types of strategies employed by algorithmic traders, and we propose two ratios to quantify these patterns. Quote volatility ratio is based on the rate of oscillation of the best ask and best bid quotes over an extremely short period of time; whereas price momentum ratio is based on identifying patterns of rapid upward or downward movement in prices. The two ratios are evaluated across several asset classes. We further run a two-stage Artificial Neural Network experiment on the quote volatility ratio; the first stage is used to detect the quote volatility patterns resulting from algorithmic activity, while the second is used to validate the quality of signal detection provided by our measure.

Photoinduced High-Frequency Charge Oscillations in Dimerized Systems

NASA Astrophysics Data System (ADS)

Yonemitsu, Kenji

2018-04-01

Photoinduced charge dynamics in dimerized systems is studied on the basis of the exact diagonalization method and the time-dependent Schrödinger equation for a one-dimensional spinless-fermion model at half filling and a two-dimensional model for κ-(bis[ethylenedithio]tetrathiafulvalene)2X [κ-(BEDT-TTF)2X] at three-quarter filling. After the application of a one-cycle pulse of a specifically polarized electric field, the charge densities at half of the sites of the system oscillate in the same phase and those at the other half oscillate in the opposite phase. For weak fields, the Fourier transform of the time profile of the charge density at any site after photoexcitation has peaks for finite-sized systems that correspond to those of the steady-state optical conductivity spectrum. For strong fields, these peaks are suppressed and a new peak appears on the high-energy side, that is, the charge densities mainly oscillate with a single frequency, although the oscillation is eventually damped. In the two-dimensional case without intersite repulsion and in the one-dimensional case, this frequency corresponds to charge-transfer processes by which all the bonds connecting the two classes of sites are exploited. Thus, this oscillation behaves as an electronic breathing mode. The relevance of the new peak to a recently found reflectivity peak in κ-(BEDT-TTF)2X after photoexcitation is discussed.

Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy

NASA Astrophysics Data System (ADS)

Beerwerth, J.; Storek, M.; Greim, D.; Lueg, J.; Siegel, R.; Cetinkaya, B.; Hiller, W.; Zimmermann, H.; Senker, J.; Böhmer, R.

2018-03-01

Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.

Food price volatility

PubMed Central

Gilbert, C. L.; Morgan, C. W.

2010-01-01

The high food prices experienced over recent years have led to the widespread view that food price volatility has increased. However, volatility has generally been lower over the two most recent decades than previously. Variability over the most recent period has been high but, with the important exception of rice, not out of line with historical experience. There is weak evidence that grains price volatility more generally may be increasing but it is too early to say. PMID:20713400

Sensitivity of Aerosol Mass and Microphysics to Treatments of Condensational Growth of Secondary Organic Compounds in a Regional Model

NASA Astrophysics Data System (ADS)

Topping, D. O.; Lowe, D.; McFiggans, G.; Zaveri, R. A.

2016-12-01

Gas to particle partitioning of atmospheric compounds occurs through disequilibrium mass transfer rather than through instantaneous equilibrium. However, it is common to treat only the inorganic compounds as partitioning dynamically whilst organic compounds, represented by the Volatility Basis Set (VBS), are partitioned instantaneously. In this study we implement a more realistic dynamic partitioning of organic compounds in a regional framework and assess impact on aerosol mass and microphysics. It is also common to assume condensed phase water is only associated with inorganic components. We thus also assess sensitivity to assuming all organics are hygroscopic according to their prescribed molecular weight.For this study we use WRF-Chem v3.4.1, focusing on anthropogenic dominated North-Western Europe. Gas-phase chemistry is represented using CBM-Z whilst aerosol dynamics are simulated using the 8-section MOSAIC scheme, including a 9-bin volatility basis set (VBS) treatment of organic aerosol. Results indicate that predicted mass loadings can vary significantly. Without gas phase ageing of higher volatility compounds, dynamic partitioning always results in lower mass loadings downwind of emission sources. The inclusion of condensed phase water in both partitioning models increases the predicted PM mass, resulting from a larger contribution from higher volatility organics, if present. If gas phase ageing of VBS compounds is allowed to occur in a dynamic model, this can often lead to higher predicted mass loadings, contrary to expected behaviour from a simple non-reactive gas phase box model. As descriptions of aerosol phase processes improve within regional models, the baseline descriptions of partitioning should retain the ability to treat dynamic partitioning of organic compounds. Using our simulations, we discuss whether derived sensitivities to aerosol processes in existing models may be inherently biased.This work was supported by the Nature Environment Research Council within the RONOCO (NE/F004656/1) and CCN-Vol (NE/L007827/1) projects.

Three-dimensional control of crystal growth using magnetic fields

NASA Astrophysics Data System (ADS)

Dulikravich, George S.; Ahuja, Vineet; Lee, Seungsoo

1993-07-01

Two coupled systems of partial differential equations governing three-dimensional laminar viscous flow undergoing solidification or melting under the influence of arbitrarily oriented externally applied magnetic fields have been formulated. The model accounts for arbitrary temperature dependence of physical properties including latent heat release, effects of Joule heating, magnetic field forces, and mushy region existence. On the basis of this model a numerical algorithm has been developed and implemented using central differencing on a curvilinear boundary-conforming grid and Runge-Kutta explicit time-stepping. The numerical results clearly demonstrate possibilities for active and practically instantaneous control of melt/solid interface shape, the solidification/melting front propagation speed, and the amount and location of solid accrued.

Inverse Thermal Analysis of Alloy 690 Laser and Hybrid Laser-GMA Welds Using Solidification-Boundary Constraints

NASA Astrophysics Data System (ADS)

Lambrakos, S. G.

2017-08-01

An inverse thermal analysis of Alloy 690 laser and hybrid laser-GMA welds is presented that uses numerical-analytical basis functions and boundary constraints based on measured solidification cross sections. In particular, the inverse analysis procedure uses three-dimensional constraint conditions such that two-dimensional projections of calculated solidification boundaries are constrained to map within experimentally measured solidification cross sections. Temperature histories calculated by this analysis are input data for computational procedures that predict solid-state phase transformations and mechanical response. These temperature histories can be used for inverse thermal analysis of welds corresponding to other welding processes whose process conditions are within similar regimes.

Digital SAR processing using a fast polynomial transform

NASA Technical Reports Server (NTRS)

Truong, T. K.; Lipes, R. G.; Butman, S. A.; Reed, I. S.; Rubin, A. L.

1984-01-01

A new digital processing algorithm based on the fast polynomial transform is developed for producing images from Synthetic Aperture Radar data. This algorithm enables the computation of the two dimensional cyclic correlation of the raw echo data with the impulse response of a point target, thereby reducing distortions inherent in one dimensional transforms. This SAR processing technique was evaluated on a general-purpose computer and an actual Seasat SAR image was produced. However, regular production runs will require a dedicated facility. It is expected that such a new SAR processing algorithm could provide the basis for a real-time SAR correlator implementation in the Deep Space Network. Previously announced in STAR as N82-11295

Application to rotary wings of a simplified aerodynamic lifting surface theory for unsteady compressible flow

NASA Technical Reports Server (NTRS)

Rao, B. M.; Jones, W. P.

1974-01-01

A general method of predicting airloads is applied to helicopter rotor blades on a full three-dimensional basis using the general theory developed for a rotor blade at the psi = pi/2 position where flutter is most likely to occur. Calculations of aerodynamic coefficients for use in flutter analysis are made for forward and hovering flight with low inflow. The results are compared with values given by two-dimensional strip theory for a rigid rotor hinged at its root. The comparisons indicate the inadequacies of strip theory for airload prediction. One important conclusion drawn from this study is that the curved wake has a substantial effect on the chordwise load distribution.

Characterization of Secondary Organic Aerosol Precursors Using Two-Dimensional Gas-Chromatography

NASA Astrophysics Data System (ADS)

Roskamp, M.; Lou, W.; Pankow, J. F.; Harley, P. C.; Turnipseed, A.; Barsanti, K. C.

2012-12-01

The oxidation of volatile organic compounds (VOCs) plays a role in both regional and global air quality. However, field and laboratory research indicate that the body of knowledge around the identities, quantities and oxidation processes of these compounds in the ambient atmosphere is still incomplete (e.g., Goldstein & Galbally, 2007; Robinson et al., 2009). VOCs emitted to the atmosphere largely are of biogenic origin (Guenther et al., 2006), and many studies of ambient secondary organic aerosol (SOA) suggest that SOA is largely of biogenic origin (albeit closely connected to anthropogenic activities, e.g., de Gouw and Jimenez, 2009). Accurate modeling of SOA levels and properties will require a more complete understanding of biogenic VOCs (BOCs) and their atmospheric oxidation products. For example, satellite measurements indicate that biogenic VOC emissions are two to three times greater than levels currently included in models (Heald et al., 2010). Two-dimensional gas chromatography (GC×GC) is a powerful analytical technique that shows much promise in advancing the state-of-knowledge regarding BVOCs and their role in SOA formation. In this work, samples were collected during BEACHON-RoMBAS (Bio-hydro-atmosphere Interactions of Energy, Aerosols, Carbon, H2O, Organics & Nitrogen - Rocky Mountain Biogenic Aerosol Study) in July and August of 2011. The field site was a Ponderosa Pine forest near Woodland, CO, inside the Manitou Experimental Forest, which is operated by the US Forest Service. The area is characteristic of the central Rocky Mountains and trace gas monitoring indicates that little anthropogenic pollution is transported from the nearby urban areas (Kim et al. 2010 and references therein). Ambient and enclosure samples were collected on ATD (adsorption/thermal desorption) cartridges and analyzed for BVOCs using two-dimensional gas chromatography (GC×GC) with time of flight mass spectrometry (TOFMS) and flame ionized detection (FID). Measurements of BVOC species, including mono- and sesquiterpenes and oxygenated mono- and sesquiterpenes, will be presented. The results will be discussed in the context of atmospheric composition and SOA formation.

Geology, coal quality, and resources of the Antaramut-Kurtan-Dzoragukh coal field, north-central Armenia

USGS Publications Warehouse

Pierce, B.S.; Martirosyan, A.; Malkhasian, G.; Harutunian, S.; Harutunian, G.

2001-01-01

The Antaramut-Kurta-Dzoragukh (AKD) coal deposit is a previously unrecognized coal field in north-central Armenia. Coal has been known to exist in the general vicinity since the turn of the century, but coal was thought to be restricted to a small (1 km2) area only near the village of Antaramut. However, through detailed field work and exploratory drilling, this coal deposit has been expanded to at least 20 km2, and thus renamed the Antaramut-Kurtan-Dzoragukh coal field, for the three villages that the coal field encompasses. The entire coal-bearing horizon, a series of tuffaceous sandstones, siltstones, and claystones, is approximately 50 m thick. The AKD coal field contains two coal beds, each greater than 1 m thick, and numerous small rider beds, with a total resource of approximately 31,000,000 metric tonnes. The coals are late Eocene in age, high volatile bituminous in rank, relatively high in ash yield (approximately 40%, as-determined basis) and moderate in sulfur content (approximately 3%, as-determined basis). The two coal beds (No. 1 and No. 2), on a moist, mineral-matter-free basis, have high calorific values of 32.6 MJ/kg (7796 cal/g) and 36.0 MJ/kg (8599 cal/g), respectively. Coal is one of the few indigenous fossil fuel resources occurring in Armenia and thus, the AKD coal field could potentially provide fuel for heating and possibly energy generation in the Armenian energy budget. Published by Elsevier Science B.V.

Analysis of Realized Volatility for Nikkei Stock Average on the Tokyo Stock Exchange

NASA Astrophysics Data System (ADS)

Takaishi, Tetsuya; Watanabe, Toshiaki

2016-04-01

We calculate realized volatility of the Nikkei Stock Average (Nikkei225) Index on the Tokyo Stock Exchange and investigate the return dynamics. To avoid the bias on the realized volatility from the non-trading hours issue we calculate realized volatility separately in the two trading sessions, i.e. morning and afternoon, of the Tokyo Stock Exchange and find that the microstructure noise decreases the realized volatility at small sampling frequency. Using realized volatility as a proxy of the integrated volatility we standardize returns in the morning and afternoon sessions and investigate the normality of the standardized returns by calculating variance, kurtosis and 6th moment. We find that variance, kurtosis and 6th moment are consistent with those of the standard normal distribution, which indicates that the return dynamics of the Nikkei Stock Average are well described by a Gaussian random process with time-varying volatility.

Recovery of several volatile organic compounds from simulated water samples: Effect of transport and storage

USGS Publications Warehouse

Friedman, L.C.; Schroder, L.J.; Brooks, M.G.

1986-01-01

Solutions containing volatile organic compounds were prepared in organic-free water and 2% methanol and submitted to two U.S. Geological Survey laboratories. Data from the determination of volatile compounds in these samples were compared to analytical data for the same volatile compounds that had been kept in solutions 100 times more concentrated until immediately before analysis; there was no statistically significant difference in the analytical recoveries. Addition of 2% methanol to the storage containers hindered the recovery of bromomethane and vinyl chloride. Methanol addition did not enhance sample stability. Further, there was no statistically significant difference in results from the two laboratories, and the recovery efficiency was more than 80% in more than half of the determinations made. In a subsequent study, six of eight volatile compounds showed no significant loss of recovery after 34 days.

Antiproliferative compounds of Artabotrys madagascariensis from the Madagascar rainforest†

PubMed Central

Murphy, Brian T.; Cao, Shugeng; Brodie, Peggy J.; Miller, James S.; Ratovoson, Fidy; Birkinshaw, Chris; Rakotobe, Etienne; Rasamison, Vincent E.; Tendyke, Karen; Suh, Edward M.; Kingston, David G. I.

2009-01-01

Bioassay-guided fractionation of an ethanol extract of Artabotrys madagascariensis led to the isolation of the new compound artabotrol A (1), two butenolides (2 and 3), and the tetracyclic triterpene polycarpol (4). Structure elucidation was determined on the basis of one and two-dimensional NMR, and absolute configuration of compounds 2–4 was verified by analysis of CD and optical rotation spectra. Two of the isolates, melodorinol (2) and acetylmelodorinol (3), were found to display antiproliferative activity against five different tumor cell lines with IC50 values ranging from 2.4 to 12 µM. PMID:18855218

Rotational control of computer generated holograms.

PubMed

Preece, Daryl; Rubinsztein-Dunlop, Halina

2017-11-15

We develop a basis for three-dimensional rotation of arbitrary light fields created by computer generated holograms. By adding an extra phase function into the kinoform, any light field or holographic image can be tilted in the focal plane with minimized distortion. We present two different approaches to rotate an arbitrary hologram: the Scheimpflug method and a novel coordinate transformation method. Experimental results are presented to demonstrate the validity of both proposed methods.

Three Dimensional Optical Metamaterials via Direct Laser Writing

DTIC Science & Technology

2013-03-01

can be derived from a face-centered-cubic (fcc) unit cell with a basis of two rods. b. Silver- coated woodpile structures with a period of 600 nm...described earlier. 4 It has been produced by the addition of zirconium propoxide (ZPO, 70% in propanol) to methacryloxypropyl trimethoxysilane (MAPTMS...structures, he materials investigation, synthesis and metallization protocols employed have been described in detail previously in 4-5. The silver- coated

SCREENING MODEL FOR VOLATILE POLLUTANTS IN DUEL POROSITY SOILT

EPA Science Inventory

This paper develops mass fraction models for transport and fate of volatile organic chemicals, such as pesticides, in two-region soils. It addressed two main and interrelated parts. First, expressions are derived which describe the rate mass transfer coefficient in a periodical...

Moving boundary problems for a rarefied gas: Spatially one-dimensional case

NASA Astrophysics Data System (ADS)

Tsuji, Tetsuro; Aoki, Kazuo

2013-10-01

Unsteady flows of a rarefied gas in a full space caused by an oscillation of an infinitely wide plate in its normal direction are investigated numerically on the basis of the Bhatnagar-Gross-Krook (BGK) model of the Boltzmann equation. The paper aims at showing properties and difficulties inherent to moving boundary problems in kinetic theory of gases using a simple one-dimensional setting. More specifically, the following two problems are considered: (Problem I) the plate starts a forced harmonic oscillation (forced motion); (Problem II) the plate, which is subject to an external restoring force obeying Hooke’s law, is displaced from its equilibrium position and released (free motion). The physical interest in Problem I lies in the propagation of nonlinear acoustic waves in a rarefied gas, whereas that in Problem II in the decay rate of the oscillation of the plate. An accurate numerical method, which is capable of describing singularities caused by the oscillating plate, is developed on the basis of the method of characteristics and is applied to the two problems mentioned above. As a result, the unsteady behavior of the solution, such as the propagation of discontinuities and some weaker singularities in the molecular velocity distribution function, are clarified. Some results are also compared with those based on the existing method.

Volatile and capsaicinoid composition of ají (Capsicum baccatum) and rocoto (Capsicum pubescens), two Andean species of chile peppers.

PubMed

Kollmannsberger, Hubert; Rodríguez-Burruezo, Adrián; Nitz, Siegfried; Nuez, Fernando

2011-07-01

Ají (Capsicum baccatum L. var. pendulum) and rocoto (Capsicum pubescens R. & P.) are two species of chile pepper used for millennia in Andean cuisine. The introduction of these relatively unknown Capsicum species to new markets requires an understanding of their flavour-related compounds. Thus both heat level (Scoville method and gas chromatography/mass spectrometry (GC/MS)) and, particularly, aroma (headspace solid phase microextraction and GC/MS/olfactometry) were studied in different accessions of ají and rocoto and a C. chinense control. Ajíes and rocotos are mildly pungent compared with C. chinense (13-352 vs 1605 mg kg(-1) total capsaicinoids). More than 200 volatiles were detected and marked differences in volatile pattern were found between the studied accessions. The powerful fruity/exotic aroma of the C. chinense control is due to esters such as ethyl 4-methylpentanoate, norcarotenoids such as β-ionone and the hydrocarbon ectocarpene. In contrast, the Andean peppers had more earthy/vegetable/bell pepper-like aromas. Rocotos also exhibited a distinct additional cucumber odour, while one of the ajíes had a distinctive sweet/fruity note. The aroma of C. pubescens fruits is mainly due to substituted 2-methoxypyrazines and lipoxygenase cleavage products (e.g. 2-nonenals, 2,6-nonadienal). 2-Heptanethiol, 3-isobutyl-2-methoxypyrazine and several phenols (e.g. guaiacol) and terpenoids (e.g. α-pinene, 1,8-cineol, linalool) are the basis of C. baccatum aroma, with some 3-methyl-2-butyl esters contributing to fruity notes. In this study the compounds responsible for heat and aroma in the Andean peppers C. baccatum and C. pubescens were identified. The results will be of use to inspire future studies aimed at improving the flavour of these species. Copyright © 2011 Society of Chemical Industry.

Transcriptome analysis reveals the genetic basis underlying the biosynthesis of volatile oil, gingerols, and diarylheptanoids in ginger (Zingiber officinale Rosc.).

PubMed

Jiang, Yusong; Liao, Qinhong; Zou, Yong; Liu, Yiqing; Lan, Jianbin

2017-10-23

Ginger (Zingiber officinale Rosc.) is a popular flavoring that widely used in Asian, and the volatile oil in ginger rhizomes adds a special fragrance and taste to foods. The bioactive compounds in ginger, such as gingerols, diarylheptanoids, and flavonoids, are of significant value to human health because of their anticancer, anti-oxidant, and anti-inflammatory properties. However, as a non-model plant, knowledge about the genome sequences of ginger is extremely limited, and this limits molecular studies on this plant. In this study, de novo transcriptome sequencing was performed to investigate the expression of genes associated with the biosynthesis of major bioactive compounds in matured ginger rhizome (MG), young ginger rhizome (YG), and fibrous roots of ginger (FR). A total of 361,876 unigenes were generated by de novo assembly. The expression of genes involved in the pathways responsible for the biosynthesis of major bioactive compounds differed between tissues (MG, YG, and FR). Two pathways that give rise to volatile oil, gingerols, and diarylheptanoids, the "terpenoid backbone biosynthesis" and "stilbenoid, diarylheptanoid and gingerol biosynthesis" pathways, were significantly enriched (adjusted P value < 0.05) for differentially expressed genes (DEGs) (FDR < 0.005) both between the FR and YG libraries, and the FR and MG libraries. Most of the unigenes mapped in these two pathways, including curcumin synthase, phenylpropanoylacetyl-CoA synthase, trans-cinnamate 4-monooxygenase, and 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, were expressed to a significantly higher level (log 2 (fold-change) ≥ 1) in FR than in YG or MG. This study provides the first insight into the biosynthesis of bioactive compounds in ginger at a molecular level and provides valuable genome resources for future molecular studies on ginger. Moreover, our results establish that bioactive compounds in ginger may predominantly synthesized in the root and then transported to rhizomes, where they accumulate.

Sources and production of organic aerosol in Mexico City: insights from the combination of a chemical transport model (PMCAMx-2008) and measurements during MILAGRO

NASA Astrophysics Data System (ADS)

Tsimpidi, A. P.; Karydis, V. A.; Zavala, M.; Lei, W.; Bei, N.; Molina, L.; Pandis, S. N.

2011-06-01

Urban areas are large sources of organic aerosols and their precursors. Nevertheless, the contributions of primary (POA) and secondary organic aerosol (SOA) to the observed particulate matter levels have been difficult to quantify. In this study the three-dimensional chemical transport model PMCAMx-2008 is used to investigate the temporal and geographic variability of organic aerosol in the Mexico City Metropolitan Area (MCMA) during the MILAGRO campaign that took place in the spring of 2006. The organic module of PMCAMx-2008 includes the recently developed volatility basis-set framework in which both primary and secondary organic components are assumed to be semi-volatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. The MCMA emission inventory is modified and the POA emissions are distributed by volatility based on dilution experiments. The model predictions are compared with observations from four different types of sites, an urban (T0), a suburban (T1), a rural (T2), and an elevated site in Pico de Tres Padres (PTP). The performance of the model in reproducing organic mass concentrations in these sites is encouraging. The average predicted PM1 organic aerosol (OA) concentration in T0, T1, and T2 is 18 μg m-3, 11.7 μg m-3, and 10.5 μg m-3 respectively, while the corresponding measured values are 17.2 μg m-3, 11 μg m-3, and 9 μg m-3. The average predicted locally-emitted primary OA concentrations, 4.4 μg m-3 at T0, 1.2 μg m-3 at T1 and 1.7 μg m-3 at PTP, are in reasonably good agreement with the corresponding PMF analysis estimates based on the Aerosol Mass Spectrometer (AMS) observations of 4.5, 1.3, and 2.9 μg m-3 respectively. The model reproduces reasonably well the average oxygenated OA (OOA) levels in T0 (7.5 μg m-3 predicted versus 7.5 μg m-3 measured), in T1 (6.3 μg m-3 predicted versus 4.6 μg m-3 measured) and in PTP (6.6 μg m-3 predicted versus 5.9 μg m-3 measured). The rest of the OA mass (6.1 μg m-3 and 4.2 μg m-3 in T0 and T1 respectively) is assumed to originate from biomass burning activities and is introduced to the model as part of the boundary conditions. Inside Mexico City (at T0), the locally-produced OA is predicted to be on average 60 % locally-emitted primary (POA), 6 % semi-volatile (S-SOA) and intermediate volatile (I-SOA) organic aerosol, and 34 % traditional SOA from the oxidation of VOCs (V-SOA). The average contributions of the OA components to the locally-produced OA for the entire modelling domain are predicted to be 32 % POA, 10 % S-SOA and I-SOA, and 58 % V-SOA. The long range transport from biomass burning activities and other sources in Mexico is predicted to contribute on average almost as much as the local sources during the MILAGRO period.

On the basis property of the system of eigenfunctions and associated functions of a one-dimensional Dirac operator

NASA Astrophysics Data System (ADS)

Savchuk, A. M.

2018-04-01

We study a one-dimensional Dirac system on a finite interval. The potential (a 2× 2 matrix) is assumed to be complex- valued and integrable. The boundary conditions are assumed to be regular in the sense of Birkhoff. It is known that such an operator has a discrete spectrum and the system \\{\\mathbf{y}_n\\}_1^∞ of its eigenfunctions and associated functions is a Riesz basis (possibly with brackets) in L_2\\oplus L_2. Our results concern the basis property of this system in the spaces L_μ\\oplus L_μ for μ\

Collecting exhaled breath condensate (EBC) with two condensers in series: a promising technique for studying the mechanisms of EBC formation, and the volatility of selected biomarkers.

PubMed

Corradi, Massimo; Goldoni, Matteo; Caglieri, Andrea; Folesani, Giuseppina; Poli, Diana; Corti, Marina; Mutti, Antonio

2008-03-01

Exhaled breath condensate (EBC) consists mainly of water, but also contains semivolatile and nonvolatile compounds. The aim of this study was to develop a system in which two condensers are simultaneously used in series to clarify the mechanisms of EBC condensation. Two aliquots of EBC (EBC1 and EBC2) were collected from 20 asymptomatic smokers and 20 healthy young nonsmokers using a specifically designed device having two condensers in series in which total volume, hydrogen peroxide (H(2)O(2)), ammonium (NH(4)(+)), and conductivity before and after lyophilization were measured. Water, NH(4)(+) levels and conductivity before lyophilization were significantly lower in the EBC2 than in the EBC1 of smokers and nonsmokers; the contrary was true for H(2)O(2) levels. Almost all nonvolatile salts were collected in the first condenser, because more than 50% of postlyophilization conductivity was below the detection limit in EBC2. The recovery of volatile molecules and their derivatives (water and NH(4)(+)) was partial in the first condenser, but appreciable amounts of both were measured in the second; however, the condenser immediately in contact with exhaled air was more efficient in terms of water, NH(4)(+) and conductivity before lyophilization. On the contrary, nonvolatile ions (conductivity after lyophilization) were mainly collected in the first condenser. Finally, the behavior of H(2)O(2) cannot be explained on the basis of its chemical and physical properties, and the most probable explanation is that some was byproduced by a radical reaction in the gas phase or during the condensation process in water.

Thermoelectric microdevice fabricated by a MEMS-like electrochemical process

NASA Technical Reports Server (NTRS)

Snyder, G. Jeffrey; Lim, James R.; Huang, Chen-Kuo; Fleurial, Jean-Pierre

2003-01-01

Microelectromechanical systems (MEMS) are the basis of many rapidly growing technologies, because they combine miniature sensors and actuators with communications and electronics at low cost. Commercial MEMS fabrication processes are limited to silicon-based materials or two-dimensional structures. Here we show an inexpensive, electrochemical technique to build MEMS-like structures that contain several different metals and semiconductors with three-dimensional bridging structures. We demonstrate this technique by building a working microthermoelectric device. Using repeated exposure and development of multiple photoresist layers, several different metals and thermoelectric materials are fabricated in a three-dimensional structure. A device containing 126 n-type and p-type (Bi, Sb)2Te3 thermoelectric elements, 20 microm tall and 60 microm in diameter with bridging metal interconnects, was fabricated and cooling demonstrated. Such a device should be of technological importance for precise thermal control when operating as a cooler, and for portable power when operating as a micro power generator.

Chemistry of one-dimensional metallic edge states in MoS2 nanoclusters

NASA Astrophysics Data System (ADS)

Lauritsen, J. V.; Nyberg, M.; Vang, R. T.; Bollinger, M. V.; Clausen, B. S.; Topsøe, H.; Jacobsen, K. W.; Lægsgaard, E.; Nørskov, J. K.; Besenbacher, F.

2003-03-01

Nanostructures often have unusual properties that are linked to their small size. We report here on extraordinary chemical properties associated with the edges of two-dimensional MoS2 nanoclusters, which we show to be able to hydrogenate and break up thiophene (C4H4S) molecules. By combining atomically resolved scanning tunnelling microscopy images of single-layer MoS2 nanoclusters and density functional theory calculations of the reaction energetics, we show that the chemistry of the MoS2 nanoclusters can be associated with one-dimensional metallic states located at the perimeter of the otherwise insulating nanoclusters. The new chemistry identified in this work has significant implications for an important catalytic reaction, since MoS2 nanoclusters constitute the basis of hydrotreating catalysts used to clean up sulfur-containing molecules from oil products in the hydrodesulfurization process.

Smoothed Particle Hydrodynamics Simulations of Ultrarelativistic Shocks with Artificial Viscosity

NASA Astrophysics Data System (ADS)

Siegler, S.; Riffert, H.

2000-03-01

We present a fully Lagrangian conservation form of the general relativistic hydrodynamic equations for perfect fluids with artificial viscosity in a given arbitrary background spacetime. This conservation formulation is achieved by choosing suitable Lagrangian time evolution variables, from which the generic fluid variables of rest-mass density, 3-velocity, and thermodynamic pressure have to be determined. We present the corresponding equations for an ideal gas and show the existence and uniqueness of the solution. On the basis of the Lagrangian formulation we have developed a three-dimensional general relativistic smoothed particle hydrodynamics (SPH) code using the standard SPH formalism as known from nonrelativistic fluid dynamics. One-dimensional simulations of a shock tube and a wall shock are presented together with a two-dimensional test calculation of an inclined shock tube. With our method we can model ultrarelativistic fluid flows including shocks with Lorentz factors of even 1000.

Characterization of the "viable but nonculturable" (VBNC) state in the wine spoilage yeast Brettanomyces.

PubMed

Serpaggi, Virginie; Remize, Fabienne; Recorbet, Ghislaine; Gaudot-Dumas, Eliane; Sequeira-Le Grand, Anabelle; Alexandre, Hervé

2012-06-01

Although the viable but not culturable (VBNC) state has been studied in detail in bacteria, it has been suggested that maintenance of viability with loss of culturability also exists in eukaryotic cells, such as in the wine spoilage yeast Brettanomyces. To provide conclusive evidence for the existence of a VBNC state in this yeast, we investigated its capacity to become viable and nonculturable after sulfite stress, and its ability to recover culturability after stressor removal. Sulfite addition induced loss of culturability but maintenance of viability. Increasing the medium pH to decrease the concentration of toxic SO(2) allowed yeast cells to become culturable again, thus demonstrating the occurrence of a VBNC state in Brettanomyces upon SO(2) exposure. Relative to culturable Brettanomyces, VBNC yeast cells were found to display a 22% decrease in size on the basis of laser granulometry. Assays for 4-ethylguaiacol and 4-ethylphenol, volatile phenols produced by Brettanomyces, indicated that spoilage compound production could persist in VBNC cells. These morphological and physiological changes in VBNC Brettanomyces were coupled to extensive protein pattern modifications, as inferred by comparative two-dimensional electrophoresis and mass spectrometric analyses. Upon identification of 53 proteins out of the 168 spots whose abundance was significantly modified in treated cells relative to control, we propose that the SO(2)-induced VBNC state in Brettanomyces is characterized by a reduced glycolytic flux coupled to changes in redox homeostatis/protein turnover-related processes. This study points out the existence of common mechanisms between yeast and bacteria upon entry to the VBNC state. Copyright © 2012 Elsevier Ltd. All rights reserved.

Separation and characterization of allergic polymerized impurities in cephalosporins by 2D-HPSEC×LC-IT-TOF MS.

PubMed

Xu, Yu; Wang, DanDan; Tang, Lan; Wang, Jian

2017-10-25

Eleven unknown allergic impurities in cefodizime, cefmenoxime and cefonicid were separated and characterized by a trap-free two-dimensional high performance size exclusion chromatography (HPSEC) and reversed phase liquid chromatography (RP-HPLC) coupled to high resolution ion trap/time-of-flight mass spectrometry (2D-HPSEC×LC-IT-TOF MS) with positive and negative modes of electrospray ionization method. Separation and characterization the allergic polymerized impurities in β-lactam antibiotics were on the basis of column-switching technique which effectively combined the advantages of HPSEC and the ability of RP-HPLC to identify the special impurities. In the first dimension HPSEC, the column was Xtimate SEC-120 analytical column (7.8mm×30cm, 5μm), and the gradient elution used pH 7.0 buffer-acetonitrile as mobile phase And the second dimension analytical column was ZORBAX SB-C18 (4.6×150mm, 3.5μm) with ammonium formate solution (10mM) and ammonium formate (8mM) in [acetonitrile-water (4:1, v/v)] solution as mobile phase. Structures of eleven unknown impurities were deduced based on the high resolution MS n data with both positive and negative modes, in which nine impurities were polymerized impurities. The forming mechanism of β-lactam antibiotic polymerization in cephalosporins was also studied. The question on incompatibility between non-volatile salt mobile phase and mass spectrometry was solved completely by multidimensional heart-cutting approaches and online demineralization technique, which was worthy of widespread use and application for the advantages of stability and repeatability. Copyright © 2017. Published by Elsevier B.V.

Dynamic chemical communication between plants and bacteria through airborne signals: induced resistance by bacterial volatiles.

PubMed

Farag, Mohamed A; Zhang, Huiming; Ryu, Choong-Min

2013-07-01

Certain plant growth-promoting rhizobacteria (PGPR) elicit induced systemic resistance (ISR) and plant growth promotion in the absence of physical contact with plants via volatile organic compound (VOC) emissions. In this article, we review the recent progess made by research into the interactions between PGPR VOCs and plants, focusing on VOC emission by PGPR strains in plants. Particular attention is given to the mechanisms by which these bacterial VOCs elicit ISR. We provide an overview of recent progress in the elucidation of PGPR VOC interactions from studies utilizing transcriptome, metabolome, and proteome analyses. By monitoring defense gene expression patterns, performing 2-dimensional electrophoresis, and studying defense signaling null mutants, salicylic acid and ethylene have been found to be key players in plant signaling pathways involved in the ISR response. Bacterial VOCs also confer induced systemic tolerance to abiotic stresses, such as drought and heavy metals. A review of current analytical approaches for PGPR volatile profiling is also provided with needed future developments emphasized. To assess potential utilization of PGPR VOCs for crop plants, volatile suspensions have been applied to pepper and cucumber roots and found to be effective at protecting plants against plant pathogens and insect pests in the field. Taken together, these studies provide further insight into the biological and ecological potential of PGPR VOCs for enhancing plant self-immunity and/or adaptation to biotic and abiotic stresses in modern agriculture.

A Monte-Carlo Analysis of Organic Volatility with Aerosol Microphysics

NASA Astrophysics Data System (ADS)

Gao, Chloe; Tsigaridis, Kostas; Bauer, Susanne E.

2017-04-01

A newly developed box model, MATRIX-VBS, includes the volatility-basis set (VBS) framework in an aerosol microphysical scheme MATRIX (Multiconfiguration Aerosol TRacker of mIXing state), which resolves aerosol mass and number concentrations and aerosol mixing state. The new scheme advanced the representation of organic aerosols in models by improving the traditional and simplistic treatment of organic aerosols as non-volatile and with a fixed size distribution. Further development includes adding the condensation of organics on coarse mode aerosols - dust and sea salt, thus making all organics in the system semi-volatile. To test and simplify the model, a Monte-Carlo analysis is performed to pin point which processes affect organics the most under varied chemical and meteorological conditions. Since the model's parameterizations have the ability to capture a very wide range of conditions, all possible scenarios on Earth across the whole parameter space, including temperature, humidity, location, emissions and oxidant levels, are examined. The Monte-Carlo simulations provide quantitative information on the sensitivity of the newly developed model and help us understand how organics are affecting the size distribution, mixing state and volatility distribution at varying levels of meteorological conditions and pollution levels. In addition, these simulations give information on which parameters play a critical role in the aerosol distribution and evolution in the atmosphere and which do not, that will facilitate the simplification of the box model, an important step in its implementation in the global model GISS ModelE as a module.

Triticale crisp bread enriched with selected bioactive additives: volatile profile, physical characteristics, sensory and nutritional properties.

PubMed

Makowska, Agnieszka; Majcher, Małgorzata; Mildner-Szkudlarz, Sylwia; Jedrusek-Golinska, Anna; Przygoński, Krzysztof

2017-09-01

The effect of selected plant additives (couch grass, artichoke, kale, nettle, ground buckwheat husks, broad beans, fenugreek seeds, and extracts of yellow tea and mulberry leaf) on the volatile compounds, color, texture, sensory attributes, polyphenols, and antioxidant properties of triticale crisp bread was studied. The volatile profile of control bread was dominated by lipid oxidation products with hexanal and (E)-2-nonenal predominant. The additives strongly modified the volatile profile of the extruded crisp bread. The greatest differences were recorded in the case of products with artichoke and kale additions, which had respectively about 12 and 8 times higher levels of total volatile compounds than the control crisp bread. The samples containing kale, buckwheat, and fenugreek as well as yellow tea extract characterized high levels of sulfur compounds, with methanethiol predominant. The additives, especially kale, nettle, and artichoke affected the color of the crisp breads, in most cases making them darker. In terms of texture only the crisp bread with addition of buckwheat husk was significantly harder than the control sample. On the basis of sensory evaluation it was stated that among all the additives, the artichoke and fenugreek resulted in dramatic deterioration in the extruded product taste. The used additives also affected the antioxidant properties of triticale crisp bread. The greatest content of total phenolic compounds and the highest antioxidant activity were observed for the bread with yellow tea extract addition (3.5- and 6.5-fold higher, respectively, than in control sample).

Learning the Hard Way: The Poor Environment of America's Schools.

ERIC Educational Resources Information Center

Wakefield, Julie

2002-01-01

This article asserts that a significant number of schoolchildren and teachers in the United States are exposed on an almost daily basis to environmental hazards including volatile organic chemicals, airborne lead and asbestos, and noise pollution while they are at school. Some school hazards are linked to the aging of many of the nation's schools,…

77 FR 37610 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of trans-1,3,3,3...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-22

... through atmospheric photochemical reactions. Different VOCs have different levels of reactivity--that is...: (i) The reaction rate constant (known as k OH ) with the hydroxyl radical (OH); (ii) the maximum... per mole basis. Differences between these three metrics are discussed below. The k OH is the reaction...