Sample records for aqueous food simulants

  1. Effect of heat processing and storage time on migration of bisphenol A (BPA) and bisphenol A-diglycidyl ether (BADGE) to aqueous food simulant from Mexican can coatings. (United States)

    Munguia-Lopez, E M; Soto-Valdez, H


    Effects of heat processing and storage time (up to 70 days) on migration of bisphenol A (BPA) and bisphenol A-diglycidyl ether (BADGE) from can coatings into an aqueous food simulant were determined. Distilled water was canned in two types of Mexican cans: for tuna and for jalapeño peppers. Results showed that there is an effect of heat treatment on migration of both compounds. Storage time did not show any effect in BPA migration from tuna cans. There was an effect of storage time on BPA migration from jalapeño pepper cans. Results for BADGE migration were affected by its susceptibility to hydrolyze in aqueous simulants. BADGE concentration decreased, or was not detected, during storage in both types of cans. Migration levels for BPA and BADGE were within 0.6-83.4 and Mercosur legislation limits. Other migrating compounds were detected, although no identification was performed.

  2. Migration of melamine from thermally cured, amino cross-linked can coatings into an aqueous ethanol food simulant: aspects of hydrolysis, relative reactivity and migration. (United States)

    Magami, Saminu M; Oldring, Peter K T; Castle, Laurence; Guthrie, James T


    Aspects of melamine migration from epoxy-based coatings into a food simulant were studied. Four commercial amino-based cross linkers were incorporated into an epoxy anhydride coating system and into an epoxy phenolic coating system. The epoxy-based coatings were formulated, applied, cured and tested for migration by retorting in contact with the food simulant, 10% ethanol, at 131°C. The commercial melamino-based cross linkers used and the model coatings that were prepared using these cross linkers contained very low or non-detectable levels of free melamine. However, during retorting, the migration of melamine from the coatings increased as the retorting time was increased. This migration process is not the more classical diffusional process but rather the result of chemical attack (hydrolysis) of the coating. For these model can coatings, a substantial fraction of the melamino cross linker was hydrolysed although, curiously, the essential functional properties of the coating are retained. In all cases, for these model systems the migration of melamine was rather low because the cross linkers are used commercially in only small amounts - typically 1-2% of the dry film weight of the coatings. For the standard retorting conditions of 1 h, migration of melamine was up to 0.4 mg kg(-1), depending on the cross linker used. The cross linker that contained the methylol functionality (-CH₂OH group) gave rise to less melamine than did the alkylated cross linkers (methylated and butylated, -OCHv and -O(CH₂)₃CH₃, respectively). This observation could prove useful in formulating coatings with even lower melamine release characteristics.

  3. Changes in the specific migration characteristics of packaging-food simulant combinations caused by ionizing radiation: Effect of food simulant

    Energy Technology Data Exchange (ETDEWEB)

    Zygoura, Panagiota D., E-mail: me00806@cc.uoi.g [Laboratory of Food Chemistry and Technology, Department of Chemistry, University of Ioannina, GR-45110 Ioannina (Greece); Paleologos, Evangelos K.; Kontominas, Michael G. [Laboratory of Food Chemistry and Technology, Department of Chemistry, University of Ioannina, GR-45110 Ioannina (Greece)


    The primary objective of the present study was to evaluate the extent to which the affinity of the surrounding medium for the migrant, as well as the packaging material, affects the specific migration characteristics of the latter. For this purpose, migration tests were conducted with vinylidene chloride copolymer (PVDC/PVC) in contact with the EU specified solvents simulating all food types: namely, distilled water, 3% w/v acetic acid, 10% v/v ethanol and isooctane. Migration testing was carried out at 40 {sup o}C for 10 days for the aqueous simulants, and at 20 {sup o}C for 2 days for the fatty food simulant (). In addition, food-grade saran film was subjected to ionizing radiation treatment with a [{sup 60}Co] source at doses equal to 5, 15 and 25 kGy. Acetyl tributyl citrate (ATBC) plasticizer levels were monitored as a function of time for untreated, as well as gamma-irradiated packaging material, with a secondary objective to investigate the effect of ionizing radiation on polymer/migrant/surrounding medium interactions. Depending on the food simulant, determination of the analyte was performed by either direct gas chromatographic analysis, or surfactant (Triton X-114) mediated extraction followed by gas chromatographic-flame ionization detection (GC-FID). ATBC concentrations determined in aqueous and fatty food simulants were 0.216-0.497 and 5.0-5.9 mg/L, respectively. Therefore, the most efficient extracting medium of plasticizers in vinyl chloride copolymers is the non-polar isooctane. Moreover, an extremely high rate of ATBC migration into isooctane during the early stages of contact was observed. The above observation verifies the aggressiveness of isooctane towards plastic packaging materials. Amongst the aqueous food simulants tested, the 10% ethanol solution demonstrated the highest migration levels. Gamma-irradiation enhanced ATBC migration; specific migration levels increased with increasing contact time and radiation dose. This was expected, since

  4. Changes in the specific migration characteristics of packaging-food simulant combinations caused by ionizing radiation: Effect of food simulant (United States)

    Zygoura, Panagiota D.; Paleologos, Evangelos K.; Kontominas, Michael G.


    The primary objective of the present study was to evaluate the extent to which the affinity of the surrounding medium for the migrant, as well as the packaging material, affects the specific migration characteristics of the latter. For this purpose, migration tests were conducted with vinylidene chloride copolymer (PVDC/PVC) in contact with the EU specified solvents simulating all food types: namely, distilled water, 3% w/v acetic acid, 10% v/v ethanol and isooctane. Migration testing was carried out at 40 °C for 10 days for the aqueous simulants, and at 20 °C for 2 days for the fatty food simulant (EC, 1997; EEC, 1993). In addition, food-grade saran film was subjected to ionizing radiation treatment with a [60Co] source at doses equal to 5, 15 and 25 kGy. Acetyl tributyl citrate (ATBC) plasticizer levels were monitored as a function of time for untreated, as well as gamma-irradiated packaging material, with a secondary objective to investigate the effect of ionizing radiation on polymer/migrant/surrounding medium interactions. Depending on the food simulant, determination of the analyte was performed by either direct gas chromatographic analysis, or surfactant (Triton X-114) mediated extraction followed by gas chromatographic-flame ionization detection (GC-FID). ATBC concentrations determined in aqueous and fatty food simulants were 0.216-0.497 and 5.0-5.9 mg/L, respectively. Therefore, the most efficient extracting medium of plasticizers in vinyl chloride copolymers is the non-polar isooctane. Moreover, an extremely high rate of ATBC migration into isooctane during the early stages of contact was observed. The above observation verifies the aggressiveness of isooctane towards plastic packaging materials. Amongst the aqueous food simulants tested, the 10% ethanol solution demonstrated the highest migration levels. Gamma-irradiation enhanced ATBC migration; specific migration levels increased with increasing contact time and radiation dose. This was expected

  5. Aqueous solution of basic fuchsin as food irradiation dosimeter

    Institute of Scientific and Technical Information of China (English)

    Hasan M. KHAN; Shagufta NAZ


    Dosimetric characterization of aqueous solution of basic fuchsin was studied spectrophotometrically for possible application in the low-dose food irradiation dosimetry. Absorption spectra of unirradiated and irradiated solutions were determined and the decrease in absorbance with the dose was noted down. Radiation-induced bleaching of the dye was measured at wavelengths of maximum absorption λmax (540nm) as well as 510nm and 460 nm. At all these wavelengths, the decrease in absorbance of the dosimeter was linear with respect to the absorbed dose from 50 Gy to 600 Gy. The stability of dosimetric solution during post-irradiation storage in the dark at room temperature showed that after initial bleaching during first ten to twenty days, the response was almost stable for about 34 days. The study on the effect of different light and temperature conditions also showed that the response gradually decreased during the storage period of 34 days, which shows that basic fuchsin dye is photosensitive as well as thermally sensitive.

  6. Aspiration tests in aqueous foam using a breathing simulator

    Energy Technology Data Exchange (ETDEWEB)

    Archuleta, M.M.


    Non-toxic aqueous foams are being developed by Sandia National Laboratories (SNL) for the National Institute of Justice (NIJ) for use in crowd control, cell extractions, and group disturbances in the criminal justice prison systems. The potential for aspiration of aqueous foam during its use and the resulting adverse effects associated with complete immersion in aqueous foam is of major concern to the NIJ when examining the effectiveness and safety of using this technology as a Less-Than-Lethal weapon. This preliminary study was designed to evaluate the maximum quantity of foam that might be aspirated by an individual following total immersion in an SNL-developed aqueous foam. A.T.W. Reed Breathing simulator equipped with a 622 Silverman cam was used to simulate the aspiration of an ammonium laureth sulfate aqueous foam developed by SNL and generated at expansion ratios in the range of 500:1 to 1000:1. Although the natural instinct of an individual immersed in foam is to cover their nose and mouth with a hand or cloth, thus breaking the bubbles and decreasing the potential for aspiration, this study was performed to examine a worst case scenario where mouth breathing only was examined, and no attempt was made to block foam entry into the breathing port. Two breathing rates were examined: one that simulated a sedentary individual with a mean breathing rate of 6.27 breaths/minute, and one that simulated an agitated or heavily breathing individual with a mean breathing rate of 23.7 breaths/minute. The results of this study indicate that, if breathing in aqueous foam without movement, an air pocket forms around the nose and mouth within one minute of immersion.

  7. Stability of the Secondary Antioxidant Bis(2,4-di-tert-butylphenyl)pentaerythritol Diphosphite in Food Simulants

    NARCIS (Netherlands)

    Pérez-Lamela, C.; Rijk, R.; Simal-Gándara, J.


    To establish the stability of Ultranox 626 (an antioxidant added to plastics) in food simulants under migration conditions, migrations tests have been performed. A method has been developed for the determination of Ultranox 626 in the aqueous food simulants distilled water, 3% (w/v) acetic acid, and

  8. Reactions of aqueous chlorine and chlorine dioxide with model food compounds.


    Fukayama, M Y; Tan, H; Wheeler, W B; Wei, C I


    Chlorine and chlorine dioxide (ClO2), common disinfecting and bleaching chemicals used in the food industry, are potent oxidizing and chlorinating agents. Unfortunately, little is known about the nature of the reactions of chlorine with organic food constituents. This presentation reviews published information concerning the reactions of chlorine gas (Cl2[g]), aqueous chlorine, and ClO2 with model food compounds, the fate of chlorine during the chlorination of specific food products, and the ...

  9. Food and Famine: A Game Simulation. (United States)

    Kvale, Katherine; Delehanty, James

    This game simulates trade and food production in the West African region of the Sahel which is susceptible to drought. Players are divided into teams of two and four persons, each team assuming the role of a farming household in the Sahel. Teammates collaborate on production and trade decisions under conditions of dearth and plenty. The game…

  10. Charge neutrality breakdown in confined aqueous electrolytes: Theory and simulation. (United States)

    Colla, Thiago; Girotto, Matheus; Dos Santos, Alexandre P; Levin, Yan


    We study, using Density Functional theory (DFT) and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in contact with a bulk salt reservoir. In agreement with recent experimental observations [Z. Luo et al., Nat. Commun. 6, 6358 (2015)], we find that the confined electrolyte lacks local charge neutrality. We show that a DFT based on a bulk-HNC expansion properly accounts for strong electrostatic correlations and allows us to accurately calculate the ionic density profiles between the charged surfaces, even for electrolytes containing trivalent counterions. The DFT allows us to explore the degree of local charge neutrality violation, as a function of plate separation and bulk electrolyte concentration, and to accurately calculate the interaction force between the charged surfaces.

  11. Reactions of aqueous chlorine and chlorine dioxide with model food compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fukayama, M.Y.; Tan, H.; Wheeler, W.B.; Wei, C.


    This presentation reviews published information concerning the reactions of chlorine gas (CL/sub 2/(g)), aqueous chlorine, and ClO/sub 2/ with model food compounds, the fate of chlorine during the chlorination of specific food products, and the potential toxicity of the reaction products. Fatty acids and their methyl esters react with chlorine with the degree of incorporation corresponding to their degree of unsaturation. Aqueous chlorine oxidizes and chlorinates lipids and amino acids much more readily than ClO/sub 2/. Several amino acids are highly susceptible to oxidation and chlorination by chlorine compounds. Reactions of chlorine and ClO/sub 2/ with several food products, including flour and shrimp, have also been characterized. Although significant quantities of chlorine can be incorporated into specific model compounds and food products, the health risks associated with exposure to chlorinated organic products are unknown. Preliminary studies using the Ames Salmonella/microsome mutagenicity assay indicate that the reaction products from mixtures of aqueous chlorine and various lipids or tryptophan are nonmutagenic. Nevertheless, additional studies are warranted, so that the toxicological significance of these reaction products can be understood more fully.

  12. Migration of melamine from can coatings cross-linked with melamine-based resins, into food simulants and foods. (United States)

    Bradley, E L; Castle, L; Day, J S; Leak, J


    Resins based on melamine-formaldehyde and related analogues such as methylolated melamine are used to cross-link coatings used inside food cans and on the metal closures of glass jars. Thirteen commercially coated cans and closures representing 80% of the European market were tested using simulants under realistic industrial heat-processing conditions for canned and jarred foods. The food simulants and the retort conditions used were 3% acetic acid for 1 h at 100 °C and 10% ethanol for 1 h at 130 °C. The highest migration level seen for melamine into simulant was 332 µg kg⁻¹. There was no detectable migration of the melamine analogues cyanuric acid (food simulant and foods themselves were then conducted using two experimental coatings made using amino-based cross-linking resins. Coated metal panels were exposed to the food simulant 10% (v/v) aqueous ethanol and to three foodstuffs under a range of time and temperature conditions both in the laboratory and in a commercial food canning facility using proprietary time and temperature conditions. The highest migration into a food was 152 µg kg⁻¹ from the first coating processed for a long time at a moderate sterilisation temperature. The highest migration into simulant was also from this coating at 220 µg kg⁻¹ when processed at 134 °C for 60 min, dropping to 190 µg k⁻¹ when processed at 123 °C for 70 min. Migration from the second coating was quite uniformly two to three times lower under all tests. These migration results were significantly higher than the levels of melamine extractable using 95% ethanol at room temperature. The experiments show that commercial canning and retorting can be mimicked in an acceptable way using laboratory tests with an autoclave or a simple pressure cooker. The results overall show there is hydrolytic degradation of the melamine cross-linked resins to release additional melamine. There is a strong influence of the temperature of heat treatment applied with foods or

  13. Monte Carlo Simulation of Aqueous Dilute Solutions of Polyhydric Alcohols (United States)

    Lilly, Arnys Clifton, Jr.

    In order to investigate the details of hydrogen bonding and solution molecular conformation of complex alcohols in water, isobaric-isothermal Monte Carlo simulations were carried out on several systems. The solutes investigated were ethanol, ethylene glycol, 1,2-propylene glycol, 1,3 -propylene glycol and glycerol. In addition, propane, which does not hydrogen bond but does form water hydrates, was simulated in aqueous solution. The complex alcohol-water systems are very nonideal in their behavior as a function of solute concentration down to very dilute solutions. The water model employed was TIP4P water^1 and the intermolecular potentials employed are of the Jorgensen type^2 in which the interactions between the molecules are represented by interaction sites usually located on nuclei. The interactions are represented by a sum of Coulomb and Lennard-Jones terms between all intermolecular pairs of sites. Intramolecular rotations in the solute are modeled by torsional potential energy functions taken from ethanol, 1-propanol and 2-propanol for C-O and C-C bond rotations. Quasi-component pair correlation functions were used to analyze the hydrogen bonding. Hydrogen bonds were classified as proton acceptor and proton donor bonds by analyzing the nearest neighbor pair correlation function between hydroxyl oxygen and hydrogen and between solvent-water hydrogen and oxygen. The results obtained for partial molar heats of solution are more negative than experimental values by 3.0 to 14 kcal/mol. In solution, all solutes reached a contracted molecular geometry with the OH groups generally on one side of the molecule. There is a tendency for the solute OH groups to hydrogen bond with water, with more proton acceptor bonds than proton donor bonds. The water -solute binding energies correlate with experimental measurements of the water-binding properties of the solute. ftn ^1Jorgensen, W. L. et al, J. Chem. Phys., 79, 926 (1983). ^2Jorgensen, W. L., J. Phys Chem., 87, 5304

  14. Simulating Food Web Dynamics along a Gradient: Quantifying Human Influence


    Ferenc Jordán; Nerta Gjata; Shu Mei; Yule, Catherine M.


    Realistically parameterized and dynamically simulated food-webs are useful tool to explore the importance of the functional diversity of ecosystems, and in particular relations between the dynamics of species and the whole community. We present a stochastic dynamical food web simulation for the Kelian River (Borneo). The food web was constructed for six different locations, arrayed along a gradient of increasing human perturbation (mostly resulting from gold mining activities) along the river...

  15. Modeling complex and multi-component food systems in molecular dynamics simulations on the example of chocolate conching. (United States)

    Greiner, Maximilian; Sonnleitner, Bettina; Mailänder, Markus; Briesen, Heiko


    Additional benefits of foods are an increasing factor in the consumer's purchase. To produce foods with the properties the consumer demands, understanding the micro- and nanostructure is becoming more important in food research today. We present molecular dynamics (MD) simulations as a tool to study complex and multi-component food systems on the example of chocolate conching. The process of conching is chosen because of the interesting challenges it provides: the components (fats, emulsifiers and carbohydrates) contain diverse functional groups, are naturally fluctuating in their chemical composition, and have a high number of internal degrees of freedom. Further, slow diffusion in the non-aqueous medium is expected. All of these challenges are typical to food systems in general. Simulation results show the suitability of present force fields to correctly model the liquid and crystal density of cocoa butter and sucrose, respectively. Amphiphilic properties of emulsifiers are observed by micelle formation in water. For non-aqueous media, pulling simulations reveal high energy barriers for motion in the viscous cocoa butter. The work for detachment of an emulsifier from the sucrose crystal is calculated and matched with detachment of the head and tail groups separately. Hydrogen bonding is shown to be the dominant interaction between the emulsifier and the crystal surface. Thus, MD simulations are suited to model the interaction between the emulsifier and sugar crystal interface in non-aqueous media, revealing detailed information about the structuring and interactions on a molecular level. With interaction parameters being available for a wide variety of chemical groups, MD simulations are a valuable tool to understand complex and multi-component food systems in general. MD simulations provide a substantial benefit to researchers to verify their hypothesis in dynamic simulations with an atomistic resolution. Rapid rise of computational resources successively

  16. CO2 capture using aqueous ammonia: kinetic study and process simulation

    DEFF Research Database (Denmark)

    Darde, Victor Camille Alfred; van Well, Willy J.M.; Stenby, Erling Halfdan


    Carbon dioxide capture using aqueous ammonia is a post-combustion technology that has shown a good potential. Therefore this process is studied by measuring the rate of absorption of carbon dioxide by aqueous ammonia and by performing process simulation. The rate of absorption of carbon dioxide...... to 0.6. The results were compared with those found for 30 wt% mono-ethanolamine (MEA) solutions.The capture process was simulated successfully using the simulator Aspen Plus coupled with the extended UNIQUAC thermodynamic model available for the NH3–CO2–H2O system. For this purpose, a user model...

  17. Modeling and 3-D Simulation of Biofilm Dynamics in Aqueous Environment (United States)

    Wang, Qi


    We present a complex fluid model for biofilms growing in an aqueous environment. The modeling approach represents a new paradigm to develop models for biofilm-environment interaction that can be used to systematically incorporate refined chemical and physiological mechanisms. Special solutions of the model are presented and analyzed. 3-D numerical simulations in aqueous environment with emphasis on biofilm- ambient fluid interaction will be discussed in detail.

  18. [Determination of 46 plasticizers in food contact polyvinyl chloride packaging materials and their migration into food simulants by gas chromatography-mass spectrometry]. (United States)

    Guo, Chunhai; Bo, Haibo; Duan, Wenzhong; Jia, Haitao; Chen, Ruichun; Ma, Yusong; Ai, Lianfeng


    A gas chromatography-mass spectrometry (GC-MS) method was developed for the determination of 46 plasticizers in food contact polyvinyl chloride (PVC) packaging materials and their migration into food simulants, i. e. water, 3% acetic acid, 10% ethanol and olive oil. Plasticizers in the PVC packaging materials, aqueous food simulants and olive oil food simulants were extracted by the dissolution-precipitation, liquid-liquid extraction and gel permeation chromatography (GPC) approaches, respectively. The extracts were analyzed by GC-MS in selective ion monitoring (SIM) mode and quantified using the external standard method. The cal-ibration curves were linear in the ranges of 0.1-2.0 mg/L with the correlation coefficients of 0.9910-0. 999 9. The limits of detection were from 0. 005 mg/kg to 0. 05 mg/kg ( S/N = 5 ). The recoveries at 3 spiked levels were 69.51%-107. 21% and the relative standard deviations (RSDs n = 6) ranged from 3.53% to 18.95%. These results show that this method is fast, sensitive and accurate for the qualitative and quantitative determination of plasticizers in food contact plastic products and 4 types of food simulants.

  19. Characterisation of bioaccumulation dynamics of three differently coated silver nanoparticles and aqueous silver in a simple freshwater food chain

    DEFF Research Database (Denmark)

    Kalman, Judit; Paul, Kai B.; Khan, Farhan R.


    This study investigated the bioaccumulation dynamics of silver nanoparticles (Ag NPs) with different coatings (polyvinyl pyrrolidone, polyethylene glycol and citrate), in comparison with aqueous Ag (added as AgNO3), in a simplified freshwater food chain comprising the green alga Chlorella vulgaris...

  20. Multiphase simulation of mine waters and aqueous leaching processes

    Directory of Open Access Journals (Sweden)

    Pajarre Risto


    Full Text Available Managing of large amounts of water in mining and mineral processing sites remains a concern in both actively operated and closed mining areas. When the mining site with its metal or concentrate producing units is operational, the challenge is to find either ways for economical processing with maximum yields, while minimizing the environmental impact of the water usage and waste salt treatments. For safe closure of the site, the environmental control of possible drainage will be needed. For both challenges, the present-day multiphase process simulations tools can be used to provide improved accuracy and better economy in controlling the smooth and environmentally sound operation of the plant. One of the pioneering studies in using the multiphase thermodynamic software in simulation of hydrometallurgical processes was that of Koukkari et al. [1]. The study covered the use of Solgasmix equilibrium software for a number of practical acid digesters. The models were made for sulfuric acid treatments in titania pigment production and in NPK fertilizer manufacturing. During the past two decades the extensive data assessment has taken place particularly in geochemistry and a new versions of geochemical multiphase equilibrium software has been developed. On the other hand, there has been some progress in development of the process simulation software in all the aforementioned fields. Thus, the thermodynamic simulation has become a tool of great importance in development of hydrometallurgical processes. The presentation will cover three example cases of either true pilot or industrial systems including a South African acid mine water drainage treatment, hydrometallurgical extraction of rare earths from uranium leachate in Russia and a multistage process simulation of a Finnish heap leaching mine with its subsequent water treatment system.

  1. Computer Simulation of the Process of Quenching Large-Size Parts in Water and Aqueous Solutions

    Institute of Scientific and Technical Information of China (English)

    N.I.Kobasko; W.S.Morhuniuk; V.V.Dobrivecher; A.M.Weinov


    The article presents results of the computer simulation of quenching large-size parts in water and aqueous solutions. It has been shown that the main attention should be paid to eliminating film boiling and providing uniform cooling at the surface of the part to be quenched. Simplified formulas for calculating the optimal time of cooling large-size steel parts are presented.

  2. Silver nanoparticle release from commercially available plastic food containers into food simulants

    DEFF Research Database (Denmark)

    Mackevica, Aiga; Olsson, Mikael Emil; Hansen, Steffen Foss


    . In the current study, we investigated four brands of commercially available plastic food storage containers and measured the total amount of silver, particle size and number concentration, and the migration rates into three different food simulants (Milli-Q grade water, 10 % ethanol, and 3 % acetic acid) for 10...... days at 40 °C. The experimental setup was made according to the European Commission Directive (EU 10/2011) for articles intended to be in contact with food. The total amount of silver in plastic containers and migration solutions was quantified by ICP-MS analysis, and the size of the migrated particles...

  3. Recycled paper-paperboard for food contact materials: contaminants suspected and migration into foods and food simulant. (United States)

    Suciu, Nicoleta A; Tiberto, Francesca; Vasileiadis, Sotirios; Lamastra, Lucrezia; Trevisan, Marco


    Contaminant residues in food packaging is a new challenge of our time, as it may pose a threat for consumers. Higher levels of contaminants were observed in food packaging made by recycled materials, even if little information is available for some groups of contaminants. The present study proposes a procedure for analyzing three different groups of organic contaminants in recycled paper and paperboard. Seventeen commercial samples were analyzed for the presence of bisphenol A (BPA), bis (2-ethylhexyl) phthalate (DEHP), nonylphenol monoethoxylate (NMP) and nonylphenol di-ethoxilate (NDP). Not all the samples contained all the contaminants; BPA was the only substance present in all the samples. The concentrations detected were quite high and, in most of the cases, in agreement with results reported in previous studies. Substance migration tests from spiked/non-spiked samples for two dry foods and Tenax® food simulant were undertaken. BPA migration quotients were always lower than 1%, whereas the migration quotients of DEHP were higher than 2.0%. The highest nonylphenols migration quotients were 6.5% for NMP and 8.2% for NDP. Tenax® simulates well the contaminants migration from paperboard to dry food, in some cases being even more severe than the food.

  4. The aqueous layers within the myelin sheath modulate the membrane properties of simulated hereditary demyelinating neuropathies. (United States)

    Stephanova, D I; Krustev, S M; Daskalova, M


    To expand our studies on the mechanisms underlying the clinical decline of the nerve excitability properties in patients with hereditary demyelinating neuropathies, the contribution of myelin sheath aqueous layers on multiple membrane properties of simulated fiber demyelinations is investigated. Three progressively greater degrees of internodal systematic demyelinations (two mild and one severe termed as ISD1, ISD2 and ISD3, respectively) without/with aqueous layers are simulated using our previous multi-layered model of human motor nerve fiber. The calculated multiple membrane excitability properties are as follows: potentials (intracellular action, electrotonic), strength-duration time constants, rheobasic currents and recovery cycles. They reflect the propagating, accommodative and adaptive processes in the fibers. The results show that all membrane properties, except for the strength-duration time constants and refractoriness, worsen when the myelin lamellae and their corresponding aqueous layers are uniformly reduced along the fiber length. The effect of the aqueous layers is significantly higher on the accommodative and adaptive processes than on the propagating processes in the fibers. Our multi-layered model better approximated some of the functional deficits documented for axons of patients with Charcot-Marie-Tooth disease type 1A. The study provides new and important information on the mechanisms underlying the pathophysiology of hereditary demyelinating neuropathies.

  5. Migration of components from cork stoppers to food: challenges in determining inorganic elements in food simulants. (United States)

    Corona, T; Iglesias, M; Anticó, E


    The inorganic elements potentially migrating from cork to a food simulant [a hydroalcoholic solution containing 12 and 20% (v/v) ethanol] have been determined by means of inductively coupled plasma (ICP) with atomic emission and mass spectrometric detection. The experimental instrumental conditions were evaluated in depth, taking into account spectroscopic and nonspectroscopic interference caused by the presence of ethanol and other components in the sample. We report concentrations ranging from 4 μg kg(-1) for Cd to 28000 μg kg(-1) for Al in the food simulant (concentrations given in kilograms of cork). The values found for Ba, Mn, Fe, Cu, and Zn have been compared with the guideline values stated in EU Regulation 10/2011. In all cases, cork met the general safety criteria applicable to food contact material. Finally, we have proposed water as an alternative to the hydroalcoholic solution to simplify quantification of the tested elements using ICP techniques.

  6. Silver nanoparticle release from commercially available plastic food containers into food simulants

    DEFF Research Database (Denmark)

    Mackevica, Aiga; Olsson, Mikael Emil; Hansen, Steffen Foss


    Silver nanoparticles (AgNPs) are currently being used in many different kinds of consumer products in order to take advantage of their antimicrobial properties. However, the potential migration of silver nanoparticles into food and subsequent consumer exposure has hardly been addressed. In the cu......Silver nanoparticles (AgNPs) are currently being used in many different kinds of consumer products in order to take advantage of their antimicrobial properties. However, the potential migration of silver nanoparticles into food and subsequent consumer exposure has hardly been addressed....... In the current study, we investigated four brands of commercially available plastic food storage containers and measured the total amount of silver, particle size and number concentration, and the migration rates into three different food simulants (Milli-Q grade water, 10 % ethanol, and 3 % acetic acid) for 10...


    Directory of Open Access Journals (Sweden)

    Angelo Fabbri


    Full Text Available In agri-food engineering many complex problems arise in plant and process design. Specifically the designer has to deal with fluid dynamics, thermal or mechanical problems, often characterized by physics coupling, non-linearity, irregular geometry, anisotropy and in definitive rather high complexity. In recent years, the ever growing availability of computational power at low cost, made these problems more often approached with numerical simulation techniques. Mainly in terms of finite elements and finite volumes. In this paper the fundamentals of numerical methods are briefly recalled and a discussion about their possibility of application in the food and agricultural engineering is developed.

  8. Process simulation of CO2 capture with aqueous ammonia using the Extended UNIQUAC model

    DEFF Research Database (Denmark)

    Darde, Victor Camille Alfred; Maribo-Mogensen, Bjørn; van Well, Willy J.M.


    The use of aqueous ammonia is a promising option to capture carbon dioxide from power plants thanks to the potential low heat requirement during the carbon dioxide desorption compared to monoethanolamine (MEA) based process. The patented Chilled Ammonia Process developed by Alstom absorbs carbon...... of the process is necessary.In this work, the performance of the carbon dioxide capture process using aqueous ammonia has been analyzed by process simulation. The Extended UNIQUAC thermodynamic model available for the CO2–NH3–H2O system has been implemented in the commercial simulator Aspen Plus®1 by using...... to be in the same range as the values reported recently for advanced amine processes. Assuming that cold cooling water is available, the electricity consumption remains limited. Hence the Chilled Ammonia Process is a promising option for post combustion carbon dioxide capture....

  9. Simulating food web dynamics along a gradient: quantifying human influence.

    Directory of Open Access Journals (Sweden)

    Ferenc Jordán

    Full Text Available Realistically parameterized and dynamically simulated food-webs are useful tool to explore the importance of the functional diversity of ecosystems, and in particular relations between the dynamics of species and the whole community. We present a stochastic dynamical food web simulation for the Kelian River (Borneo. The food web was constructed for six different locations, arrayed along a gradient of increasing human perturbation (mostly resulting from gold mining activities along the river. Along the river, the relative importance of grazers, filterers and shredders decreases with increasing disturbance downstream, while predators become more dominant in governing eco-dynamics. Human activity led to increased turbidity and sedimentation which adversely impacts primary productivity. Since the main difference between the study sites was not the composition of the food webs (structure is quite similar but the strengths of interactions and the abundance of the trophic groups, a dynamical simulation approach seemed to be useful to better explain human influence. In the pristine river (study site 1, when comparing a structural version of our model with the dynamical model we found that structurally central groups such as omnivores and carnivores were not the most important ones dynamically. Instead, primary consumers such as invertebrate grazers and shredders generated a greater dynamical response. Based on the dynamically most important groups, bottom-up control is replaced by the predominant top-down control regime as distance downstream and human disturbance increased. An important finding, potentially explaining the poor structure to dynamics relationship, is that indirect effects are at least as important as direct ones during the simulations. We suggest that our approach and this simulation framework could serve systems-based conservation efforts. Quantitative indicators on the relative importance of trophic groups and the mechanistic modeling

  10. Simulating food web dynamics along a gradient: quantifying human influence. (United States)

    Jordán, Ferenc; Gjata, Nerta; Mei, Shu; Yule, Catherine M


    Realistically parameterized and dynamically simulated food-webs are useful tool to explore the importance of the functional diversity of ecosystems, and in particular relations between the dynamics of species and the whole community. We present a stochastic dynamical food web simulation for the Kelian River (Borneo). The food web was constructed for six different locations, arrayed along a gradient of increasing human perturbation (mostly resulting from gold mining activities) along the river. Along the river, the relative importance of grazers, filterers and shredders decreases with increasing disturbance downstream, while predators become more dominant in governing eco-dynamics. Human activity led to increased turbidity and sedimentation which adversely impacts primary productivity. Since the main difference between the study sites was not the composition of the food webs (structure is quite similar) but the strengths of interactions and the abundance of the trophic groups, a dynamical simulation approach seemed to be useful to better explain human influence. In the pristine river (study site 1), when comparing a structural version of our model with the dynamical model we found that structurally central groups such as omnivores and carnivores were not the most important ones dynamically. Instead, primary consumers such as invertebrate grazers and shredders generated a greater dynamical response. Based on the dynamically most important groups, bottom-up control is replaced by the predominant top-down control regime as distance downstream and human disturbance increased. An important finding, potentially explaining the poor structure to dynamics relationship, is that indirect effects are at least as important as direct ones during the simulations. We suggest that our approach and this simulation framework could serve systems-based conservation efforts. Quantitative indicators on the relative importance of trophic groups and the mechanistic modeling of eco

  11. Carbon dioxide capture in 2-aminoethanol aqueous solution from ab initio molecular dynamics simulations (United States)

    Kubota, Yoshiyuki; Ohnuma, Toshiharu; Bučko, Tomáš


    The reaction of carbon dioxide (CO2) with aqueous 2-aminoethanol (MEA) has been investigated using both blue moon ensemble and metadynamics approaches combined with ab initio molecular dynamics (AIMD) simulations. The AIMD simulations predicted the spontaneous deprotonation of the intermediate compound, MEA zwitterion, and they were used to study two possible routes for subsequent proton transfer reactions: the formation of the protonated MEA and the formation of MEA carbamic acid. The free-energy curve depicted by blue moon ensemble technique supported the favorable deprotonation of MEA zwitterion. The overall free-energy profile showed the favorable formation of the ionic products of MEA carbamate ion and protonated MEA.

  12. Silver nanoparticle release from commercially available plastic food containers into food simulants

    Energy Technology Data Exchange (ETDEWEB)

    Mackevica, Aiga, E-mail:; Olsson, Mikael Emil; Hansen, Steffen Foss [Technical University of Denmark, Department of Environmental Engineering (Denmark)


    Silver nanoparticles (AgNPs) are currently being used in many different kinds of consumer products in order to take advantage of their antimicrobial properties. However, the potential migration of silver nanoparticles into food and subsequent consumer exposure has hardly been addressed. In the current study, we investigated four brands of commercially available plastic food storage containers and measured the total amount of silver, particle size and number concentration, and the migration rates into three different food simulants (Milli-Q grade water, 10 % ethanol, and 3 % acetic acid) for 10 days at 40 °C. The experimental setup was made according to the European Commission Directive (EU 10/2011) for articles intended to be in contact with food. The total amount of silver in plastic containers and migration solutions was quantified by ICP-MS analysis, and the size of the migrated particles was investigated by single particle ICP-MS and TEM-EDS. The total mass and median size of released particulate Ag were generally highest in 3 % acetic acid for three out of four food container brands. The total content of silver in the containers varied from 13 to 42 µg/g. The highest migration was observed in the 3 % acetic acid food simulant for all four brands of containers, with total silver release up to 3.1 ng/cm{sup 2} after 10 days. In conclusion, the experimental results show that silver has the potential of migrating into food, especially when in contact with more acidic substances.

  13. Monte Carlo simulation of indirect damage to biomolecules irradiated in aqueous solution: The radiolysis of glycylglycine

    Energy Technology Data Exchange (ETDEWEB)

    Bolch, W.E.; Turner, J.E.; Yoshida, H.; Jacobson, K.B.; Hamm, R.N.; Wright, H.A.; Ritchie, R.H.; Klots, C.E.


    A Monte Carlo computer code is developed for simulating the radiolysis of glycylglycine in both oxygenated and deoxygenated aqueous solution. Second, this model is used to calculate the yields of various products in solutions irradiated either by 250-kVp X-rays or by /sup 60/Co gamma rays. Third, calculated product yields are compared to measured yields where available. The Monte Carlo computer codes used in this study are modified and extended versions of three existing simulation codes, written at the Oak Ridge National Laboratory (ORNL), which simulate irradiations of pure liquid water. The ORNL codes calculate the formation, diffusion, and reaction of free radicals and other species along charged-particle tracks in liquid water. As part of this research, these codes are extended to simulate irradiation of pure oxygenated water, oxygenated glycylglycine solutions, and deoxygenated glycylglycine solutions. 80 refs., 38 figs., 8 tabs.

  14. Simulations of mean ionic activity coefficients and solubilities in aqueous electrolyte solutions (United States)

    Panagiotopoulos, Athanassios

    Aqueous electrolyte solutions play an important role in industrial, geochemical and biological applications. The mean ionic activity coefficients quantify the deviation of salt chemical potential from ideal solution behavior; experimental measurements are available for many salts over broad ranges of concentration and temperature, but there have been practically no prior simulation results, because if sampling difficulties for explicit-solvent electrolyte solutions. We have developed a new approach for determination of activity coefficients of aqueous electrolytes. Common fixed-point-charge models for water and ions are unable to reproduce simultaneously activity coefficients and solubilities. Polarizable models perform better, but still predict an incorrect temperature dependence of these properties. Work supported by the U.S. Department of Energy, Office of Basic Energy Science.

  15. Updated evaluation of the migration of styrene monomer and oligomers from polystyrene food contact materials to foods and food simulants. (United States)

    Genualdi, Susan; Nyman, Patricia; Begley, Timothy


    Due to the 2011 labelling of styrene monomer as "reasonably anticipated to be a human carcinogen" by the National Institutes of Health's National Toxicology Program (NTP) and the controversy over whether styrene oligomers mimic the physiological effects of estrogen, an updated review of styrene monomer and oligomers in food and food contact materials (FCMs) was performed. The concentrations of styrene monomer and oligomers were determined in 24 polystyrene (PS) products and ranged from 9.3 to 3100 mg kg(-1) for the styrene monomer, 130-2900 mg kg(-1) for the sum of three styrene dimers, and 220-16,000 mg kg(-1) for the sum of six styrene trimers. Foods in contact with PS packaging had styrene monomer concentrations ranging from 2.6 to 163 ng g(-1); dimer concentrations from the limit of quantitation (LOQ) to 4.8 ng g(-1) and trimer concentrations were all below the LOQ (2 ng g(-1)). Diffusion coefficients (Dp) and partition coefficients (K) were also calculated for styrene dimers and trimers. The results presented here indicate that styrene monomer concentrations in foods have not significantly changed since the 1980s and monomer concentrations in food packaging quantified in this study were all below USFDA limits. Although styrene dimers and trimers are present in higher concentrations in PS FCMs than the monomer, their migration to food is limited because of their high K values (4 × 10(2) to 2 × 10(6)) and their low diffusion coefficients in PS products. Additionally, diffusion coefficients calculated using USFDA-recommended food simulants and Arrhenius plots describing the temperature dependence of styrene dimers and trimers can be used in future calculations of dietary intake of the styrene oligomers.

  16. Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions (United States)

    Sonoda, Milton T.; Elola, M. Dolores; Skaf, Munir S.


    The static dielectric permittivity and dielectric relaxation properties of fructose aqueous solutions of different concentrations ranging from 1.0 to 4.0 mol l-1 are investigated by means of molecular dynamics simulations. The contributions from intra- and interspecies molecular correlations were computed individually for both the static and frequency-dependent dielectric properties, and the results were compared with the available experimental data. Simulation results in the time- and frequency-domains were analyzed and indicate that the presence of fructose has little effect on the position of the fast, high-frequency (>500 cm-1) components of the dielectric response spectrum. The low-frequency (concentration. Our analysis indicates that fructose-fructose and fructose-water interactions strongly affect the rotational-diffusion regime of molecular motions in the solutions. Increasing fructose concentration not only enhances sugar-sugar and sugar-water low frequency contributions to the dielectric loss spectrum but also slows down the reorientational dynamics of water molecules. These results are consistent with previous computer simulations carried out for other disaccharide aqueous solutions.

  17. Finite element simulation of food transport through the esophageal body

    Institute of Scientific and Technical Information of China (English)

    Wei Yang; Tat Ching Fung; Kerm Sim Chian; Chuh Khiun Chong


    The peristaltic transport of swallowed material in the esophagus is a neuro-muscular function involving the nerve control, bolus-structure interaction, and structuremechanics relationship of the tissue. In this study, a finite element model (FEM) was developed to simulate food transport through the esophagus. The FEM consists of three components, i.e., tissue, food bolus and peristaltic wave, as well as the interactions between them. The transport process was simulated as three stages, i.e., the filling of fluid, contraction of circular muscle and traveling of peristaltic wave. It was found that the maximal passive intraluminal pressure due to bolus expansion was in the range of 0.8-10 kPa and it increased with bolus volume and fluid viscosity. It was found that the highest normal and shear stresses were at the inner surface of muscle layer. In addition, the peak pressure required for the fluid flow was predicted to be 1-15 kPa at the bolus tail. The diseases of systemic sclerosis or osteogenesis imperfecta, with the remodeled microstructures and mechanical properties, might induce the malfunction of esophageal transport. In conclusion, the current simulation was demonstrated to be able to capture the main characteristics in the intraluminal pressure and bolus geometry as measured experimentally. Therefore,the finite element model established in this study could be used to further explore the mechanism of esophageal transport in various clinical applications.

  18. Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution from Ab Initio Potential and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    S. Tolosa


    Full Text Available A procedure for the theoretical study of chemical reactions in solution by means of molecular dynamics simulations of aqueous solution at infinite dilution is described using ab initio solute-solvent potentials and TIP3P water model to describe the interactions. The procedure is applied to the study of neutral hydrolysis of various molecules (HCONH2, HNCO, HCNHNH2, and HCOOCH3 via concerted and water-assisted mechanisms. We used the solvent as a reaction coordinate and the free energy curves for the calculation of the properties related with the reaction mechanism, namely, reaction and activation energies.

  19. Antioxidant BHT Modelling Migration from Food Packaging of High Density Polyethylene Plastics into the Food Simulant

    Directory of Open Access Journals (Sweden)

    Chi Haitao


    Full Text Available Made of High Density Polyethylene (HDPE films containing antioxidant 2, 6-di-tert-butyl-p-cresol (BHT, film samples were manufactured by plastic extrusion equipment, 95% ethanol aqueous solution simulating liquid was used for stimulant, using High Performance Liquid Chromatography (HPLC for the long-term migration test of 4 kinds of HDPE films containing different concentrations of antioxidant BHT. The migration data were processed by using Weibull model and then the migration model was specific under experimental conditions. Migration model was setup using the migrating data by Weibull model to fitting real experimental data. Using empirical formula reported FDA model formula and the diffusion coefficient constant D, calculated by the FDA model. Two kinds of model numerical after compared according to FDA model transfer numerical literature that is far lower than the actual test migration value. According to the actual test migration value, Weibull model numerical and experimental tests that the migration software fitting values are consistent.

  20. A multistate empirical valence bond model for solvation and transport simulations of OH- in aqueous solutions. (United States)

    Ufimtsev, Ivan S; Kalinichev, Andrey G; Martinez, Todd J; Kirkpatrick, R James


    We describe a new multistate empirical valence bond (MS-EVB) model of OH(-) in aqueous solutions. This model is based on the recently proposed "charged ring" parameterization for the intermolecular interaction of hydroxyl ion with water [Ufimtsev, et al., Chem. Phys. Lett., 2007, 442, 128] and is suitable for classical molecular simulations of OH(-) solvation and transport. The model reproduces the hydration structure of OH(-)(aq) in good agreement with experimental data and the results of ab initio molecular dynamics simulations. It also accurately captures the major structural, energetic, and dynamic aspects of the proton transfer processes involving OH(-) (aq). The model predicts an approximately two-fold increase of the OH(-) mobility due to proton exchange reactions.

  1. Enhancing food engineering education with interactive web-based simulations

    Directory of Open Access Journals (Sweden)

    Alexandros Koulouris


    Full Text Available In the traditional deductive approach in teaching any engineering topic, teachers would first expose students to the derivation of the equations that govern the behavior of a physical system and then demonstrate the use of equations through a limited number of textbook examples. This methodology, however, is rarely adequate to unmask the cause-effect and quantitative relationships between the system variables that the equations embody. Web-based simulation, which is the integration of simulation and internet technologies, has the potential to enhance the learning experience by offering an interactive and easily accessible platform for quick and effortless experimentation with physical phenomena.This paper presents the design and development of a web-based platform for teaching basic food engineering phenomena to food technology students. The platform contains a variety of modules (“virtual experiments” covering the topics of mass and energy balances, fluid mechanics and heat transfer. In this paper, the design and development of three modules for mass balances and heat transfer is presented. Each webpage representing an educational module has the following features: visualization of the studied phenomenon through graphs, charts or videos, computation through a mathematical model and experimentation.  The student is allowed to edit key parameters of the phenomenon and observe the effect of these changes on the outputs. Experimentation can be done in a free or guided fashion with a set of prefabricated examples that students can run and self-test their knowledge by answering multiple-choice questions.

  2. Molecular Modeling and Monte Carlo Simulation of Concentrated Aqueous Alkali Halide Solutions at 25 C. (United States)

    Llano-Restrepo, Mario Andres

    A study of concentrated aqueous alkali halide solutions is made at the molecular level, through modeling and computer simulation of their structural and thermodynamic properties. It is found that the HNC approximation is the best integral equation theory to predict such properties within the framework of the primitive model (PM). The intrinsic limitations of the PM in describing ionic association and hydration effects are addressed and discussed in order to emphasize the need for explicitly including the water molecules in the treatment of aqueous electrolyte solutions by means of a civilized model (CM). As a step toward developing a CM as simple as possible, it is shown that a modified version of the SPC model of liquid water in which the Lennard-Jones interaction between intermolecular oxygen sites is replaced by a hard core interaction, is still successful enough to predict the degree of hydrogen bonding of real water. A simple civilized model (SCM) (in which the ions are treated as hard spheres interacting through Coulombic potentials and the water molecules are simulated using the simplified SPC model) is introduced in order to study the changes in the structural features of various aqueous alkali halide solutions upon varying both the concentration and the size of the ions. Both cations and anions are found to be solvated by the water molecules at expense of a breakdown in the hydrogen-bonded water network. Hydration numbers are reported for the first time for NaBr and KBr, and the first simulation -based estimates for LiBr, NaI and KI are also obtained. In several cases, values of the hydration numbers based on the SCM are found to be in excellent agreement with available experimental results obtained from x-ray diffraction measurements. Finally, it is shown that a neoprimitive model (NPM) can be developed by incorporating some of the structural features seen in the SCM into the short-range part of the PM interionic potential via a shielded square well whose

  3. Atomistic Simulations of Functional Au-144(SR)(60) Gold Nanoparticles in Aqueous Environment

    DEFF Research Database (Denmark)

    Heikkila, E.; Gurtovenko, A. A.; Martinez-Seara, H.


    Charged monolayer-protected gold nanoparticles (AuNPs) have been studied in aqueous solution by performing atomistic molecular dynamics simulations at physiological temperature (310 K). Particular attention has been paid to electrostatic properties that modulate the formation of a complex comprised...... of the nanoparticle together with surrounding ions and water. We focus on Au-144 nanoparticles that comprise a nearly spherical Au core (diameter similar to 2 nm), a passivating Au-S interface, and functionalized alkanethiol chains. Cationic and anionic AuNPs have been modeled with amine and carboxyl terminal groups...... potential displays a minimum for AuNP- at 1.9 nm from the center of the nanoparticle, marking a preferable location for Na+, while the AuNP+ potential (affecting the distribution of Cl-) rises almost monotonically with a local maximum. Comparison to Debye-Huckel theory shows very good agreement for radial...

  4. Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Rustad, J.R.; Hay, B.P. (Pacific Northwest Laboratory, MSIN K6-82, Richland, Washington 99352 (United States)); Halley, J.W. (School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455 (United States))


    A simple potential model is described which allows molecular dynamics simulations to be performed for ferric iron ions in dissociating aqueous solutions. The model was parametrized by fitting the polarizable dissociating water model of Halley [ital et] [ital al]. [J. Chem. Phys. [bold 98], 4110 (1993)] to a single water molecule--ferric iron ion potential energy surface taken from the work of Curtiss [ital et] [ital al]. [J. Chem. Phys. [bold 86], 2319 (1987)]. The model gives very good results for the structure of the solvated hexaaqua iron(III) complex; the proper coordination number of 6 was obtained when the Fe--O interaction was fit directly to the [ital ab] [ital initio] calculations without further modification. The model produces adequate results for the first hydrolysis constant, but breaks down for the second hydrolysis constant, which is overestimated by 18 kcal/mol.

  5. In-cloud processes of methacrolein under simulated conditions – Part 1: Aqueous phase photooxidation

    Directory of Open Access Journals (Sweden)

    A. Monod


    Full Text Available The photooxidation of methacrolein was studied in the aqueous phase under simulated cloud droplet conditions. The obtained rate constant of OH-oxidation of methacrolein at 6°C in unbuffered solutions was 5.8 (±0.9×109 M−1 s−1. This kinetic study showed that the oxidation proceeds mainly by OH-addition on the C=C bond. This was confirmed by the mechanism established on the study of the reaction products (at 25°C in unbuffered solutions where methylglyoxal, formaldehyde, hydroxyacetone and acetic acid/acetate were the main reaction products. An upper limit for the total carbon yield was estimated to range from 53 to 85%, indicating that some reaction products remain unidentified. A possible source of this mismatch is the formation of higher molecular weight compounds as primary reaction products which are presented in El Haddad et al. (2009 and Michaud et al. (2009.

  6. Photodegradation of 2,4-Dichlorophenol in Aqueous Systems under Simulated and Natural Sunlight

    Directory of Open Access Journals (Sweden)

    Dorota Gryglik


    Full Text Available The work presents results of studies on 2,4-dichlorophenol (2,4-DCP degradation in aqueous solutions using photochemically initiated processes by simulated and natural sunlight. A number of possible substrate photodegradation routes were investigated, by both direct photolysis and photosensitized oxidation process. The major role of singlet oxygen in 2,4-DCP photodegradation was proved. Rose Bengal and derivatives of porphine and phthalocyanine were used as sensitizers. The influences of various process parameters on the reaction rate were investigated. On the basis of experimental data reaction rate constants of 2,4-DCP photosensitized oxidation were determined. The possibility of using natural sunlight to degrade 2,4-DCP in water in the middle latitudes was stated. The acute toxicity bioassay was conducted with the marine bacterium Vibrio fischeri as a bioluminescent indicator. The obtained results encourage further research on this process.

  7. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions (United States)

    Olivieri, Giorgia; Parry, Krista M.; Powell, Cedric J.; Tobias, Douglas J.; Brown, Matthew A.


    Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the vapor (vacuum)-aqueous electrolyte interface. These experiments are often paired with complementary molecular dynamics (MD) simulations in an attempt to provide a complete description of the liquid interface. There is, however, no systematic protocol that permits a straightforward comparison of the two sets of results. XPS is an integrated technique that averages signals from multiple layers in a solution even at the lowest photoelectron kinetic energies routinely employed, whereas MD simulations provide a microscopic layer-by-layer description of the solution composition near the interface. Here, we use the National Institute of Standards and Technology database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to quantitatively interpret atom-density profiles from MD simulations for XPS signal intensities using sodium and potassium iodide solutions as examples. We show that electron inelastic mean free paths calculated from a semi-empirical formula depend strongly on solution composition, varying by up to 30% between pure water and concentrated NaI. The XPS signal thus arises from different information depths in different solutions for a fixed photoelectron kinetic energy. XPS signal intensities are calculated using SESSA as a function of photoelectron kinetic energy (probe depth) and compared with a widely employed ad hoc method. SESSA simulations illustrate the importance of accounting for elastic-scattering events at low photoelectron kinetic energies (hoc method systematically underestimates the preferential enhancement of anions over cations. Finally, some technical aspects of applying SESSA to liquid interfaces are discussed.

  8. Molecular dynamics simulation of the electrokinetic flow of an aqueous electrolyte solution in nanochannels

    CERN Document Server

    Yoshida, Hiroaki; Kinjo, Tomoyuki; Washizu, Hitoshi; Barrat, Jean-Louis


    Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and pressure fields, namely the coefficients for the electrical current in response to the electric field ($M^{jj}$) and the pressure field ($M^{jm}$), and those for the mass flow in response to the same fields ($M^{mj}$ and $M^{mm}$), are obtained in the linear regime using a Green-Kubo approach. Nonequilibrium simulations with explicit external fields are also carried out, and the current and mass flows are directly obtained. The two methods exhibit good agreement even for large external field strengths, and Onsager's reciprocal relation ($M^{jm} = M^{mj}$) is numerically confirmed in both approaches. The influence of the surface charge density on the flow is also considered. The values of the trans- port coefficients are found to be smaller for larger surface charge density, be...

  9. Simulation modelling for food supply chain redesign; integrated decision making on product quality, sustainability and logistics

    NARCIS (Netherlands)

    van der Vorst, J.G.A.J.; Tromp, S.O.; van der Zee, D.J.


    Food supply chains are confronted with increased consumer demands on food quality and sustainability. When redesigning these chains the analysis of food quality change and environmental load of new scenarios is as important as the analysis of efficiency and responsiveness requirements. Simulation to

  10. Do consumers prefer foods with nutrition and health claims? Results of a purchase simulation

    DEFF Research Database (Denmark)

    Aschemann-Witzel, Jessica; Hamm, U.


    This contribution reports findings of a close-to-realistic purchase simulation for foods labelled with nutrition and health claims. The results show that products with a claim are clearly preferred, but that the determining factors of choice differ between the food categories. Choice was positive...... effects for different food categories. Further determinants which exercised a positive influence were product involvement, health-related food involvement, extent of information search and the presumption that the claim is scientifically proven....

  11. Measurement of Uncertainty for Aqueous Ethanol Wet-Bath Simulator Solutions Used with Evidential Breath Testing Instruments. (United States)

    Hwang, Rong-Jen; Beltran, Jada; Rogers, Craig; Barlow, Jeremy; Razatos, Gerasimos


    Aqueous ethanol wet-bath simulator solutions are used to perform calibration adjustments, calibration checks, proficiency testing, and inspection of breath alcohol instruments. The Toxicology Bureau of the New Mexico Department of Health has conducted a study to estimate a measurement of uncertainty for the preparation and testing of these wet-bath simulator solutions. The measurand is identified as the mass concentration of ethanol (g/100 mL) determined through dual capillary column headspace gas chromatography with flame ionization detector analysis. Three groups were used in the estimation of the aqueous ethanol wet-bath simulator solutions uncertainty: GC calibration adjustment, GC analytical, and certified reference material. The standard uncertainties for these uncertainty sources were combined using the method of root-sum-squares to give uc = 0.8598%. The combined standard uncertainty was expanded to U = 1.7% to reflect a confidence level of 95% using a coverage factor of 2. This estimation applies to all aqueous ethanol wet-bath simulator solution concentrations produced by this laboratory.

  12. Effects of Imagined Consumption and Simulated Eating Movements on Food Intake: Thoughts about Food are not Always of Advantage.

    Directory of Open Access Journals (Sweden)

    Simona Haasova


    Full Text Available Imagined food consumption is a method of elaborately imagining oneself eating a specific food that, when repeated 30 times, has been shown to decrease subsequent intake of the same food. The technique relies on a memory-based habituation process when behavioral and motivational responses to a stimulus decrease after its repeated presentation. Thus, repeatedly imagining food consumption leads to food-specific habituation effects. Large numbers of imagined consumption repetitions are effortful and time consuming and can be problematic when applied in interventions with the goal of reducing food intake. In the present study, we assessed the efficacy of the technique at smaller numbers of repetitions while testing motor simulation as a potential facilitator of the habituation-based consumption-reduction effect. 147 participants imagined eating chocolate pudding 15 or 3 consecutive times and simultaneously performed either facilitating or not-facilitating eating movements. Results showed that participants who imagined eating the chocolate pudding 15 times (M15 = 178.20, SD15 = 68.08 ate more of the pudding than those who imagined consuming it 3 times (M3 = 150.73, SD3 = 73.31. The nature of the motor movements that were performed did not impact this effect. The data suggest that the imagined food consumption technique can result in an unexpected increase in food consumption, when smaller numbers of imagination repetitions are performed.

  13. Effects of Imagined Consumption and Simulated Eating Movements on Food Intake: Thoughts about Food Are Not Always of Advantage. (United States)

    Haasova, Simona; Elekes, Botond; Missbach, Benjamin; Florack, Arnd


    Imagined food consumption is a method of elaborately imagining oneself eating a specific food that, when repeated 30 times, has been shown to decrease subsequent intake of the same food. The technique relies on a memory-based habituation process when behavioral and motivational responses to a stimulus decrease after its repeated presentation. Thus, repeatedly imagining food consumption leads to food-specific habituation effects. Large numbers of imagined consumption repetitions are effortful and time consuming and can be problematic when applied in interventions with the goal of reducing food intake. In the present study, we assessed the efficacy of the technique at smaller numbers of repetitions while testing motor simulation as a potential facilitator of the habituation-based consumption-reduction effect. 147 participants imagined eating chocolate pudding 15 or 3 consecutive times and simultaneously performed either facilitating or not-facilitating eating movements. Results showed that participants who imagined eating the chocolate pudding 15 times (M15 = 178.20, SD15 = 68.08) ate more of the pudding than those who imagined consuming it 3 times (M3 = 150.73, SD3 = 73.31). The nature of the motor movements that were performed did not impact this effect. The data suggest that the imagined food consumption technique can result in an unexpected increase in food consumption, when smaller numbers of imagination repetitions are performed.

  14. Molecular simulation of the diffusion of uranyl carbonate species in aqueous solution (United States)

    Kerisit, Sebastien; Liu, Chongxuan


    Potential-based molecular dynamics simulations of aqueous uranyl carbonate species (M xUO 2(CO 3) y2+2x-2y with M = Mg, Ca, or Sr) were carried out to gain molecular-level insight into the hydration properties of these species. The simulation results were used to estimate the self-diffusion coefficients of these uranyl carbonate species, which often dominate uranyl speciation in groundwater systems. The diffusion coefficients obtained for the monoatomic alkaline-earth cations and polyatomic ions (uranyl, carbonate, and uranyl tri-carbonate) were compared with those calculated from the Stokes-Einstein (SE) equation and its variant formulation by Impey et al. (1983). Our results show that the equation of Impey et al. (1983), originally formulated for monovalent monoatomic ions, can be extended to divalent monoatomic ions, with some success in reproducing the absolute values and the overall trend determined from the molecular dynamics simulations, but not to polyatomic ions, for which the hydration shell is not spherically symmetrical. Despite the quantitative failure of both SE formulations, a plot of the diffusion coefficients of the uranyl carbonate complexes as a function of the inverse of the equivalent spherical radius showed that a general linear dependence is observed for these complexes as expected from the SE equation. The nature of the alkaline-earth cation in the uranyl carbonate complexes was not found to have a significant effect on the ion's diffusion coefficient, which suggests that the use of a single diffusion coefficient for different alkaline-earth uranyl carbonate complexes in microscopic diffusion models is appropriate. The potential model reproduced well published quantum mechanical and experimental data of UO(CO)32x-4 and of the individual constituent ions, and therefore is expected to offer reliable predictions of the structure of magnesium and strontium uranyl carbonate aqueous species, for which there is no structural data available to date

  15. Molecular dynamics computer simulation studies of aqueous solutions in clusters, in bulk, and at interfaces (United States)

    Yeh, In-Chul


    This dissertation investigates the structural and dynamical properties of aqueous solutions in clusters, in bulk, and at interfaces using molecular dynamics computer simulations. First, the photodetachment spectra of Cl- (H 2O)n (n = 2,3,...15) clusters have been calculated. The dependence of the spectra on the variations in the temperature of the clusters, the potential parameter for the postejected ion, and the type of the potential (pair-wise non-polarizable vs. many-body polarizable) has been investigated. Next, I have compared structural and dynamical properties of bulk water calculated by the simple point charge (SPC) and extended simple point charge (SPC/E) models. Tetrahedral network in SPC water is found to be weaker than those in SPC/E water due to smaller point charges, resulting in a larger self-diffusion coefficient. As a model interfacial system, I discuss the structure of water next to metal surfaces: Pt(100) and Pt(111). The two dimensional Ewald summation technique has been used for the calculation of long range Coulombic forces. Water next to an uncharged metallic surface is perturbed to a distance of 1 nm. Next to the charged surface water is reorienting and when the external field is strong, undergoes a layering transition. The dielectric constant of water as a function of electric fields has been also calculated. Simulations of water between walls and bulk water have been done to confirm the macroscopic nature of the dielectric constant. Calculated dielectric constants have been compared with those obtained by a theoretical prediction and a recent simulation study. Distance dependent density profiles of water near charged Ag(111) surfaces have been calculated and compared with experimental profiles. The effect of ionic screening is accounted for by an exponetially decaying electric field. Finally, I propose a modification in the three dimensional Ewald summation technique for calculations of long-range Coulombic forces for systems with a slab

  16. Quantum dynamical simulation of non-adiabatic proton transfers in aqueous solution methodology, molecular models and applications

    CERN Document Server

    Billeter, S R


    This thesis describes the methodology of quantum dynamical (QD) simulation of proton transfers in aqueous solutions, its implementation in the simulation program QDGROMOS and its application to protonated water and aqueous solutions of acetic acid. QDGROMOS is based on the GROMOS96 molecular dynamics (MD) program package. Many of the solutions to partial problems such as the representation of the quantum state, the solution of the time-dependent Schrodinger equation, the forces from the quantum subsystem, the time-ordering of the propagations and the correlations between the subsystems, are complementary. In chapter 1, various numerical propagation algorithms for solving the time-dependent Schrodinger equation under the influence of a constant Hamilton operator are compared against each other, mainly in one dimension. A Chebysheff series expansion and the expansion in terms of eigenstates of the Hamilton operator were found to be most stable. Chapter 2 describes the theory, the methods and the algorithms of Q...

  17. Conformations of Carnosine in Aqueous Solutions by All-Atom Molecular Dynamics Simulations and 2D-NOSEY Spectrum

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Dan Wang; Wen-juan Wu


    All-atom molecular simulations and two-dimensional nuclear overhauser effect spectrum have been used to study the conformations of carnosine in aqueous solution.Intramolecular distances,root-mean-square deviation,radius of gyration,and solvent-accessible surface are used to characterize the properties of the carnosine.Carnosine can shift between extended and folded states,but exists mostly in extended state in water.Its preference for extension in pure water has been proven by the 2D nuclear magnetic resonance (NMR) experiment.The NMR experimental results are consistent with the molecular dynamics simulations.

  18. Migrating behaviors of phthalates from food packing materials to simulant food%食品包装材料中邻苯二甲酸酯向食品模拟物中的迁移规律

    Institute of Scientific and Technical Information of China (English)

    曾云想; 梁婷婷; 汤明河; 刘小平


    采用超高效液相-串联质谱法(UPLC-MS/MS)对不同温度、时间条件下的16种邻苯二甲酸酯(PAEs)从食品包装材料中向水性、酸性、酒性与脂肪性食品模拟物中的迁移律进行研究。结果表明:在食品模拟物富集浓度30μg/mL,富集时间6 h条件下,PAEs富集最佳。其中PAEs在不同食品模拟物中迁移率为:脂肪性>酒性>酸性>水性;在同一种食品模拟物条件下,随着迁移时间增长和温度增加都有助于PAEs迁移速率提高;同时,同一性质食品模拟液在同一温度条件下,随着分子链长逐步增长,相对分子质量依次增大,迁移率基本呈逐渐降低趋势。%The migration of 16 phthalate esters ( PAEs) from food packaging materials to aqueous, acidic, alcoholic and fatty food stimulants under different temperatures and different times was investigated by UPLC-MS/MS. The results sug﹣gested thatthe best enrichment of PAEs was under the conditions of 30μg/mL food simulant and 6hours (h) oftime.The migration of phthalate esters in different food stimulantswere in the order of:fatty food>alcoholic food>acidic food>aqueous food.Inthe same food simulant, the rate of the PAEs migration increases with the increase of time and the temperature.In the same food stimulant and same temperature conditions, the rate of migration is gradually decreased along with the grad﹣ual increase of the molecular chain length and relative molecular mass.

  19. Influence of hydration and starch digestion on the transient rheology of an aqueous suspension of comminuted potato snack food. (United States)

    Boehm, Michael W; Warren, Frederick J; Moore, Jackson E; Baier, Stefan K; Gidley, Michael J; Stokes, Jason R


    Oral processing of most foods is inherently destructive: solids are broken into particles before reassembly into a hydrated bolus while salivary enzymes degrade food components. In order to investigate the underlying physics driving changes during oral processing, we capture the transient rheological behaviour of a simulated potato chip bolus during hydration by a buffer with or without α-amylase. In the absence of amylase and for all oil contents and solids weight fractions tested, we find a collapse of the transient data when graphed according to simple Fickian diffusion. In the presence of amylase, we find effects on the transient and pseudo steady state bolus rheology. Within the first minute of mixing, the amylase degrades only ≈6% of the starch but that leads to an order of magnitude reduction in the bolus elasticity, as compared to the case without amylase. Thus, for an in vitro bolus, only a small amount of starch needs to be digested to have a large impact on the bolus rheology very soon after mixing.

  20. Recovery of metals from simulant spent lithium-ion battery as organophosphonate coordination polymers in aqueous media. (United States)

    Perez, Emilie; Andre, Marie-Laure; Navarro Amador, Ricardo; Hyvrard, François; Borrini, Julien; Carboni, Michaël; Meyer, Daniel


    An innovative approach is proposed for the recycling of metals from a simulant lithium-ion battery (LIBs) waste aqueous solution. Phosphonate organic linkers are introduced as precipitating agents to selectively react with the metals to form coordination polymers from an aqueous solution containing Ni, Mn and Co in a hydrothermal process. The supernatant is analyzed by ICP-AES to quantify the efficiency and the selectivity of the precipitation and the materials are characterized by Scanning Electron Microscopy (SEM), Powder X-Ray Diffraction (PXRD), Thermogravimetric Analyses (TGA) and nitrogen gas sorption (BET). Conditions have been achieved to selectively precipitate Manganese or Manganese/Cobalt from this solution with a high efficiency. This work describes a novel method to obtain potentially valuable coordination polymers from a waste metal solution that can be generalized on any waste solution.

  1. Phase behavior and molecular dynamics simulation studies of new aqueous two-phase separation systems induced by HEPES buffer. (United States)

    Taha, Mohamed; Khoiroh, Ianatul; Lee, Ming-Jer


    Here, for the first time, we show that with addition of a biological buffer, 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES), into aqueous solutions of tetrahydrofuran (THF), 1,3-dioxolane, 1,4-dioxane, 1-propanol, 2-propanol, tert-butanol, acetonitrile, or acetone, the organic solvent can be excluded from water to form a new liquid phase. The phase diagrams have been determined at ambient temperature. In order to understand why and how a zwitterion solute (HEPES) induced phase separation of the investigated systems, molecular dynamics (MD) simulation studies are performed for HEPES + water + THF system. The MD simulations were conducted for the aqueous mixtures with 12 different compositions. The reliability of the simulation results of HEPES in pure water and beyond the phase separation mixtures was justified by comparing the densities obtained from MD with the experimental values. The simulation results of HEPES in pure THF and in a composition inside the phase separation region were justified qualitatively. Interestingly, all HEPES molecules entirely aggregated in pure THF. This reveals that HEPES is insoluble in pure THF, which is consistent with the experimental results. Even more interestingly, the MD simulation for the mixture with composition inside the phase separation region showed the formation of two phases. The THF molecules are squeezed out from the water network into a new liquid phase. The hydrogen bonds (HBs), HB lifetime, HB Gibbs energy (ΔG), radial distribution functions (RDFs), coordination numbers (CNs), electrostatic interactions, and the van der Waals interactions between the different species have been analyzed. Further, MD simulations for the other phase separation systems by choosing a composition inside the two liquids region for each system were also simulated. Our findings will therefore pave the way for designing new benign separation auxiliary agents.

  2. Assessment of the migration potential of nanosilver from nanoparticle-coated low-density polyethylene food packaging into food simulants. (United States)

    Hannon, Joseph Christopher; Kerry, Joseph P; Cruz-Romero, Malco; Azlin-Hasim, Shafrina; Morris, Michael; Cummins, Enda


    An experimental nanosilver-coated low-density polyethylene (LDPE) food packaging was incubated with food simulants using a conventional oven and tested for migration according to European Commission Regulation No. 10/2011. The commercial LDPE films were coated using a layer-by-layer (LbL) technique and three levels of silver (Ag) precursor concentration (0.5%, 2% and 5% silver nitrate (AgNO3), respectively) were used to attach antimicrobial Ag. The experimental migration study conditions (time, temperature and food simulant) under conventional oven heating (10 days at 60°C, 2 h at 70°C, 2 h at 60°C or 10 days at 70°C) were chosen to simulate the worst-case storage period of over 6 months. In addition, migration was quantified under microwave heating. The total Ag migrant levels in the food simulants were quantified by inductively coupled plasma-atomic emission spectroscopy (ICP-AES). Mean migration levels obtained by ICP-AES for oven heating were in the range 0.01-1.75 mg l(-1). Migration observed for microwave heating was found to be significantly higher when compared with oven heating for similar temperatures (100°C) and identical exposure times (2 min). In each of the packaging materials and food simulants tested, the presence of nanoparticles (NPs) was confirmed by scanning electron microscopy (SEM). On inspection of the migration observed under conventional oven heating, an important finding was the significant reduction in migration resulting from the increased Ag precursor concentration used to attach Ag on the LDPE LbL-coated films. This observation merits further investigation into the LbL coating process used, as it suggests potential for process modifications to reduce migration. In turn, any reduction in NP migration below regulatory limits could greatly support the antimicrobial silver nanoparticle (AgNP)-LDPE LbL-coated films being used as a food packaging material.

  3. The Virtual Foodscape Simulator--gaming, designing and measuring food behaviour in created food realities

    DEFF Research Database (Denmark)

    Mikkelsen, Bent Egberg; Høeg, ER; Mangano, L


    be reduced significantly. Being able to design food-oriented virtual environments e.g. in retail-/ buffet-environments, is convenient and furthermore has monetary benefits. Using virtual reality in shopping as well as in research of shopping behaviour is not a new phenomenon. It is increasingly being used...... commercially to allow consumers to shop virtually as well as in research to investigate different pricing strategies as a tool to stimulate healthier food choices (Waterlander, 2014). The virtual approach offers obvious advantages compared to reality. One of the most prominent advantages is the possibility...... to devise and simultaneously test multiple changes to supermarket settings, without any investments, physical efforts and interference. In addition, educating young people and citizens about food choice and healthy shopping and eating in a virtual setting opens new avenues for game-based nutrition...

  4. Simulation of phenomena occurring during digestion of foods (United States)

    Bakalis, Serafim; Jaime-Fonseca, Monica R.; Fryer, Peter


    The increasing incidence of dietary related diseases, such as obesity and diabetes, emphasize the importance to understand digestion and absorption of nutrients and to develop models that could be able to predict the food behavior through the gastrointestinal tract. In order to achieve this, an in vitro Small Intestine Model (SIM) was used to build starch digestion and glucose absorption as function of food viscosity. The effect of mixing and food formulation was evaluated and correlated to changes on glucose absorption. Significant differences on glucose delivery rates were found between the control and fluids containing viscous biopolymers. Results showed that the segmentation motion significantly increases (up to 30%) glucose rate of absorption across the membrane and that the influence of segmentation decreases as viscosity increases. Furthermore, it has been demonstrated that addition of about 0.5 % (w/v) guar gum can result in a threefold decrease of absorption rate and mass transfer. Velocity fields obtained using Computational Fluid Dynamics (CFD) showed the effect of segmentation on nutrients absorption. Velocities profiles indicated that concentric contractions results in an increasing of micromixing and thus enhances mass transfer. This in vitro behaviour could be correlated within blood glucose levels in humans to understand the mechanisms by which biopolymers improves glucose tolerance.

  5. High-performance liquid chromatography - Ultraviolet method for the determination of total specific migration of nine ultraviolet absorbers in food simulants based on 1,1,3,3-Tetramethylguanidine and organic phase anion exchange solid phase extraction to remove glyceride. (United States)

    Wang, Jianling; Xiao, Xiaofeng; Chen, Tong; Liu, Tingfei; Tao, Huaming; He, Jun


    The glyceride in oil food simulant usually causes serious interferences to target analytes and leads to failure of the normal function of the RP-HPLC column. In this work, a convenient HPLC-UV method for the determination of the total specific migration of nine ultraviolet (UV) absorbers in food simulants was developed based on 1,1,3,3-tetramethylguanidine (TMG) and organic phase anion exchange (OPAE) SPE to efficiently remove glyceride in olive oil simulant. In contrast to the normal ion exchange carried out in an aqueous solution or aqueous phase environment, the OPAE SPE was performed in the organic phase environments, and the time-consuming and challenging extraction of the nine UV absorbers from vegetable oil with aqueous solution could be readily omitted. The method was proved to have good linearity (r≥0.99992), precision (intra-day RSD≤3.3%), and accuracy(91.0%≤recoveries≤107%); furthermore, the lower limit of quantifications (0.05-0.2mg/kg) in five types of food simulants(10% ethanol, 3% acetic acid, 20% ethanol, 50% ethanol and olive oil) was observed. The method was found to be well suited for quantitative determination of the total specific migration of the nine UV absorbers both in aqueous and vegetable oil simulant according to Commission Regulation (EU) No. 10/2011. Migration levels of the nine UV absorbers were determined in 31 plastic samples, and UV-24, UV-531, HHBP and UV-326 were frequently detected, especially in olive oil simulant for UV-326 in PE samples. In addition, the OPAE SPE procedure was also been applied to efficiently enrich or purify seven antioxidants in olive oil simulant. Results indicate that this procedure will have more extensive applications in the enriching or purification of the extremely weak acidic compounds with phenol hydroxyl group that are relatively stable in TMG n-hexane solution and that can be barely extracted from vegetable oil.

  6. Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex-ab initio molecular dynamics simulations. (United States)

    Canaval, Lorenz R; Hadisaputra, Saprizal; Hofer, Thomas S


    Ab initio QMCF-MD simulations of aqueous 18-crown-6 (18C6) and strontium(II)-18-crown-6 (18C6-Sr) were performed to gather insight into their hydration properties. Strongly different characteristics were found for the two solutes in terms of structure and dynamics such as H-bonding. They, however, have in common that their backbone shows high flexibility in aqueous medium, adopting structures significantly differing from idealized gas phase geometries. In particular, planar oxyethylene units stable in the picosecond range occurred in 18C6, while the strontium complex readily exhibits a bent structure. Detailed analysis of this high flexibility was done via two dimensional root mean square deviation plots as well as the evolution of dihedral angles and angles within the simulation trajectory. The vibrational spectra obtained from the QMCF-MD simulations are in excellent agreement with experimental data and show a pronounced blueshift upon complexation of the strontium(II) ion in 18C6.

  7. First-principles molecular dynamics simulations of NH4(+) and CH3COO(-) adsorption at the aqueous quartz interface. (United States)

    Wright, Louise B; Walsh, Tiffany R


    The ability to exert molecular-level control at the aqueous interface between biomolecules and inorganic substrates is pivotal to advancing applications ranging from sustainable manufacturing to targeted therapeutics. Progress is hindered by a lack of structural information of these interfaces with atomic resolution. Molecular simulation is one approach to obtain such data, but can be limited by the reliability of the force-field used. First-principles simulations, in principle, can provide insights into such aqueous interfaces, but are resource-intensive, limiting previous first-principles studies to approximate the environment of liquid water. Here, we use Car-Parrinello simulations to investigate adsorption of two charged adsorbates that are functional groups common to all amino-acids--ethanoate and ammonium--at the interface between hydroxylated quartz and liquid water, directly incorporating full solvation effects at the interface. Our findings reveal the stable character of carboxylate-quartz binding, as well as the surprisingly indifferent nature of ammonium-quartz interactions, in liquid water.

  8. Evaluation of Long-Term Migration Testing from Can Coatings into Food Simulants: Polyester Coatings. (United States)

    Paseiro-Cerrato, Rafael; Noonan, Gregory O; Begley, Timothy H


    FDA guidance for food contact substances recommends that for food packaging intended for use at sterilized, high temperature processed, or retorted conditions, a migration test with a retort step at 121 °C for 2 h followed by a 10 day migration test at 40 °C should be performed. These conditions are in intended to simulate processing and long-term storage. However, can coatings may be in contact with food for years, and there are very few data evaluating if this short-term testing accurately simulates migration over extended time periods. A long-term migration test at 40 °C with retorted and non-retorted polyester cans using several food simulants (water, 3% acetic acid, 10% ethanol, 50% ethanol, and isooctane) was conducted to verify whether traditional migration testing protocols accurately predict migration from food contact materials used for extended time periods. Time points were from 1 day to 515 days. HPLC-MS/MS was used to analyze polyester monomers, and oligomer migration was monitored using HPLC-DAD/CAD and HPLC-MS. Concentrations of monomers and oligomers increased during the migration experiments, especially in ethanol food simulants. The data suggest that current FDA migration protocols may need to be modified to address changes in migrants as a result of long-term storage conditions.

  9. Molecular dynamics simulation study on zwitterionic structure to maintain the natural behavior of polyalanine13 in aqueous environment

    Institute of Scientific and Technical Information of China (English)


    Molecular dynamics simulations are applied to the initial stage of polyalanine13 conformational transition from α-helix to random coil in aqueous environment and the interaction of polyalanine13 with zwitterionic and hydrophobic surfaces respectively in the same condition. The analysis of secondary structure, hydrogen bonds, RMSD, dihedral distribution, and the degree of adsorption are performed. The results show that zwitterionic structure maintains the natural behavior of polyalanine13 in water to a better extent, which should be an indirect proof of the hypothesis of "maintain of normal structure."

  10. Effects of food ecology on social play: a laboratory simulation. (United States)

    Baldwin, J D; Baldwin, J I


    A laboratory group of 8 squirrel monkeys was exposed to two experimental conditions in which food was made moderately and extremely difficult to obtain, compared with the free access conditions of baseline. Both experiments produced sharp decreased in the frequency of social play within 4 to 6 days. The stronger manipulation produced the more dramatic effect, reducing play to 1% of the baseline level (P less than .001). Neither experiment produced a total absence of play as was observed in a previous field study in southwestern Panama (Baldwin and Baldwin 1973, 1974) which suggests that the field study sampled conditions of even more severe and/or prolonged food deprivation. No pathological or dysfunctional consequences were observed in any of the circumstances where play was reduced to zero or near zero. The question is raised whether certain theories of play have overstated the case for the necessity of play experience in producing normal socialization in primates. Alternative hypotheses are presented concerning the factors that determine the frequency of play and the consequences of play versus no-play for socialization. After both experiments, the frequency of play rose to a level 50% higher than the average baseline levels of play. This "rebound" reached a peak 5 to 6 days after the termination of each experiment; and during the subsequent days the frequency of play declined to more normal levels. A reinforcement theory is presented as a possible explanation of the rebound effect.

  11. Simulation on an aqueous solution of Calcium Carbonate%碳酸钙水溶液的模拟研究

    Institute of Scientific and Technical Information of China (English)

    游秀芬; 张雪峰; 游小嘉


    选取方解石水溶液和文石水溶液为研究对象,采用分子动力学方法,对构建的碳酸钙水溶液进行分子动力学模拟计算.计算结果表明:水分子的活性及渗透性随温度上升呈增大趋势,只有333 K温度下明显降低.方解石水溶液中Ca2+和CO32-的扩散系数随温度变化波动较大,文石水溶液中Ca2+和CO32-的扩散系数呈逐渐上升趋势.模拟得到的文石水溶液Ca2+-CO32-径向分布函数图和H2O径向分布函数图第一、二峰高度明显低于方解石水溶液.计算结果还显示离子与方解石晶面的相互作用能比文石晶面高0.02 kcal/mol.%In order to study the Calcium Carbonate crystallization, the aqueous solution of calcite and the aqueous solution of aragonite are treated as the research object by u-sing the Molecular dynamics simulate the Calcium Carbonate system. The conclusions are drew that the diffusion coefficient of water molecules increases ceaselessly with the increasing of the temperature and it's relatively small only when the temperature is 333 K. And it's also concluded that the diffusion coefficients of Ca2+ and COff in the a-queous solution of calcite vary relatively with the increasing of the temperature and those in the aqueous solution of aragonite increases ceaselessly. The radial distribution function graphs of Ca2+-CO?i~ and H2O the simulation has concluded display that the first and the second peak height is obviously lower than that of the aqueous solution of aragonite. Then it's calculated that the binding energy between the surface of calcite and 0. 02 kcal/mol higher than the surface of aragonite.

  12. Screening of antiproliferative effect of aqueous extracts of plant foods consumed in México on the breast cancer cell line MCF-7. (United States)

    García-Solís, Pablo; Yahia, Elhadi M; Morales-Tlalpan, Verónica; Díaz-Muñoz, Mauricio


    We evaluated the antiproliferative effect of aqueous extracts of 14 plant foods consumed in Mexico on the breast cancer cell line MCF-7. The plant foods used were avocado, black sapote, guava, mango, prickly pear cactus stems (called nopal in Mexico, cooked and raw), papaya, pineapple, four different cultivars of prickly pear fruit, grapes and tomato. β-Carotene, total phenolics and gallic acid contents and the antioxidant capacity, measured by the ferric reducing/antioxidant power and the 2,2-diphenyl-1,1-picrylhydrazyl radical scavenging assays, were analyzed in each aqueous extract. Only the papaya extract had a significant antiproliferative effect measured with the methylthiazolydiphenyl-tetrazolium bromide assay. We did not notice a relationship between the total phenolic content and the antioxidant capacity with antiproliferative effect. It is suggested that each extract of plant food has a unique combination of the quantity and quality of phytochemicals that could determine its biological activity. Besides, papaya represents a very interesting fruit to explore its antineoplastic activities.

  13. Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations


    Swanson, Jessica M. J.; Maupin, C. Mark; Chen, Hanning; Petersen, Matt K.; Xu, Jiancong; Wu, Yujie; Voth, Gregory A.


    The excess proton in aqueous media plays a pivotal role in many fundamental chemical (e.g., acid-base chemistry) and biological (e.g., bioenergetics and enzyme catalysis) processes. Understanding the hydrated proton is, therefore, crucial for chemistry, biology, and materials sciences. Although well studied for over 200 years, excess proton solvation and transport remains to this day mysterious, surprising, and perhaps even misunderstood. In this feature article various efforts to address thi...

  14. Remove food dye (Acid Red 18 by using activated carbon of sunflower stalk modified with Iron nanoparticles Fe3O4 from aqueous solutions

    Directory of Open Access Journals (Sweden)

    Ali Namazi Zoweram


    Full Text Available Background and Objective: acid pale yellow dye(AY-6, acid yellow 23 (AY-23 and Acid Red 18 (AR-18 are of the most important dyes among artificial dyes that are used to create the colors orange and red. They are used in confectionery, beverage making, chips, corn, cereals, cake mixes, sports drinks, ice cream, candy, gelatins, pickles, Yakhmaks, fermented foods, prescription drugs and tablet, chewing gum, pudding, fruit juice, mustard sauce, soda, cosmetics, and other products.However, about 10-20% of the dye is lost during the manufacturing process and as a result large amounts of food dye enter the wastewater that must be refined. Absorption by using natural absorbents has found a significant usage among the methods of removal and treatment of colored wastewaters. For this purpose, activatedcarbon was produced from sunflower plantstalk in this study. It was modified by iron nanoparticles to recover and separate absorbent from aqueous solutions. Dye Acid Red 18 of Azo dyes was used in a laboratory environment to assess the efficiency, which is widely used in food and textile industries. Materials and Methods:The present study was done experimentally in laboratory scale, with the aim to examine the efficacy of removal of Acid Red 18 dye from aqueous solutions by using activatedcarbon produced from sunflower stalk, and modified with iron nanoparticles. Various parameters such as initial concentration of colored material, adsorbent material dosage, PH, and contact time were investigated in a batch system. Findings:The present study results show dye removal efficiency of 98.6% at a concentration of 25 milligrams per liter with 0.5 g adsorbent dosage and contact time of 120 minutes at a pH equal to 3. Conclusion: Based on the results obtained from the study it can be concluded activatedcarbon produced from sunflower stalk as an agricultural wastes has relatively good efficiency in absorption of acid red18 dye from aqueous solutions.

  15. The Personnel Model of Food Professional Practice Based on ERP Simulating Experience Platform

    Directory of Open Access Journals (Sweden)

    Juanjuan Liang


    Full Text Available This study has clear understanding on features of experiencing education which is based on ERP on account of the ERP simulation with sand table experiment. Then we established strategic position to applied personnel majoring in food professional practice on account of ERP, so as to establish the practicing platform of experiments, practical practice as well as practice for students majoring in food professional practice, to improve the application ability of students. We put forward practicing discovery on model of applied personnel majoring in food professional practice.

  16. Refinements of water parameters for molecular dynamics: Simulations of adsorption at the clay mineral/aqueous solution interface

    DEFF Research Database (Denmark)

    Schäfer, L.; Yu, C.; Teppen, B.J.;


    In the context of a long-term program involving molecular dynamics simulations of adsorption phenomena at the clay mineral/aqueous solution interface, we are testing the viability of combining a force field that we developed specificially for clays with other, independently derived potential...... parameters for molecular species which are important in clay adsorption. For the current study the importance of variations in the potential parameters of water were investigated and polarization effects on oxygen studied as a function of intermolecular interactions. For this purpose ab initio MP2/6-311GG...... atomic charges were determined for several oligomers of water and for the water dimer at different intermolecular separations. Charge variations of up to ~0.1 electron charge unit on oxygen are found and, together with changes in van der Waals constants, their significance for dynamics simulations...

  17. Piloting an online grocery store simulation to assess children's food choices. (United States)

    Heard, Amy M; Harris, Jennifer L; Liu, Sai; Schwartz, Marlene B; Li, Xun


    Public health interventions must address poor diet among U.S. children, but research is needed to better understand factors influencing children's food choices. Using an online grocery store simulation, this research piloted a novel method to assess children's snack selection in a controlled but naturalistic laboratory setting, evaluate predictors of choice, and experimentally test whether promotions on food packages altered choices. Children (7-12 years, N = 61) were randomly assigned to one of three conditions: promotions on healthy products; promotions on unhealthy products; and no promotions (control). They selected from a variety of healthy and unhealthy foods and beverages and rated all products on healthfulness and taste. Promotions on food packaging did not affect snack selection in this study, but findings supported our other hypothesis that perceived taste would be the strongest predictor of food choice. Children accurately rated product healthfulness, but these ratings did not predict healthy snack choices or taste ratings for healthy or unhealthy snacks. These results suggest that interventions to improve children's food choices should focus on increasing availability of healthy options and identifying opportunities to enhance children's liking of healthy options. However, nutrition education alone is unlikely to improve children's diets. Further testing is required, but the simulated online grocery store method shows potential for measuring children's food choices.

  18. Sociality, selection, and survival: simulated evolution of mortality with intergenerational transfers and food sharing. (United States)

    Lee, Ronald


    Why do humans survive so long past reproductive age, and why does juvenile mortality decline after birth, both contrary to the classic theory of aging? Previous work has shown formally that intergenerational transfers can explain both these patterns. Here, simulations confirm those results under weaker assumptions and explore how different social arrangements shape life-history evolution. Simulated single-sex hunter-gatherers survive, forage, reproduce, and share food with kin and nonkin in ways guided by the ethnographic literature. Natural selection acts on probabilistically occurring deleterious mutations. Neither stable population age distributions nor homogeneous genetic lineages are assumed. When food is shared only within kin groups, an infant death permits reallocation of its unneeded food to the infant's kin, offsetting the fitness cost of the death and weakening the force of selection against infant mortality. Thus, evolved infant mortality is relatively high, more so in larger kin groups. Food sharing with nonkin reduces the costs to kin of child rearing, but also reduces the resources recaptured by kin after an infant death, so evolved infant mortality is lower. Postreproductive adults transfer food to descendants, enhancing their growth and survival, so postreproductive survival is selected. The force of selection for old-age survival depends in complicated ways on the food-sharing arrangements. Population-level food sharing with nonkin leads to the classic pattern of constant low mortality up to sexual maturity and no postreproductive survival.

  19. Aqueous two-phase based on ionic liquid liquid-liquid microextraction for simultaneous determination of five synthetic food colourants in different food samples by high-performance liquid chromatography. (United States)

    Sha, Ou; Zhu, Xiashi; Feng, Yanli; Ma, Weixing


    A rapid and effective method of aqueous two-phase systems based on ionic liquid microextraction for the simultaneous determination of five synthetic food colourants (tartrazine, sunset yellow, amaranth, ponceau 4R and brilliant blue) in food samples was established. High-performance liquid chromatography coupled with an ultraviolet detector of variable wavelength was used for the determinations. 1-alkyl-3-methylimidazolium bromide was selected as the extraction reagent. The extraction efficiency of the five colourants in the proposed system is influenced by the types of salts, concentrations of salt and [CnMIM]Br, as well as the extracting time. Under the optimal conditions, the extraction efficiencies for these five colourants were above 95%. The phase behaviours of aqueous two-phase system and extraction mechanism were investigated by UV-vis spectroscopy. This method was applied to the analysis of the five colourants in real food samples with the detection limit of 0.051-0.074 ng/mL. Good spiked recoveries from 93.2% to 98.9% were obtained.

  20. Mechanism of the decreased food consumption and weight gain in rats following consumption of aqueous extract of the calyx of Hibiscus sabdariffaduring pregnancy

    Institute of Scientific and Technical Information of China (English)

    Eghosa E Iyare; Olufeyi A Adegoke; Uchenna I Nwagha


    Objective: To investigate the possible mechanisms of the decreasing fluid and food consumption followingHibiscussabdariffa(HS) consumption.Methods: On the 1st day of pregnancy, rats were randomly divided into three groups with six animals per each group. One group was given tap water, one was given with extract at 0.6 g/100 mL while the third group was given with extract at 1.8 g/100 mL as their drinking solution. All groups received normal rat chow and drinking solutionad libitum. Fluid& food intake and weight were measured daily throughout pregnancy and Na+ concentration in plasma was determined on the 18th day of pregnancy.Results: Results showed decreased fluid and food consumption, decreased weight gain and increased sodium ion concentration in plasma of rats withHS extract compared with the control group.Conclusions:Consumption of aqueous extract of the calyx ofHS during pregnancy decreases food consumption and weight gain through mechanisms that may depend on Na+ inHScontent and elevating Na+ concentration.

  1. Alternative fatty simulants and diffusion kinetics of nylon 12 food packaging

    NARCIS (Netherlands)

    Stoffers, N.H.; Dekker, M.; Linssen, J.P.H.; Stoermer, A.; Franz, R.


    The migration of laurolactam and cyclic di- and trimer of nylon 12 was assessed using three different films and five food simulants (olive oil, isooctane, 95% ethanol, 50% ethanol, water). Substitute test conditions for migration into olive oil according to European Union Directive EC/97/48 were app

  2. Migration of photoinitiators from cardboard into dry food: evaluation of Tenax® as a food simulant. (United States)

    Van Den Houwe, Kathy; Evrard, Caroline; Van Loco, Joris; Lynen, Frederic; Van Hoeck, Els


    Photoinitiators are widely used to cure ink on packaging materials used in food applications such as cardboards for the packaging of dry foods. Conventional migration testing for long-term storage at ambient temperature with Tenax(®) was applied to paperboard for the following photoinitiators: benzophenone (BP), 4,4'-bis(diethylamino)benzophenone (DEAB), 2-chloro-9H-thioxanthen-9-one (CTX), 1-chloro-4-propoxy-9H-thioxanthen-9-one (CPTX), 4-(dimethylamino)benzophenone (DMBP), 2-ethylanthraquinone (EA), 2-ethylhexyl-4-dimethylaminobenzoate (EDB), ethyl-4-dimethylaminobenzoate (EDMAB), 4-hydroxybenzophenone (4-HBP), 2-hydroxy-4-methoxybenzophenone (HMBP), 2-hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone (HMMP), 2-isopropyl-9H-thioxanthen-9-one (ITX), 4-methylbenzophenone (MBP) and Michler's ketone (MK). Test conditions (10 days at 60°C) were according to Regulation (EU) No. 10/2011 and showed different migration patterns for the different photoinitiators. The results were compared with the migration in cereals after a storage of 6 months at room temperature. The simulation with Tenax at 60°C overestimated actual migration in cereals up to a maximum of 92%. In addition, the effect of a lower contact temperature and the impact of the Tenax pore size were investigated. Analogous simulation performed with rice instead of Tenax resulted in insufficiently low migration rates, showing Tenax is a much stronger adsorbent than rice and cereals.

  3. "Structure-making" ability of Na+ in dilute aqueous solution: an ONIOM-XS MD simulation study. (United States)

    Sripa, Pattrawan; Tongraar, Anan; Kerdcharoen, Teerakiat


    An ONIOM-XS MD simulation has been performed to characterize the "structure-making" ability of Na(+) in dilute aqueous solution. The region of most interest, i.e., a sphere that includes Na(+) and its surrounding water molecules, was treated at the HF level of accuracy using LANL2DZ and DZP basis sets for the ion and waters, respectively, whereas the rest of the system was described by classical pair potentials. Detailed analyzes of the ONIOM-XS MD trajectories clearly show that Na(+) is able to order the structure of waters in its surroundings, forming two prevalent Na(+)(H(2)O)(5) and Na(+)(H(2)O)(6) species. Interestingly, it is observed that these 5-fold and 6-fold coordinated complexes can convert back and forth with some degrees of flexibility, leading to frequent rearrangements of the Na(+) hydrates as well as numerous attempts of inner-shell water molecules to interchange with waters in the outer region. Such a phenomenon clearly demonstrates the weak "structure-making" ability of Na(+) in aqueous solution.

  4. Behavior of aqueous Tetrabutylammonium bromide - a combined approach of microscopic simulation and neutron scattering

    CERN Document Server

    Bhowmik, Debsindhu


    Aqueous solution of tetrabutylammonium bromide is studied by quasi-elastic neutron scattering, to give information on the dynamic modes involving the ions present. Using a careful combination of two techniques, time-of-flight (TOF) and neutron spin echo (NSE), we de- couple the dynamic information in both the coherently and incoherently scattered signal from this system. We take advantage of the different intensity ratio of the two signals, as detected by each of the techniques, to achieve this decoupling. By using heavy water as the sol- vent, the tetrabutylammonium cation is the only hydrogen-containing species in the system and gives rise to a significant incoherent scattered intensity. The dynamic analysis of the incoherent signal (measured by TOF) leads to a translational diffusion coefficient of the cation as that is in good agreement with previous NMR, neutron scattering and tracer diffusion measurements. The dynamic analysis of the coherent signal observed at wave-vectors < 0.6 angstrom^(-1) (measu...

  5. Preparation of graphene/TiO{sub 2} composites by nonionic surfactant strategy and their simulated sunlight and visible light photocatalytic activity towards representative aqueous POPs degradation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Kexin; Xiong, Jingjing; Chen, Tong [Provincial Key Laboratory of Ecological Diagnosis-Remediation and Pollution Blocking Technology, Department of Environment and Chemical Engineering, Nanchang Hangkong Uuniversity, Nanchang 330063 (China); Yan, Liushui, E-mail: [Provincial Key Laboratory of Ecological Diagnosis-Remediation and Pollution Blocking Technology, Department of Environment and Chemical Engineering, Nanchang Hangkong Uuniversity, Nanchang 330063 (China); Dai, Yuhua; Song, Dongyang; Lv, Ying; Zeng, Zhenxing [Provincial Key Laboratory of Ecological Diagnosis-Remediation and Pollution Blocking Technology, Department of Environment and Chemical Engineering, Nanchang Hangkong Uuniversity, Nanchang 330063 (China)


    Highlights: ► A series of graphene/TiO{sub 2} composites were developed by nonionic surfactant strategy. ► The textural property, optical property, and composition were well characterized. ► Aqueous POPs were degraded under simulated sunlight and visible light irradiation. ► The degradation mechanism and kinetics of aqueous POPs were studied in detail. ► Mineralization of aqueous POPs and recyclability of the composites were also tested. -- Abstract: A series of graphene/TiO{sub 2} composites were fabricated using a single-step nonionic surfactant strategy combined with the solvothermal treatment technique. Their phase structure, morphology, porosity, optical absorption property, as well as composition and structure, were characterized. The as-prepared composites were successfully applied to degrade aqueous persistent organic pollutants (POPs) such as rhodamine B, aldicarb, and norfloxacin in simulated sunlight (λ > 320 nm) and visible light (λ > 400 nm) irradiation. The degradation mechanism and kinetics of aqueous POPs were studied in detail. The mineralization of aqueous POPs and the recyclability of the composites were also tested in the same condition.

  6. Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations, and comparisons with gold. (United States)

    Hughes, Zak E; Wright, Louise B; Walsh, Tiffany R


    The molecular simulation of biomolecules adsorbed at noble metal interfaces can assist in the development of bionanotechnology applications. In line with advances in polarizable force fields for adsorption at aqueous gold interfaces, there is scope for developing a similar force field for silver. One way to accomplish this is via the generation of in vacuo adsorption energies calculated using first-principles approaches for a wide range of different but biologically relevant small molecules, including water. Here, we present such first-principles data for a comprehensive range of bio-organic molecules obtained from plane-wave density functional theory calculations using the vdW-DF functional. As reported previously for the gold force field, GolP-CHARMM (Wright, L. B.; Rodger, P. M.; Corni, S.; Walsh, T. R. GolP-CHARMM: first-principles based force-fields for the interaction of proteins with Au(111) and Au(100). J. Chem. Theory Comput. 2013, 9, 1616-1630), we have used these data to construct a a new force field, AgP-CHARMM, suitable for the simulation of biomolecules at the aqueous Ag(111) and Ag(100) interfaces. This force field is derived to be consistent with GolP-CHARMM such that adsorption on Ag and Au can be compared on an equal footing. Our force fields are used to evaluate the water overlayer stability on both silver and gold, finding good agreement with known behaviors. We also calculate and compare the structuring (spatial and orientational) of liquid water adsorbed at both silver and gold. Finally, we report the adsorption free energy of a range of amino acids at both the Au(111) and Ag(111) aqueous interfaces, calculated using metadynamics. Stronger adsorption on gold was noted in most cases, with the exception being the carboxylate group present in aspartic acid. Our findings also indicate differences in the binding free energy profile between silver and gold for some amino acids, notably for His and Arg. Our analysis suggests that the relatively

  7. Water for food, livelihoods and nature: simulations for policy dialogue in South Africa (United States)

    Kamara, A.; Sally, H.

    IWMI’s research activities on the linkages between water and food security have led to the development of a policy dialogue model--Podium--which is a cereal-based simulation model that addresses questions related to water and food security in a global, national and river basin context. This paper presents results of the application of the model to South Africa. This entails, firstly, an assessment of the current macroeconomic trends, food requirements and production potential. These assessments are then used to generate various scenarios on meeting national food production targets, taking into account the country’s water resources endowment and the management thereof to meet those requirements. The implications of various policy options for achieving national level food security are discussed. One important point that emerges is the need for adequate and reliable data pertaining to the main drivers of the model: demography, nutritional requirements, cereal imports and exports, performance of the agriculture sector, and climate and hydrological regimes, in order to derive simulations and scenarios that are useful and meaningful for policy formulation.

  8. Analysis of Phthalate Migration to Food Simulants in Plastic Containers during Microwave Operations

    Directory of Open Access Journals (Sweden)

    Miriany A. Moreira


    Full Text Available Phthalates used as plasticizers in the manufacture of household containers can potentially be transferred to foods that are stored or heated in these plastic containers. Phthalates are endocrine disruptor compounds (EDC and are found in very low concentrations in foods, thus, highly sensitive analytical techniques are required for their quantification. This study describes the application of a new method developed for analyzing the migration of dibutylphthalate (DBP and benzylbutylphthalate (BBP from plastic food containers into liquid food simulants. This new method employs the technique of solid phase microextraction cooled with liquid nitrogen. The analysis was conducted by gas chromatography/mass spectrometry (GC/MS using a polyacrylate fiber. Ultrapure water was used as a simulant for liquids foods, and both new and used plastic containers were placed in a domestic microwave oven for different periods of time at different power levels. The limits of detection for DBP and BBP were 0.08 µg/L and 0.31 µg/L, respectively. BBP was not found in the samples that were analyzed. DBP was found in concentrations ranging from

  9. Analyzing nutritional impacts of price and income related shocks in Malawi: Simulating household entitlements to food


    Harttgen, Kenneth; Klasen, Stephan; Rischke, Ramona


    The 2007/2008 food price crisis and the following global economic recession has (temporarily) increased the number of people to suffer from hunger. While the impacts can be measured with precision only ex post, for policy makers it is critical to get a sense of likely impacts ex ante in order to plan approaches to mitigate these impacts. In this paper we adopt a very simple micro-based simulation approach to analyze how changes in prices of specific food groups, such as maize prices or prices...

  10. Investigation and development of liquid-liquid extraction systems for the removal of pertechnetate from aqueous nuclear waste stream simulants (United States)

    Gansle, Kristina Marie Rohal


    The solvent extraction behavior of perrhenate (ReO 4-) and pertechnetate (TcO4- ) from aqueous nuclear waste stream simulants was examined using the anion-exchange reagent Aliquat-336 nitrate. The extraction tendencies of ReO 4- followed those of TcO4- from both acidic and basic media, demonstrating that ReO4 - was a suitable nonradioactive surrogate for TcO4 -. For ICP-AES analysis of Re in high salt solutions, a V-groove nebulizer and 1:1 dilution of the sample and standards with 0.1% Triton X-100 surfactant reduced deposition of solids within the sample introduction system, thus minimizing memory effects. A new approach to waste remediation technology, Redox-Recyclable Extraction and Recovery (R2ER), was also studied. The redox-active species 1,1',3,3'-tetrakis(2-methyl-2-hexyl)ferrocene (HEP) was oxidized to its cationic form for extraction of TcO4 - or ReO4- from aqueous waste and reduced to its neutral form for recovery of the anion. The thermodynamics of liquid-liquid interfacial electron transfer for the oxidation/activation of HEP were shown to be controlled by three factors: the reduction potentials of the redox-active species in the aqueous and organic phases and the transfer of an ion across the liquid-liquid interface. The deactivation/reduction rate of HEP+NO3- by iron was affected by organic solvent diluent and improved by treating the iron with hexanes and 1 M HCl. The volume of solid secondary-waste in the R2ER cycle was reduced by a factor of 3000. In complete extraction/recovery cycles, HEP+NO3- in 2-nonanone removed greater than 99% TcO4- from the 101-SY, 103-SY, 1 M HCl and 1 M NaOH/1.5 M NaNO3 Hanford Tank waste simulants. Another redox-active extractant, bis(hydridotris(1-pyrazolyl)borato)iron(III) nitrate (FeTp2+NO3-), was also selective for ReO4- remediation from simulated aqueous waste. Organic solutions of the alkyl substituted ferricenium extractants were not stable in the presence of nucleophilic anions and/or reducing agents. HEP+NO3

  11. Inactivation of Escherichia coli O157:H7 in biofilm on food-contact surfaces by sequential treatments of aqueous chlorine dioxide and drying. (United States)

    Bang, Jihyun; Hong, Ayoung; Kim, Hoikyung; Beuchat, Larry R; Rhee, Min Suk; Kim, Younghoon; Ryu, Jee-Hoon


    We investigated the efficacy of sequential treatments of aqueous chlorine and chlorine dioxide and drying in killing Escherichia coli O157:H7 in biofilms formed on stainless steel, glass, plastic, and wooden surfaces. Cells attached to and formed a biofilm on wooden surfaces at significantly (P ≤ 0.05) higher levels compared with other surface types. The lethal activities of sodium hypochlorite (NaOCl) and aqueous chlorine dioxide (ClO₂) against E. coli O157:H7 in a biofilm on various food-contact surfaces were compared. Chlorine dioxide generally showed greater lethal activity than NaOCl against E. coli O157:H7 in a biofilm on the same type of surface. The resistance of E. coli O157:H7 to both sanitizers increased in the order of wood>plastic>glass>stainless steel. The synergistic lethal effects of sequential ClO₂ and drying treatments on E. coli O157:H7 in a biofilm on wooden surfaces were evaluated. When wooden surfaces harboring E. coli O157:H7 biofilm were treated with ClO₂ (200 μg/ml, 10 min), rinsed with water, and subsequently dried at 43% relative humidity and 22 °C, the number of E. coli O157:H7 on the surface decreased by an additional 6.4 CFU/coupon within 6 h of drying. However, when the wooden surface was treated with water or NaOCl and dried under the same conditions, the pathogen decreased by only 0.4 or 1.0 log CFU/coupon, respectively, after 12 h of drying. This indicates that ClO₂ treatment of food-contact surfaces results in residual lethality to E. coli O157:H7 during the drying process. These observations will be useful when selecting an appropriate type of food-contact surfaces, determining a proper sanitizer for decontamination, and designing an effective sanitization program to eliminate E. coli O157:H7 on food-contact surfaces in food processing, distribution, and preparation environments.

  12. Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R. M.; Bohr, Jakob


    The Raman and Raman optical activity (ROA) spectra of amino acids and small peptides in aqueous solution have been simulated by density functional theory and restricted Hartree/Fock methods. The treatment of the aqueous environment in treated in two ways. The water molecules in the first hydration...... shell which strongly interact with the molecule are treated explicitly while the waters in the bulk are treated by a continuum model. The structures are optimized and the harmonic force elds are calculated. The derivatives needed to simulate the Raman and ROA intensities are calculated from first...... principles. The simulated Raman and ROA spectra have been compared to recently meassured spectra on amino acids and peptides. The simulations and understanding from them are used to interpret the Raman and ROA spectra of proteins. A comparison to vibrational absorption (VA) and vibrational circular dichroism...

  13. Ca(2+) -complex stability of GAPAGPLIVPY peptide in gas and aqueous phase, investigated by affinity capillary electrophoresis and molecular dynamics simulations and compared to mass spectrometric results. (United States)

    Nachbar, Markus; El Deeb, Sami; Mozafari, Mona; Alhazmi, Hassan A; Preu, Lutz; Redweik, Sabine; Lehmann, Wolf Dieter; Wätzig, Hermann


    Strong, sequence-specific gas-phase bindings between proline-rich peptides and alkaline earth metal ions in nanoESI-MS experiments were reported by Lehmann et al. (Rapid Commun. Mass Spectrom. 2006, 20, 2404-2410), however its relevance for physiological-like aqueous phase is uncertain. Therefore, the complexes should also be studied in aqueous solution and the relevance of the MS method for binding studies be evaluated. A mobility shift ACE method was used for determining the binding between the small peptide GAPAGPLIVPY and various metal ions in aqueous solution. The findings were compared to the MS results and further explained using computational methods. While the MS data showed a strong alkaline earth ion binding, the ACE results showed nonsignificant binding. The proposed vacuum state complex also decomposed during a molecular dynamic simulation in aqueous solution. This study shows that the formed stable peptide-metal ion adducts in the gas phase by ESI-MS does not imply the existence of analogous adducts in the aqueous phase. Comparing peptide-metal ion interaction under the gaseous MS and aqueous ACE conditions showed huge difference in binding behavior.

  14. Effects of the 2008 flood on economic performance and food security in Yemen: a simulation analysis. (United States)

    Breisinger, Clemens; Ecker, Olivier; Thiele, Rainer; Wiebelt, Manfred


    Extreme weather events such as floods and droughts can have devastating consequences for individual well being and economic development, in particular in poor societies with limited availability of coping mechanisms. Combining a dynamic computable general equilibrium model of the Yemeni economy with a household-level calorie consumption simulation model, this paper assesses the economy-wide, agricultural and food security effects of the 2008 tropical storm and flash flood that hit the Hadramout and Al-Mahrah governorates. The estimation results suggest that agricultural value added, farm household incomes and rural food security deteriorated long term in the flood-affected areas. Due to economic spillover effects, significant income losses and increases in food insecurity also occurred in areas that were unaffected by flooding. This finding suggests that while most relief efforts are typically concentrated in directly affected areas, future efforts should also consider surrounding areas and indirectly affected people.

  15. Glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: a molecular simulation study (United States)

    Gupta, Krishna M.; Zhang, Kang; Jiang, Jianwen


    A molecular simulation study is reported on glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101. The F atom of MIL-101 is identified to be the most favorable adsorption site. Among three MIL-101-X (X = H, NH2 or CH3), the parent MIL-101 exhibits the highest adsorption capacity and recovery efficacy. Upon functionalization by -NH2 or -CH3 group, the steric hindrance in MIL-101 increases; consequently, the interactions between glucose and framework become less attractive, thus reducing the capacity and mobility of glucose. The presence of ionic liquid, 1-ethyl-3-methyl-imidazolium acetate, as an impurity reduces the strength of hydrogen-bonding between glucose and MIL-101, and leads to lower capacity and mobility. Upon adding anti-solvent (ethanol or acetone), a similar adverse effect is observed. The simulation study provides useful structural and dynamic properties of glucose in MIL-101, and it suggests that MIL-101 might be a potential candidate for glucose recovery.

  16. Study of Interfacial Tension between an Organic Solvent and Aqueous Electrolyte Solutions Using Electrostatic Dissipative Particle Dynamics Simulations

    CERN Document Server

    Mayoral, E; 10.1063/1.4766456


    The study of the modification of interfacial properties between an organic solvent and aqueous electrolyte solutions is presented by using electrostatic Dissipative Particle Dynamics (DPD) simulations. In this article the parametrization for the DPD repulsive parameters aij for the electrolyte components is calculated considering the dependence of the Flory-Huggins \\c{hi} parameter on the concentration and the kind of electrolyte added, by means of the activity coefficients. In turn, experimental data was used to obtain the activity coefficients of the electrolytes as a function of their concentration in order to estimate the \\c{hi} parameters and then the aij coefficients. We validate this parametrization through the study of the interfacial tension in a mixture of n-dodecane and water, varying the concentration of different inorganic salts (NaCl, KBr, Na2SO4 and UO2Cl2). The case of HCl in the mixture n-dodecane/water was also analyzed and the results presented. Our simulations reproduce the experimental da...

  17. Determination of sunset yellow and tartrazine in food samples by combining ionic liquid-based aqueous two-phase system with high performance liquid chromatography. (United States)

    Sha, Ou; Zhu, Xiashi; Feng, Yanli; Ma, Weixing


    We proposed a simple and effective method, by coupling ionic liquid-based aqueous two-phase systems (IL-ATPSs) with high performance liquid chromatography (HPLC), for the analysis of determining tartrazine and sunset yellow in food samples. Under the optimized conditions, IL-ATPSs generated an extraction efficiency of 99% for both analytes, which could then be directly analyzed by HPLC without further treatment. Calibration plots were linear in the range of 0.01-50.0 μg/mL for both Ta and SY. The limits of detection were 5.2 ng/mL for Ta and 6.9 ng/mL for SY. This method proves successful for the separation/analysis of tartrazine and sunset yellow in soft drink sample, candy sample, and instant powder drink and leads to consistent results as obtained from the Chinese national standard method.

  18. Determination of Sunset Yellow and Tartrazine in Food Samples by Combining Ionic Liquid-Based Aqueous Two-Phase System with High Performance Liquid Chromatography

    Directory of Open Access Journals (Sweden)

    Ou Sha


    Full Text Available We proposed a simple and effective method, by coupling ionic liquid-based aqueous two-phase systems (IL-ATPSs with high performance liquid chromatography (HPLC, for the analysis of determining tartrazine and sunset yellow in food samples. Under the optimized conditions, IL-ATPSs generated an extraction efficiency of 99% for both analytes, which could then be directly analyzed by HPLC without further treatment. Calibration plots were linear in the range of 0.01–50.0 μg/mL for both Ta and SY. The limits of detection were 5.2 ng/mL for Ta and 6.9 ng/mL for SY. This method proves successful for the separation/analysis of tartrazine and sunset yellow in soft drink sample, candy sample, and instant powder drink and leads to consistent results as obtained from the Chinese national standard method.

  19. Exploring molecular insights into aggregation of hydrotrope sodium cumene sulfonate in aqueous solution: a molecular dynamics simulation study. (United States)

    Das, Shubhadip; Paul, Sandip


    Hydrotropes are an important class of molecules that enhance the solubility of an otherwise insoluble or sparingly soluble solute in water. Besides this, hydrotropes are also known to self-assemble in aqueous solution and form aggregates. It is the hydrotrope aggregate that helps in solubilizing a solute molecule in water. In view of this, we try to understand the underlying mechanism of self-aggregation of hydrotrope sodium cumene sulfonate (SCS) in water. We have carried out classical molecular dynamics simulations of aqueous SCS solutions with a regime of concentrations. Moreover, to examine the effect of temperature change on SCS aggregation, if any, we consider four different temperatures ranging from 298 to 358 K. From the estimation of densities of different solutions we calculate apparent and partial molal volumes of the hydrotrope. The changes in these quantities increase sharply at a characteristic minimum hydrotrope concentration. The determination of molal expansibility at infinite dilution for different temperatures indicates the water structure breaking by SCS molecules, which is further confirmed by the calculations of water-water pair correlation functions. In comparison with typical surfactants in micelles, a slightly lower value of volumetric change upon aggregation per carbon atom suggests the formation of a more closely packed structure of hydrotrope aggregates. A close examination of different structural properties of hydrotrope solutions reveals that the hydrophobic interactions through their hydrophobic tails significantly contribute in hydrotrope aggregation,and the dehydration of hydrophobic tail at elevated temperatures is also visible. Remarkably, the aggregates have little or no impact on the average number of water-SCS hydrogen bonds.

  20. Aqueous photofate of crystal violet under simulated and natural solar irradiation: Kinetics, products, and pathways. (United States)

    Li, Yong; Yang, Shaogui; Sun, Cheng; Wang, Lianhong; Wang, Qingeng


    In this work photodegradation rates and pathways of an illegal veterinary drug, crystal violet, were studied under simulated and solar irradiation with the goal of assessing the potential of photolysis as a removal mechanism in the aquatic environment. Factors influencing the photodegradation process under simulated sunlight were investigated, including pH, humic acid, Fe(2+), Ca(2+), [Formula: see text] , and [Formula: see text] , of which favorable conditions were optimized by the orthogonal array design. The degradation processes of crystal violet conformed to pseudo first-order kinetics, with different rate constants under different conditions. Reactive oxygen species such as hydroxyl radical, singlet oxygen, and superoxide anion participated in the indirect photolysis process, leading to much higher decolorization efficiencies than those of direct photolysis and hydrolysis. Contrasting to simulated irradiation, solar irradiation led to complete decolorization. Sixty-four products were identified by high resolution liquid chromatography-time-of-flight mass spectrometry and gas chromatography-mass spectrometry, elucidating relatively complete mineralization through photolysis. Based on the analyses of the degradation products and calculations of the frontier electron density, transformation pathways were proposed as singlet oxygen addition, N-demethylation, hydroxyl addition, decomposition of conjugated structure, the removal of benzene ring and the ring-opening reaction. As a result, small products generated as carboxylic acids, alcohols and amines, which were not likely to cause severe hazards to the environment. This study provided both a reference for photodegradation of crystal violet and future safety applications and predictions of decontamination of related triphenylmethane veterinary drug under environmental conditions.

  1. Study of the partition coefficients Kp/f of seven model migrants from LDPE polymer in contact with food simulants. (United States)

    Paseiro-Cerrato, Rafael; Tongchat, Chinawat; Franz, Roland


    This study evaluated the influence of parameters such as temperature and type of low-density polyethylene (LDPE) film on the log Kp/f values of seven model migrants in food simulants. Two different types of LDPE films contaminated by extrusion and immersion were placed in contact with three food simulants including 20% ethanol, 50% ethanol and olive oil under several time-temperature conditions. Results suggest that most log Kp/f values are little affected by these parameters in this study. In addition, the relation between log Kp/f and log Po/w was established for each food simulant and regression lines, as well as correlation coefficients, were calculated. Correlations were compared with data from real foodstuffs. Data presented in this study could be valuable in assigning certain foods to particular food simulants as well as predicting the mass transfer of potential migrants into different types of food or food simulants, avoiding tedious and expensive laboratory analysis. The results could be especially useful for regulatory agencies as well as for the food industry.

  2. Molecular Dynamics Simulations of Aqueous and Confined Systems Relevant to the Supercritical Water Cooled Nuclear Reactor (United States)

    Kallikragas, Dimitrios Theofanis

    Supercritical water (SCW) is the intended heat transfer fluid and potential neutron moderator in the proposed GEN-IV Supercritical Water Cooled Reactor (SCWR). The oxidative environment poses challenges in choosing appropriate design materials, and the behaviour of SCW within crevices of the passivation layer is needed for developing a corrosion control strategy to minimize corrosion. Molecular Dynamics simulations have been employed to obtain diffusion coefficients, coordination number and surface density characteristics, of water and chloride in nanometer-spaced iron hydroxide surfaces. Diffusion models for hydrazine are evaluated along with hydration data. Results demonstrate that water is more likely to accumulate on the surface at low density conditions. The effect of confinement on the water structure diminishes as the gap size increases. The diffusion coefficient of chloride decreases with larger surface spacing. Clustering of water at the surface implies that the SCWR will be most susceptible to pitting corrosion and stress corrosion cracking.

  3. Simulation study of the ferrous ferric electron transfer at a metal--aqueous electrolyte interface

    Energy Technology Data Exchange (ETDEWEB)

    Smith, B.B.; Halley, J.W. (School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455 (United States))


    We report a new simulation study of the rate of ferrous--ferric electron transfer at a metal electrolyte interface. In contrast with earlier work, new features in our study include a detailed account of the effects of the field associated with the charging of the electrode, inclusion of entropic effects in the calculated free energy barriers, and a study of the dependence of the relevant free energy surfaces on the distance of the ion from the electrode. The qualitative picture of the reaction mechanism which emerges is significantly more detailed than that in earlier work. The dominant factors in determining the rate and mechanisms of electron transfer are the distance dependence of the work function of the metal, the redox species concentration profile, and the electronic matrix element. Calculated free energy barriers are consistent with experimentally measured ones. We also estimate the equilibrium potential for this reaction from the model, and find it to be consistent with the experimental equilibrium potential.

  4. Impact of ionic liquids in aqueous solution on bacterial plasma membranes studied with molecular dynamics simulations. (United States)

    Lim, Geraldine S; Zidar, Jernej; Cheong, Daniel W; Jaenicke, Stephan; Klähn, Marco


    The impact of five different imidazolium-based ionic liquids (ILs) diluted in water on the properties of a bacterial plasma membrane is investigated using molecular dynamics (MD) simulations. Cations considered are 1-octyl-3-methylimidazolium (OMIM), 1-octyloxymethyl-3-methylimidazolium (OXMIM), and 1-tetradecyl-3-methylimidazolium (TDMIM), as well as the anions chloride and lactate. The atomistic model of the membrane bilayer is designed to reproduce the lipid composition of the plasma membrane of Gram-negative Escherichia coli. Spontaneous insertion of cations into the membrane is observed in all ILs. Substantially more insertions of OMIM than of OXMIM occur and the presence of chloride reduces cation insertions compared to lactate. In contrast, anions do not adsorb onto the membrane surface nor diffuse into the bilayer. Once inserted, cations are oriented in parallel to membrane lipids with cation alkyl tails embedded into the hydrophobic membrane core, while the imidazolium-ring remains mostly exposed to the solvent. Such inserted cations are strongly associated with one to two phospholipids in the membrane. The overall order of lipids decreased after OMIM and OXMIM insertions, while on the contrary the order of lipids in the vicinity of TDMIM increased. The short alkyl tails of OMIM and OXMIM generate voids in the bilayer that are filled by curling lipids. This cation induced lipid disorder also reduces the average membrane thickness. This effect is not observed after TDMIM insertions due to the similar length of cation alkyl chain and the fatty acids of the lipids. This lipid-mimicking behavior of inserted TDMIM indicates a high membrane affinity of this cation that could lead to an enhanced accumulation of cations in the membrane over time. Overall, the simulations reveal how cations are inserted into the bacterial membrane and how such insertions change its properties. Moreover, the different roles of cations and anions are highlighted and the fundamental

  5. Determination of methacrylic acid in food simulants by pyrolytic butylation-gas chromatography. (United States)

    Huang, Zhongping; Qiu, Ruofeng; Liu, Tingfei; Huang, Yilei; Zhu, Zuoyi; Wang, Lili


    An on-line pyrolytic butylation approach was proposed to determine methacrylic acid (MA) in food simulants by gas chromatography (GC) without an expensive pyrolyzer. MA in food simulants was converted into butyl methacrylate in the presence of tetrabutylammonium hydroxide (TBAH) without any pretreatment at 330°C in the injection-port, contributing to high GC signal response. The derivatizing conditions for the proposed method were optimized, namely the injection-port temperature, type and amount of the organic alkaline used for derivatization. A series of standard solutions of MA in the range of 1.0-50mg/kg were analyzed with correlation coefficient r≥0.9975. The limits of detection (LODs) were less than 0.15mg/kg for MA in four matrix simulants (distilled water, 3%w/v acetic acid, 10%v/v ethanol, and isooctane). Relative standard deviations (RSDs) for retention time, peak height and peak area were all less than 3.88%. The technique was successfully applied to the analysis of MA migrating from plastic cup samples, with recoveries of added MA in the range of 96.5-123.0%. Direct injection of the simulants into the GC system after migration tests, without any pretreatment step, makes the developed method of great value for rapid screening analysis of samples in bulks.

  6. The Study on the Alteration of Simulated HLLW Glass in Aqueous Media by Inverse Gas Chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhentao; Gan, Xueying; Yuan, Wenyi; Wang, Lei; Xing, Haiqing [China Institute of Atomic Energy, P.O.Box 275-93, Beijing, 102413 (China); Balard, Henri [Laboratoire de Chimie Physique, Ecole Nationale Superieure de Chimie de Mulhouse, 3 rue Alfred Werner, 68057 Mulhouse (France)


    There exist webs of fissures inside the glass block accessible to underground water and theses fissures will influence the alteration of the glass significantly. It is very necessary to study the fissure surface properties of the glass under deep geological conditions. The alteration tests were conducted using the simulated high level radioactive glass powder immersed in Beishan (candidate disposal site) underground water with S/V ratio of 8000 m{sup -1} at 150 deg. C and 90 deg. C for different periods. After immersion, the glass powder was filtered and dried at 120 deg. C for 3 hours. The surface properties of the dried glass powder were evaluated by inverse chromatography. The results showed that the specific surface area of the glass increases abruptly at the beginning of immersion and then increase slowly afterwards. At higher immersion temperature, the secondary phase is condensing crystals; at the lower immersion temperature, the secondary phases were loosely 'islands' with cracks or fissures. (authors)

  7. PATHWAY: a simulation model of radionuclide-transport through agricultural food chains

    Energy Technology Data Exchange (ETDEWEB)

    Kirchner, T.B.; Whicker, F.W.; Otis, M.D.


    PATHWAY simulates the transport of radionuclides from fallout through an agricultural ecosystem. The agro-ecosystem is subdivided into several land management units, each of which is used either for grazing animals, for growing hay, or for growing food crops. The model simulates the transport of radionuclides by both discrete events and continuous, time-dependent processes. The discrete events include tillage of soil, harvest and storage of crops,and deposition of fallout. The continuous processes include the transport of radionuclides due to resuspension, weathering, rain splash, percolation, leaching, adsorption and desorption of radionuclides in the soil, root uptake, foliar absorption, growth and senescence of vegetation, and the ingestion assimilation, and excretion of radionuclides by animals. Preliminary validation studies indicate that the model dynamics and simulated values of radionuclide concentrations in several agricultural products agree well with measured values when the model is driven with site specific data on deposition from world-wide fallout.

  8. Simulation study on structure of water in aqueous solutions confined between graphene electrodes under very high applied electric field (United States)

    Leuty, Gary; Tsige, Mesfin; Talapatra, Saikat


    Arising from questions regarding electric double-layer capacitors utilizing graphene electrodes and aqueous electrolyte (KOH solution), atomistic MD simulations of electrolyte confined between graphene electrodes were performed to understand the behavior of electrolyte as a function of electric field strength and solution concentration, from pure water to 6M KOH. It was noted that the strength of the electric field had a demonstrable effect on the structure of pure water between the electrodes (as has previously been seen in highly confined multilayer water systems), creating regularly spaced channels and densely packed sheets of highly ordered molecules. We also saw a clear effect due to the presence of electrolyte ions and their separation from the water due to the action of the field; different field strengths appear to greatly alter the distribution of ions, which in turn affects the structure and ordering of the water. Time dependence in the strength of the electric field was also studied to determine what effect, if any, it has on induced structure. Authors gratefully acknowledge support from the ACS Petroleum Research Fund and the National Science Foundation.

  9. Can current dietary exposure models handle aggregated intake from different foods? A simulation study for the case of two foods

    NARCIS (Netherlands)

    Slob, W.; Boer, de W.J.; Voet, van der H.


    Current dietary exposure models provide estimates of long-term intake distributions using short-term food consumption survey data, by statistically modeling the aggregated intakes from different foods consumed on the same day for each participant of the survey. Food consumption behaviour in a popula

  10. Can current dietary exposure models handle aggregated intake from different foods? A simulation study for the case of two foods.

    NARCIS (Netherlands)

    Slob, W.; de Boer, W.J.; van der Voet, H.


    Current dietary exposure models provide estimates of long-term intake distributions using short-term food consumption survey data, by statistically modeling the aggregated intakes from different foods consumed on the same day for each participant of the survey. Food consumption behaviour in a popula

  11. Comparison of isopropanol and isooctane as food simulants in plasticizer migration tests. (United States)

    Papaspyrides, C D; Tingas, S G


    In the last 25 years, plastics have faced a massive demand in packaging technology due to their desirable properties, such as flexibility, light weight, etc. Moreover, their packaging applications have spread in the area of food and pharmaceutical products. Much concern has arisen from that fact as most of these plastics contain high amounts of additives which tend to migrate when they come into contact with liquid or solid surrounding media. Plasticized PVC is one of the most popular polymers in packaging technology and at the same time is subject to criticism for the high concentration levels of plasticizer in most of its applications. In an attempt to carry out simple and realistic migration tests, many investigators used simple organic substances which simulate as much as possible the behaviour of foods towards plasticizer migration. Much of our previous work intended to examine migration of dioctyl phthalate (DOP) from PVC sheets into some simple surrounding media, such as methanol, white spirit, paraffin oil, etc. The present work is focused on the examination of the plasticizer migration into two promising food simulants, namely isopropanol and isooctane. Radioactivity measurements were employed in order to detect quantitatively the plasticizer which had migrated into the surrounding liquid. In contrast to similar studies, the phenomenon of migration was studied until equilibrium was reached.

  12. Physical properties of rocks and aqueous fluids at conditions simulating near- and supercritical reservoirs (United States)

    Kummerow, Juliane; Raab, Siegfried


    The growing interest in exploiting supercritical geothermal reservoirs calls for a thorough identification and understanding of physico-chemical processes occuring in geological settings with a high heat flow. In reservoir engineering, electrical sounding methods are common geophysical exploration and monitoring tools. However, a realistic interpretation of field measurements is based on the knowledge of both, the physical properties of the rock and those of the interacting fluid at defined temperature and pressure conditions. Thus, laboratory studies at simulated in-situ conditions provide a link between the field data and the material properties in the depth. The physico-chemical properties of fluids change dramatically above the critical point, which is for pure water 374.21 °C and 221.2 bar. In supercritical fluids mass transfer and diffusion-controlled chemical reactions are enhanced and cause mineral alterations. Also, ion mobility and ion concentration are affected by the change of physical state. All this cause changes in the electrical resistivity of supercritical fluids and may have considerable effects on the porosity and hydraulic properties of the rocks they are in contact with. While there are some datasets available for physical and chemical properties of water and single component salt solutions above their critical points, there exist nearly no data for electrical properties of mixed brines, representing the composition of natural geothermal fluids. Also, the impact of fluid-rock interactions on the electrical properties of multicomponent fluids in a supercritical region is scarcely investigated. For a better understanding of fluid-driven processes in a near- and supercritical geological environment, in the framework of the EU-funded FP7 program IMAGE we have measured (1) the electrical resistivity of geothermal fluids and (2) physical properties of fluid saturated rock samples at simulated in-situ conditions. The permeability and electrical

  13. Image analysis of food particles can discriminate deficient mastication of mixed foodstuffs simulating daily meal. (United States)

    Sugimoto, K; Hashimoto, Y; Fukuike, C; Kodama, N; Minagi, S


    Because food texture is regarded as an important factor for smooth deglutition, identification of objective parameters that could provide a basis for food texture selection for elderly or dysphagic patients is of great importance. We aimed to develop an objective evaluation method of mastication using a mixed test food comprising foodstuffs, simulating daily dietary life. The particle size distribution (>2 mm in diameter) in a bolus was analysed using a digital image under dark-field illumination. Ten female participants (mean age ± s.d., 27·6 ± 2·6 years) masticated a mixed test food comprising prescribed amounts of rice, sausage, hard omelette, raw cabbage and raw cucumber with 100%, 75%, 50% and 25% of the number of their masticatory strokes. A single set of coefficient thresholds of 0·10 for the homogeneity index and 1·62 for the particle size index showed excellent discrimination of deficient masticatory conditions with high sensitivity (0·90) and specificity (0·77). Based on the results of this study, normal mastication was discriminated from deficient masticatory conditions using a large particle analysis of mixed foodstuffs, thus showing the possibility of future application of this method for objective decision-making regarding the properties of meals served to dysphagic patients.

  14. Effect of biochar addition on hydrogen and methane production in two-phase anaerobic digestion of aqueous carbohydrates food waste. (United States)

    Sunyoto, Nimas M S; Zhu, Mingming; Zhang, Zhezi; Zhang, Dongke


    Effect of biochar addition on hydrogen and methane production in two-phase anaerobic digestion of aqueous carbohydrates was studied using bench-scale bioreactors. The cultures with biochar additions were placed in 100ml reactors and incubated at 35°C and pH 5 for hydrogen production. The residual cultures were then used for methane production, incubated at 35°C and pH 7. Daily yields of hydrogen and methane and weekly yield of volatile fatty acids (VFA) were measured. The hydrogen and methane production potentials, rate and lag phases of the two phases were analysed using the Gompertz model. The results showed that biochar addition increased the maximum production rates of hydrogen by 32.5% and methane 41.6%, improved hydrogen yield by 31.0% and methane 10.0%, and shortened the lag phases in the two phases by 36.0% and 41.0%, respectively. Biochar addition also enhanced VFA generation during hydrogen production and VFA degradation in methane production.

  15. Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations. (United States)

    Lakkaraju, Sirish Kaushik; Raman, E Prabhu; Yu, Wenbo; MacKerell, Alexander D


    Solute sampling of explicit bulk-phase aqueous environments in grand canonical (GC) ensemble simulations suffer from poor convergence due to low insertion probabilities of the solutes. To address this, we developed an iterative procedure involving Grand Canonical-like Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Each iteration involves GCMC of both the solutes and water followed by MD, with the excess chemical potential (μex) of both the solute and the water oscillated to attain their target concentrations in the simulation system. By periodically varying the μex of the water and solutes over the GCMC-MD iterations, solute exchange probabilities and the spatial distributions of the solutes improved. The utility of the oscillating-μex GCMC-MD method is indicated by its ability to approximate the hydration free energy (HFE) of the individual solutes in aqueous solution as well as in dilute aqueous mixtures of multiple solutes. For seven organic solutes: benzene, propane, acetaldehyde, methanol, formamide, acetate, and methylammonium, the average μex of the solutes and the water converged close to their respective HFEs in both 1 M standard state and dilute aqueous mixture systems. The oscillating-μex GCMC methodology is also able to drive solute sampling in proteins in aqueous environments as shown using the occluded binding pocket of the T4 lysozyme L99A mutant as a model system. The approach was shown to satisfactorily reproduce the free energy of binding of benzene as well as sample the functional group requirements of the occluded pocket consistent with the crystal structures of known ligands bound to the L99A mutant as well as their relative binding affinities.

  16. Food Matrix Effects of Polyphenol Bioaccessibility from Almond Skin during Simulated Human Digestion (United States)

    Mandalari, Giuseppina; Vardakou, Maria; Faulks, Richard; Bisignano, Carlo; Martorana, Maria; Smeriglio, Antonella; Trombetta, Domenico


    The goal of the present study was to quantify the rate and extent of polyphenols released in the gastrointestinal tract (GIT) from natural (NS) and blanched (BS) almond skins. A dynamic gastric model of digestion which provides a realistic simulation of the human stomach was used. In order to establish the effect of a food matrix on polyphenols bioaccessibility, NS and BS were either digested in water (WT) or incorporated into home-made biscuits (HB), crisp-bread (CB) and full-fat milk (FM). Phenolic acids were the most bioaccessible class (68.5% release from NS and 64.7% from BS). WT increased the release of flavan-3-ols (p antioxidant status in the digestion medium, indicating that phenolic compounds could bind protein present in the food matrix. The release of bioactives from almond skins could explain the beneficial effects associated with almond consumption. PMID:27649239

  17. Computer aided simulation for developing a simple model to predict cooling of packaged foods

    DEFF Research Database (Denmark)

    Christensen, Martin Gram; Feyissa, Aberham Hailu; Adler-Nissen, Jens

    A new equation to predict equilibrium temperatures for cooling operations of packaged foods has been deducted from the traditional 1st order solution to Fourier’s heat transfer equations. The equation is analytical in form and only requires measurable parameters, in form of area vs. volume ratio (A...... are too laborious or impossible to conduct. The deducted equation was tested for irregular geometries, unequal heat transfer and headspace restrictions. The new equation predicted equilibrium temperature curves of the simulated cooling with a low error (1.5°C for Fourier numbers below 0.3) and good...

  18. The solvent shell structure of aqueous iodide: X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Pham, V.T. [Ecole Polytechnique Federale de Lausanne, Laboratoire de spectroscopie ultrarapide, ISIC, FSB-BSP, CH-1015 Lausanne (Switzerland); Tavernelli, I. [Ecole Polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BSP, CH-1015 Lausanne (Switzerland); Milne, C.J.; van der Veen, R.M. [Ecole Polytechnique Federale de Lausanne, Laboratoire de spectroscopie ultrarapide, ISIC, FSB-BSP, CH-1015 Lausanne (Switzerland); D' Angelo, P. [Dipartimento di Chimica, Universita di Roma ' La Sapienza' , Ple A. Moro 5, 00185 Roma (Italy); Bressler, Ch. [Ecole Polytechnique Federale de Lausanne, Laboratoire de spectroscopie ultrarapide, ISIC, FSB-BSP, CH-1015 Lausanne (Switzerland); Chergui, M., E-mail: [Ecole Polytechnique Federale de Lausanne, Laboratoire de spectroscopie ultrarapide, ISIC, FSB-BSP, CH-1015 Lausanne (Switzerland)


    Graphical abstract: The L{sub 3}-edge EXAFS spectra of aqueous iodide are compared to classical, QM/MM and DFT-based molecular dynamics simulations. The QM/MM simulations reproduce best the experimental data. An anisotropy of the solvation shell is also identified. - Abstract: The L{sub 3} X-ray absorption spectrum of aqueous iodide is reported, and its EXAFS is compared to theoretical spectra reconstructed from the radial distribution function of the iodide hydration obtained from classical, hybrid Quantum Mechanics Molecular Mechanics, (QM/MM) and full quantum (density functional theory, DFT) molecular dynamics simulations. Since EXAFS is mainly sensitive to short distances around the iodide ion, it is a direct probe of the local solvation structure. The comparison shows that QM/MM simulations deliver a satisfactory description of the EXAFS signal, while nonpolarizable classical simulations are somewhat less satisfactory and DFT-based simulations perform poorly. We also identify a weak anisotropy of the water solvation shell around iodide, which may be of importance in electron photoejection experiments.

  19. Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: Comparison of different solvent models. (United States)

    Chevrot, G; Schurhammer, R; Wipff, G


    We report a Molecular Dynamics (MD) study of the interface between water and the hygroscopic room temperature Ionic Liquid "IL" [BMI][PF6] (1-butyl-3-methyl-imidazolium hexafluorophosphate), comparing the TIP3P, SPC/E and TIP5P models for water and two IL models where the ions are +/-1 or +/-0.9 charged. A recent MD study (A. Chaumont, R. Schurhammer and G. Wipff, J. Phys. Chem. B, 2005, 109, 18964) showed that using TIP3P water in conjunction with the IL(+/-1) model led to water-IL mixing without forming an interface, whereas a biphasic system could be obtained with the IL(+/-0.9) model. With the TIP5P and SPC/E models, the juxtaposed aqueous and IL phases are found to remain distinct for at least 20 ns. The resulting IL humidity, exaggerated with the IL(+/-1) model, is in better agreement with experiment using the IL(+/-0.9) model. We also report demixing simulations on the "randomly mixed" liquids, using the IL(+/-0.9) model for the ionic liquid. With the three tested water models, the phases separate very slowly ( approximately 20 ns or more) compared to "classical" chloroform-water mixtures (less than 1 ns), leading to biphasic systems similar to those obtained after equilibration of the juxtaposed liquids. The characteristics of the interface (size, polarity, ion orientation, electrostatic potential) are compared with the different models. Possible reasons why, among the three tested water models, the widely-used TIP3P model exaggerates the inter-solvent mixing, are analyzed. The difficulty in computationally and experimentally equilibrating water-IL mixtures is attributed to the slow dynamics and micro-heterogeneity of the IL and to the different states of water in the IL phase.

  20. Determination of bisphenol A in food-simulating liquids using LCED with a chemically modified electrode. (United States)

    D'Antuono, A; Dall'Orto, V C; Lo Balbo, A; Sobral, S; Rezzano, I


    Liquid chromatography with electrochemical detector (LC-ED), using a chemically modified electrode coated with a metalloporphyrin film, is reported for determination of bisphenol A (BPA) migration from polycarbonate baby bottles. The extraction process of the samples was performed according to regulations of the Southern Common Market (MERCOSUR), where certain food-simulating liquids [(A) distilled water, (B) acetic acid 3% V/V in distilled water, and (C) ethanol 15% V/V in distilled water] are defined along with controlled time and temperature conditions. The baseline obtained using the naked electrode showed a considerable drift which increased the detection limit. This effect was suppressed with the chemically modified electrode. A linear range up to 450 ppb along with a detection limit of 20 ppb for the amperometric detection technique was observed. The procedure described herein allowed lowering the detection limit of the method to 0.2 ppb. The value found for BPA in the food-simulating liquid is 1.2 ppb, which is below the tolerance limit for specific migration (4.8 ppm).

  1. Development of Three-Layer Simulation Model for Freezing Process of Food Solution Systems (United States)

    Kaminishi, Koji; Araki, Tetsuya; Shirakashi, Ryo; Ueno, Shigeaki; Sagara, Yasuyuki

    A numerical model has been developed for simulating freezing phenomena of food solution systems. The cell model was simplified to apply to food solution systems, incorporating with the existence of 3 parts such as unfrozen, frozen and moving boundary layers. Moreover, the moving rate of freezing front model was also introduced and calculated by using the variable space network method proposed by Murray and Landis (1957). To demonstrate the validity of the model, it was applied to the freezing processes of coffee solutions. Since the model required the phase diagram of the material to be frozen, the initial freezing temperatures of 1-55 % coffee solutions were measured by the DSC method. The effective thermal conductivity for coffee solutions was determined as a function of temperature and solute concentration by using the Maxwell - Eucken model. One-dimensional freezing process of 10 % coffee solution was simulated based on its phase diagram and thermo-physical properties. The results were good agreement with the experimental data and then showed that the model could accurately describe the change in the location of the freezing front and the distributions of temperature as well as ice fraction during a freezing process.

  2. Migration of photoinitiators from paper to fatty food simulants: experimental studies and model application. (United States)

    Han, Bo; Ding, Li; Su, Rongxin; Chen, Lei; Wang, Libing; Qi, Wei; He, Zhimin


    The migration of five different photoinitiators from kraft paper to two fatty food simulants, Tenax(®) and 95% ethanol, was investigated under different conditions. The effects of temperature and storage time, as well as the physicochemical properties of the photoinitiators on migration, were discussed. Mathematical models based on Fick's second law generated from two cases, single- and two-side contacts, were applied to predict the migration behaviour from the paper to the food simulants. The partition coefficients estimated from the model decreased with temperature. The diffusion coefficients of the selected photoinitiators from the paper ranged from 1.55 × 10(-10) to 7.54 × 10(-9) cm(2) s(-1) for Tenax and from 2.79 × 10(-9) to 8.03 × 10(-8) cm(2) s(-1) for 95% ethanol. The results indicate that the applied model can predict the migration of photoinitiators in the initial short period before equilibrium, and the migration from paper to Tenax through a single-side contact demonstrated an especially high concordance.

  3. Optimizing cropland cover for stable food production in Sub-Saharan Africa using simulated yield and Modern Portfolio Theory (United States)

    Bodin, P.; Olin, S.; Pugh, T. A. M.; Arneth, A.


    Food security can be defined as stable access to food of good nutritional quality. In Sub Saharan Africa access to food is strongly linked to local food production and the capacity to generate enough calories to sustain the local population. Therefore it is important in these regions to generate not only sufficiently high yields but also to reduce interannual variability in food production. Traditionally, climate impact simulation studies have focused on factors that underlie maximum productivity ignoring the variability in yield. By using Modern Portfolio Theory, a method stemming from economics, we here calculate optimum current and future crop selection that maintain current yield while minimizing variance, vs. maintaining variance while maximizing yield. Based on simulated yield using the LPJ-GUESS dynamic vegetation model, the results show that current cropland distribution for many crops is close to these optimum distributions. Even so, the optimizations displayed substantial potential to either increase food production and/or to decrease its variance regionally. Our approach can also be seen as a method to create future scenarios for the sown areas of crops in regions where local food production is important for food security.

  4. Growth mechanism of a gas clathrate hydrate from a dilute aqueous gas solution: a molecular dynamics simulation of a three-phase system. (United States)

    Nada, Hiroki


    A molecular dynamics simulation of a three-phase system including a gas clathrate, liquid water, and a gas was carried out at 298 K and high pressure in order to investigate the growth mechanism of the clathrate from a dilute aqueous gas solution. The simulation indicated that the clathrate grew on interfaces between the clathrate and the liquid water, after transfer of the gas molecules from the gas phase to the interfaces. The results suggest a two-step process for growth: first, gas molecules are arranged at cage sites, and second, H(2)O molecules are ordered near the gas molecules. The results also suggest that only the H(2)O molecules, which are surrounded or sandwiched by the gas molecules, form the stable polygons that constitute the cages of the clathrate. In addition, the growth of the clathrate from a concentrated aqueous gas solution was also simulated, and the results suggested a growth mechanism in which many H(2)O and gas molecules correctively form the structure of the clathrate. The clathrate grown from the concentrated solution contained some empty cages, whereas the formation of empty cages was not observed during the growth from the dilute solution. The results obtained by both simulations are compared with the results of an experimental study, and the growth mechanism of the clathrate in a real system is discussed.

  5. Food Matrix Effects of Polyphenol Bioaccessibility from Almond Skin during Simulated Human Digestion

    Directory of Open Access Journals (Sweden)

    Giuseppina Mandalari


    Full Text Available The goal of the present study was to quantify the rate and extent of polyphenols released in the gastrointestinal tract (GIT from natural (NS and blanched (BS almond skins. A dynamic gastric model of digestion which provides a realistic simulation of the human stomach was used. In order to establish the effect of a food matrix on polyphenols bioaccessibility, NS and BS were either digested in water (WT or incorporated into home-made biscuits (HB, crisp-bread (CB and full-fat milk (FM. Phenolic acids were the most bioaccessible class (68.5% release from NS and 64.7% from BS. WT increased the release of flavan-3-ols (p < 0.05 and flavonols (p < 0.05 from NS after gastric plus duodenal digestion, whereas CB and HB were better vehicles for BS. FM lowered the % recovery of polyphenols, the free total phenols and the antioxidant status in the digestion medium, indicating that phenolic compounds could bind protein present in the food matrix. The release of bioactives from almond skins could explain the beneficial effects associated with almond consumption.

  6. Theoretical aspects of non-newtonian fluids flow simulation in food technologies

    Directory of Open Access Journals (Sweden)

    E. Biletskii


    Full Text Available Introduction. The problems of simulating viscoplastic longitudinal and cross-sectional flow of non-Newtonian fluids are overviewed. Materials and methods. For the first time the superposition method by expressing the components of the stress tensor for building flow fields with higher dimension from flow fields with lower dimension with various boundary conditions when rheological parameters change depending on pressure was used. The flows in the channel are categorized by velocity and pressure values in each point of the section. Results.The theoretical methods for simulating flows of non-Newtonian fluids in channels of different geometry with moving bounds and pressure drop on channel edges with respect to functional connections between main process parameters are described using the superposition method. It is shown that longitudinal and cross-sectional are reduced to the collection of one-dimensional longitudinal flows of the same type which allow to describe three-dimensional isothermal in rectangular channel and two-dimensional flows in flat channels with different channel aspect ratio. The received theoretical two- and three-dimensional model of viscous flows in channels with basic geometry allow to research main regularities of the process and to establish optimal macro-kinetic and macro-dynamic flow characteristics of non-Newtonian materials which are aimed at reducing energy costs and material consumption of food processing equipment. Conclusion.The developed and theoretically reasonable three-dimensional models flows of non-Newtonian fluids in channels allow to perform qualitatively new design of food processing equipment which allows to reduce energy costs and material consumption.

  7. Identification of unknown compounds from polyester cans coatings that may potentially migrate into food or food simulants. (United States)

    Paseiro-Cerrato, Rafael; MacMahon, Shaun; Ridge, Clark D; Noonan, Gregory O; Begley, Timothy H


    Cross-linked polyester resins are being introduced into the market as alternatives to epoxy resins as coatings for metal food cans. Identification of potential migrants, from these coatings into food, is a significant analytical challenge due to the diversity of substances employed in the manufacture of the coatings. However, such identification is required to assess migration from the can coating into the food and quantify dietary exposure. Polyester can coatings were extracted with acetonitrile at 40°C for 24h and the extracts were analyzed by a variety of analytical techniques, including GC-MS, HPLC-DAD/MS, HPLC-DAD/CAD and UHPL C-HRMS. Twenty nine non-volatile oligomers were tentatively identified using retention times, UV spectra, and accurate mass measurements. Identified oligomers suggest the coating in use for food cans is a polyester coating and is mainly based on the monomers isophthalic acid, terephthalic acid and nadic acid. To give confidence in the identification, one of the tentatively identified oligomer was synthetized and analyzed by (13)C and (1)H NMR and UHPL C-HRMS. The NMR and HRMS results, confirmed the presence of this compound in the can extracts. Finally, to determine if rapid, direct detection of the oligomers was practical, the coatings were analyzed by DART-HRMS. Twenty three out of the 29 oligomers were identified in the coating by direct measurement with DART-HRMS in few minutes.

  8. Laboratory simulation for the aqueous OH-oxidation of methyl vinyl ketone and methacrolein: significance to the in-cloud SOA production

    Directory of Open Access Journals (Sweden)

    X. Zhang


    Full Text Available Increasing evidence suggests that secondary organic aerosol (SOA is formed through aqueous phase reactions in atmospheric clouds. In the present study, the aqueous oxidation of methyl vinyl ketone (MVK and methacrolein (MACR via OH radical were investigated, with an emphasis on the composition and variation of small-molecular-weight organic products. In addition, high-molecular-weight compounds (HMWs were found, interpreted as the ion abundance and time evolution. Our results provide, for the first time to our knowledge, experimental evidence that aqueous OH-oxidation of MVK contributes to SOA formation. Further, a mechanism primarily involving radical processes was proposed to gain a basic understanding of these two reactions. Based on the assumed mechanism, a kinetic model was developed for comparison with the experimental results. The model reproduced the observed profiles of first-generation intermediates, but failed to simulate the kinetics of most organic acids mainly due to the lack of chemical kinetics parameters for HMWs. A sensitivity analysis was performed in terms of the effect of stoichiometric coefficients for precursors on oxalic acid yields and the result indicates that additional pathways involving HMWs chemistry might play an important role in the formation of oxalic acid. We suggest that further study is needed for better understanding the behavior of multi-functional products and their contribution to the oxalic acid formation.

  9. A study of elemental migration from poly(ethylene terephthalate) of food packagings to simulated solutions by radiometric method

    Energy Technology Data Exchange (ETDEWEB)

    Soares, Eufemia Paez [Escola SENAI Fundacao Zerrenner, Sao Paulo, SP (Brazil)]|[Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], E-mail:; Saki, Mitiko; Silva, Leonardo G.A. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], E-mail:, E-mail:


    Brazilian plastic production for food packagings, in recent years, has grown in the same proportion as food consumption. Considering that the plastic manufacturing involves catalytic processes and the use of additives, when the foods are in direct contact with these materials, the components present in plastics may migrate to the food. The Brazilian Health Surveillance Agency (ANVISA) has established boundary-values of migrants as well as procedures to evaluate migration of elements and substances from plastic packaging to food. In this study elemental composition of poly (ethylene terephthalate) - PET - packaging and results of elemental migration were obtained. Instrumental Neutron Activation Analysis (INAA) was used to determine elemental concentrations in PET packagings and the radiometric method was applied for elemental migration determination. This radiometric method consisted of irradiating the PET samples with neutrons, followed by migration exposition and radioactivity measurement in food-simulated solution. Experimental conditions used for migration were 10 days exposure period at 40 deg C. Migration was evaluated for soft drink, juice and water PET packaging. The analytical results indicated that PET packagings contain Co and Sb and those elements are transferred to the simulated solutions. However, these migration results were lower than the maximum tolerance values established by ANVISA. The migration detection limits also indicated high sensitivity of the radiometric method. (author)

  10. Effects of food type on diel behaviours of common carp Cyprinus carpio in simulated aquaculture pond conditions

    NARCIS (Netherlands)

    Rahman, M.M.; Meyer, C.G.


    In order to better understand behaviour patterns of common carp Cyprinus carpio in aquaculture ponds, their diel grazing, swimming, resting and schooling behaviours were observed in six 1 m(2) tanks under simulated pond conditions. Each tank was fertilized to stimulate natural food production before

  11. Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl. (United States)

    Moučka, Filip; Lísal, Martin; Škvor, Jiří; Jirsák, Jan; Nezbeda, Ivo; Smith, William R


    We present a new and computationally efficient methodology using osmotic ensemble Monte Carlo (OEMC) simulation to calculate chemical potential-concentration curves and the solubility of aqueous electrolytes. The method avoids calculations for the solid phase, incorporating readily available data from thermochemical tables that are based on well-defined reference states. It performs simulations of the aqueous solution at a fixed number of water molecules, pressure, temperature, and specified overall electrolyte chemical potential. Insertion/deletion of ions to/from the system is implemented using fractional ions, which are coupled to the system via a coupling parameter λ that varies between 0 (no interaction between the fractional ions and the other particles in the system) and 1 (full interaction between the fractional ions and the other particles of the system). Transitions between λ-states are accepted with a probability following from the osmotic ensemble partition function. Biasing weights associated with the λ-states are used in order to efficiently realize transitions between them; these are determined by means of the Wang-Landau method. We also propose a novel scaling procedure for λ, which can be used for both nonpolarizable and polarizable models of aqueous electrolyte systems. The approach is readily extended to involve other solvents, multiple electrolytes, and species complexation reactions. The method is illustrated for NaCl, using SPC/E water and several force field models for NaCl from the literature, and the results are compared with experiment at ambient conditions. Good agreement is obtained for the chemical potential-concentration curve and the solubility prediction is reasonable. Future improvements to the predictions will require improved force field models.

  12. Biotransformation and Incorporation into Proteins along a Simulated Terrestrial Food Chain

    Energy Technology Data Exchange (ETDEWEB)

    Unrine, J.M., B.P. Jackson and W.A. Hopkins


    Selenium is an essential trace element in vertebrates, but there is a narrow concentration range between dietary requirement and toxicity threshold. Although a great deal is known about the biochemistry of Se from a nutritional perspective, considerably less attention has been focused on the specific biochemistry of Se as an environmental toxicant. Recent advances in hyphenated analytical techniques have provided the capability of quantifying specific chemical forms of Se in biological tissues as well as the distribution of Se among macromolecules. We applied liquid chromatography coupled to inductively coupled plasma mass spectrometry to investigate biotransformations of selenomethionine along a simulated terrestrial food chain consisting of selenomethionine exposed crickets (Acheta domesticus) fed to western fence lizards (Sceloporus occidentalis). Evidence was obtained for selenomethionine biotransformation as well as for sex-specific differences in the metabolism of Se compounds and their subsequent incorporation into proteins in the lizard. The results demonstrate the complexities involved in trophic transfer of Se due to the potential for extensive biotransformation and the species- and even sex-specific nature of these biotransformations.

  13. Nano-cerium vanadate: A novel inorganic ion exchanger for removal of americium and uranium from simulated aqueous nuclear waste

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Chayan; Dudwadkar, Nilesh [Fuel Reprocessing Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Tripathi, Subhash Chandra, E-mail: [Fuel Reprocessing Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Gandhi, Pritam Maniklal [Fuel Reprocessing Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Grover, Vinita [Waste Management Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Kaushik, Chetan Prakash [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Tyagi, Avesh Kumar, E-mail: [Waste Management Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)


    Highlights: • Template free, low temperature synthesis of CeVO{sub 4} nanopowders. • Thermodynamically and kinetically favourable uptake of Am(III) and U(VI) exhibited. • K{sub d} and ΔG° values for Am(III) and U(VI) uptake in pH 1–6 are reported. • Interdiffusion coefficients and zeta potential values in pH 1–6 are reported. • Possible application in low level aqueous nuclear waste remediation. - Abstract: Cerium vanadate nanopowders were synthesized by a facile low temperature co-precipitation method. The product was characterized by X-ray diffraction and transmission electron microscopy and found to consist of ∼25 nm spherical nanoparticles. The efficiency of these nanopowders for uptake of alpha-emitting radionuclides {sup 233}U (4.82 MeV α) and {sup 241}Am (5.49 MeV α, 60 keV γ) has been investigated. Thermodynamically and kinetically favorable uptake of these radionuclides resulted in their complete removal within 3 h from aqueous acidic feed solutions. The uptake capacity was observed to increase with increase in pH as the zeta potential value decreased with the increase in pH but effect of ionic strength was insignificant. Little influence of the ions like Sr{sup 2+}, Ru{sup 3+}, Fe{sup 3+}, etc., in the uptake process indicated CeVO{sub 4} nanopowders to be amenable for practical applications. The isotherms indicated predominant uptake of the radioactive metal ions in the solid phase of the exchanger at lower feed concentrations and linear Kielland plots with positive slopes indicated favorable exchange of the metal ions with the nanopowder. Performance comparison with the other sorbents reported indicated excellent potential of nano-cerium vanadate for removing americium and uranium from large volumes of aqueous acidic solutions.

  14. Separation, concentration and determination of chloramphenicol in environment and food using an ionic liquid/salt aqueous two-phase flotation system coupled with high-performance liquid chromatography. (United States)

    Han, Juan; Wang, Yun; Yu, Cuilan; Li, Chunxiang; Yan, Yongsheng; Liu, Yan; Wang, Liang


    Ionic liquid-salt aqueous two-phase flotation (ILATPF) is a novel, green, non-toxic and sensitive samples pretreatment technique. ILATPF coupled with high-performance liquid chromatography (HPLC) was developed for the analysis of chloramphenicol, which combines ionic liquid aqueous two-phase system (ILATPS) based on imidazolium ionic liquid (1-butyl-3-methylimidazolium chloride, [C(4)mim]Cl) and inorganic salt (K(2)HPO(4)) with solvent sublation. In ILATPF systems, phase behaviors of the ILATPF were studied for different types of ionic liquids and salts. The sublation efficiency of chloramphenicol in [C(4)mim]Cl-K(2)HPO(4) ILATPF was influenced by the types of salts, concentration of K(2)HPO(4) in aqueous solution, solution pH, nitrogen flow rate, sublation time and the amount of [C(4)mim]Cl. Under the optimum conditions, the average sublation efficiency is up to 98.5%. The mechanism of ILATPF contains two principal processes. One is the mechanism of IL-salt ILATPS formation, the other is solvent sublation. This method was practical when applied to the analysis of chloramphenicol in lake water, feed water, milk, and honey samples with the linear range of 0.5-500 ng mL(-1). The method yielded limit of detection (LOD) of 0.1 ng mL(-1) and limit of quantification (LOQ) of 0.3 ng mL(-1). The recovery of CAP was 97.1-101.9% from aqueous samples of environmental and food samples by the proposed method. Compared with liquid-liquid extraction, solvent sublation and ionic liquid aqueous two-phase extraction, ILATPF can not only separate and concentrate chloramphenicol with high sublation efficiency, but also efficiently reduce the wastage of IL. This novel technique is much simpler and more environmentally friendly and is suggested to have important applications for the concentration and separation of other small biomolecules.

  15. Nano-cerium vanadate: a novel inorganic ion exchanger for removal of americium and uranium from simulated aqueous nuclear waste. (United States)

    Banerjee, Chayan; Dudwadkar, Nilesh; Tripathi, Subhash Chandra; Gandhi, Pritam Maniklal; Grover, Vinita; Kaushik, Chetan Prakash; Tyagi, Avesh Kumar


    Cerium vanadate nanopowders were synthesized by a facile low temperature co-precipitation method. The product was characterized by X-ray diffraction and transmission electron microscopy and found to consist of ∼25 nm spherical nanoparticles. The efficiency of these nanopowders for uptake of alpha-emitting radionuclides (233)U (4.82 MeV α) and (241)Am (5.49 MeV α, 60 keV γ) has been investigated. Thermodynamically and kinetically favorable uptake of these radionuclides resulted in their complete removal within 3h from aqueous acidic feed solutions. The uptake capacity was observed to increase with increase in pH as the zeta potential value decreased with the increase in pH but effect of ionic strength was insignificant. Little influence of the ions like Sr(2+), Ru(3+), Fe(3+), etc., in the uptake process indicated CeVO4 nanopowders to be amenable for practical applications. The isotherms indicated predominant uptake of the radioactive metal ions in the solid phase of the exchanger at lower feed concentrations and linear Kielland plots with positive slopes indicated favorable exchange of the metal ions with the nanopowder. Performance comparison with the other sorbents reported indicated excellent potential of nano-cerium vanadate for removing americium and uranium from large volumes of aqueous acidic solutions.

  16. Transfer of Paralytic Shellfish Toxins via Marine Food Chains:A Simulated Experiment

    Institute of Scientific and Technical Information of China (English)



    Objective To study the transfer of paralytic shellfish toxins(PST)using four simulated marine food chains:d8noflagellate Alexandrium tamarense→Artemia Anemia salina→Mysid shrimp Neomysis awatschensis;A.tamarense→N.awatschensis:A.tamarense→A.salina→Perch Lateolabrax japonicus;and A.tamarenae→L. japonicus. Methods The ingestion of A.tamarenge.a producer of PST, by L. japonicus,N.awatschensis,and A.salina was first confirmed by microscopic observation of A.tamarense cells in the intestine samples of the three different organisms,and by the analysis of Chl.a levels in the samples.Toxin accumulation in L.japonicus and N.awatschensis directly from the feeding on A.tamarense 8r indirectly through the vector of A.salina was then studied.The toxicity of samples was measured using the AOAC mouse bioassay method,and the toxin content and profile of A.tamarense were analyzed by the HPLC method.Results Both A.salina and N.nwatschensis could ingest A.tamarense cells.However,the ingestion capability of A.salina exceeded that of N.L. japonicus.N.awatschensis and A.salina by microscopic observation.Therefore,the three organisms could ingest A.tamarense cells directly.A.salina could accumulate high content of PST,and the toxicity of A.salina in samples collected on of tested mice within 7 minutes,and the toxin content in artemia sample collected on the lst day was estimated to be 1.65×10-5 μg STX equal/individual.Toxin accumulation in L.japonicus and N.awatschensis directly from the feeding on A.tamarense or indirectly from the vector of A.salina was also studied.The mice injected with extracts from L.japonicus and N. awatschensis samples that accumulated PST either directly or indirectly showed PST intoxication symptoms,indicating that low levels of PST existed in these samples Conclusion Paralytic shellfish toxins can be transferred to L.japonicus,N.awatschensis,and A.salina from A.tamarense directly or indirectly via the food chains.

  17. Laboratory simulation for the aqueous OH-oxidation of methyl vinyl ketone and methacrolein: significance to the in-cloud SOA production

    Directory of Open Access Journals (Sweden)

    X. Zhang


    Full Text Available Increasing evidence suggests that secondary organic aerosol (SOA is formed through aqueous phase reactions in atmospheric clouds. In the present study, the aqueous oxidation of methyl vinyl ketone (MVK and methacrolein (MACR via OH radical were investigated under conditions typical of cloud droplets, with an emphasis on the composition and variation of oxygenated organic products. In addition to the small products, high-molecular-weight compounds (HMCs with an oligomer system was found, interpreted as the ion abundance and time evolution. We observed the SOA yields of 23.8% and 8.8% from MVK–OH and MACR–OH reactions, respectively, for the entire 7 h experiment. Our results provide, for the first time to our knowledge, experimental evidence that aqueous OH-oxidation of MVK contributes to SOA formation. Further, a mechanism primarily involving radical processes was proposed to gain a basic understanding of these two reactions. Based on the assumed mechanism, a specific box model was developed for comparison with the experimental results. The model reproduced the observed profiles of first-generation intermediates, but failed to simulate the kinetics of most organic acids mainly due to the lack of chemical kinetics parameters for HMCs. A sensitivity analysis was performed in terms of the effect of reaction branching ratios on oxalic acid yields and the result indicates that additional pathways involving HMCs chemistry might play an important role in the formation of oxalic acid. We suggest that corresponding experiments are needed for better understanding the behavior of multi-functional products and their contribution to the oxalic acid formation.

  18. TES buffer-induced phase separation of aqueous solutions of several water-miscible organic solvents at 298.15 K: phase diagrams and molecular dynamic simulations. (United States)

    Taha, Mohamed; Lee, Ming-Jer


    Water and the organic solvents tetrahydrofuran, 1,3-dioxolane, 1,4-dioxane, 1-propanol, 2-propanol, tert-butanol, acetonitrile, or acetone are completely miscible in all proportions at room temperature. Here, we present new buffering-out phase separation systems that the above mentioned organic aqueous solutions can be induced to form two liquid phases in the presence of a biological buffer 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid (TES). The lower liquid phase is rich in water and buffer, and the upper phase is organic rich. This observation has both practical and mechanistic interests. The phase diagrams of these systems were constructed by experimental measurements at ambient conditions. Molecular dynamic (MD) simulations were performed for TES + water + THF system to understand the interactions between TES, water, and organic solvent at molecular level. Several composition-sets for this system, beyond and inside the liquid-liquid phase-splitting region, have been simulated. Interestingly, the MD simulation for compositions inside the phase separation region showed that THF molecules are forced out from the water network to start forming a new liquid phase. The hydrogen-bonds, hydrogen-bonds lifetimes, hydrogen-bond energies, radial distribution functions, coordination numbers, the electrostatic interactions, and the van der Waals interactions between the different pairs have been calculated. Additionally, MD simulations for TES + water + tert-butanol∕acetonitrile∕acetone phase separation systems were simulated. The results from MD simulations provide an explanation for the buffering-out phenomena observed in [TES + water + organic solvent] systems by a mechanism controlled by the competitive interactions of the buffer and the organic solvent with water. The molecular mechanism reported here is helpful for designing new benign separation materials.

  19. Development of an in vitro system simulating bucco-gastric digestion to assess the physical and chemical changes of food. (United States)

    Hoebler, C; Lecannu, G; Belleville, C; Devaux, M-F; Popineau, Y; Barry, J-L


    The release of nutrients from solid food depends on the physical and chemical characteristics of substrates, and on dynamic physiological events including pH, gastric emptying and enzymatic secretion. Our laboratory has developed an in vitro digestive system mimicking mouth and stomach processes to determine physical and chemical changes of bread during digestion. To simulate oral-phase digestion, bread was minced and subjected to in vitro amylase digestion, releasing 219 +/- 11 g oligosaccharides/kg total carbohydrate. During the gastric phase, bread proteins, which are converted into insoluble aggregated proteins during breadmaking, were emptied in various states of peptic digestion: undigested aggregated proteins and degraded proteins of intermediate and low molecular weight. The mean particle size of ground bread decreased progressively to the end of the gastric digestion (from 292 to 109 microm). The in vitro digestive system proved to be a useful tool for understanding the dynamic digestion of various food components held within the structure of a food matrix.

  20. Effect of food and oral simulating fluids on structure of adhesive composite systems. (United States)

    Lee, S Y; Greener, E H; Mueller, H J


    This work evaluates the degradation of three adhesive/composite systems (Tenure/Marathon One. Scotchbond Multi-Purpose/Z100 and Optibond/Herculite XRV) upon immersion in 75% ethanol solution and in an artificial saliva (Moi-Stir). Shear bond strength (SBS) and diametral tensile strength (DTS) specimens were employed for this study. For the SBS specimens, the bonded interface and composite were exposed to food and oral simulating fluids at 37 degrees C for up to 30 days. A similar control series was stored in air. DTS specimens were stored in 75% ethanol at 37 degrees C for up to 30 days. The SBS specimens were sheared to failure. Small quantities of bonding resin were removed from the tooth side of the fractured surface and from the non-fractured fractured end of the composite for Fourier transform infrared microscopic evaluation. Similar scrapings were taken from DTS specimen surfaces. The infrared absorbance intensity (AI) of the major peaks was measured as a function of storage time and ratioed against the aromatic C = C (1609.4 cm-1) peak. The data were analysed using ANOVA and the Tukey LSD test. The AI of major peaks was similar for the materials stored either in air or in Moi-Stir for all testing periods. Storage in ethanol caused the AI of aliphatic C = C (1638 cm-1) and of O-H (approximately 3500 cm-1) bonds to significantly decrease (30-50%) for specimens of bonding resin while the AI of C = O bonds (1730 cm-1) increased (60-120%).(ABSTRACT TRUNCATED AT 250 WORDS)

  1. Effect of food simulating liquids on release of monomers from two dental resin composites

    Directory of Open Access Journals (Sweden)

    Ghavam M


    Full Text Available "nBackground and Aims: The elution of residual monomers from cured dental composites to oral cavity has a harmful effect on human health and can affect their clinical durability. The purpose of this study was to evaluate the amount of eluted monomers (Bis-GMA, TEGDMA, UDMA from two types of composites (Gradia and P60 after exposure to food simulating liquids such as ethanol (25, 50, 75 % and heptane 50 % for 24 hours and 7 days. "nMaterials and Methods: Forty specimens of each composite were prepared. Equal numbers of each composite were immersed in tubes containing 2cc volumes of 25, 50, 75 % ethanole and 50 % heptane. The amount of eluted monomers in standard condition such as Bis-GMA, TEGDMA and UDMA was measured by GC/MS (Gas Chromatography/Mass Spectroscopy and results were statistically analysed by three way and one way ANOVA. P<0.05 was considered as the level of significancy. "nResults: The results showed that Gradia released more TEGDMA than P60. In assessing the effect of environment, the result showed that ethanol caused releasing monomers more than heptane and the concentration rate of 75 % ethanole resulted in most releasing of monomers. In assessing the effect of time, the observation showed that more monomers were released 7 days compared to 24 hours. Bis-GMA and UDMA were not detected in any solutions in these conditions. "nConclusion: Ethanole caused more release of monomers than heptane and 75 % ethanole released the most amount of monomers. Gradia released more amount of TEGDMA than P60.

  2. Effects of the Food Manufacturing Chain on the Viability and Functionality of Bifidobacterium animalis through Simulated Gastrointestinal Conditions.

    Directory of Open Access Journals (Sweden)

    Pattra Charnchai

    Full Text Available The viability and functionality of probiotics may be influenced by industrial production processes resulting in a decrease in probiotic efficiency that benefit the health of humans. This study aimed to investigate the probiotic characteristics of Bifidobacterium strains isolated from fecal samples of healthy Thai infants. In the present work, three local strains (BF014, BF052, and BH053 belonging to Bifidobacterium animalis showed a great resistance against conditions simulating the gastrointestinal tract. Among these, B. animalis BF052 possessed considerable probiotic properties, including high acid and bile tolerance, strong adhesion capability to Caco-2 cells, and inhibitory activity against pathogens including Salmonella typhimurium and Vibrio cholerae. This strain also exhibited a high survival rate compared to commercial strains during storage in a wide variety of products, including pasteurized milk, soy milk, drinking yogurt, and orange juice. The impact of food processing processes as well as the freeze-drying process, storage of freeze-dried powders, and incorporation of freeze-dried cells in food matrix on probiotic properties was also determined. The stability of the probiotic properties of the BF052 strain was not affected by food processing chain, especially its resistance in the simulated gastrointestinal conditions and its adherence ability to Caco-2 cells. It indicates that it satisfies the criteria as a potential probiotic and may be used as an effective probiotic starter in food applications.

  3. Field-Amplified Sample Injection-Micellar Electrokinetic Chromatography for the Determination of Benzophenones in Food Simulants

    Directory of Open Access Journals (Sweden)

    Cristina Félez


    Full Text Available A field-amplified sample injection-micellar electrokinetic chromatography (FASI-MEKC method for the determination of 14 benzophenones (BPs in a food simulant used in migration studies of food packaging materials was developed, allowing almost baseline separation in less than 21 min. The use of a 10 mM sodium dodecyl sulfate (SDS solution as sample matrix was mandatory to achieve FASI enhancement of the analyzed BPs. A 21- to 784-fold sensitivity enhancement was achieved with FASI-MEKC, obtaining limits of detection down to 5.1–68.4 µg/L, with acceptable run-to-run precisions (RSD values lower than 22.3% and accuracy (relative errors lower than 21.0%. Method performance was evaluated by quantifying BPs in the food simulant spiked at 500 µg/L (bellow the established specific migration limit for BP (600 µg/L by EU legislation. For a 95% confidence level, no statistical differences were observed between found and spiked concentrations (probability at the confidence level, p value, of 0.55, showing that the proposed FASI-MEKC method is suitable for the analysis of BPs in food packaging migration studies at the levels established by EU legislation.

  4. Enhancing Student Learning in Food Engineering Using Computational Fluid Dynamics Simulations (United States)

    Wong, Shin Y.; Connelly, Robin K.; Hartel, Richard W.


    The current generation of students coming into food science and engineering programs is very visually oriented from their early experiences. To increase their interest in learning, new and visually appealing teaching materials need to be developed. Two diverse groups of students may be identified based on their math skills. Food science students…

  5. EPR and speciation simulation study of Cu2+ complexes in an amine-based aqueous precursor system used for preparation of superconducting YBCO coatings. (United States)

    Lommens, Petra; Feys, Jonas; Vrielinck, Henk; De Buysser, Klaartje; Herman, Gerrit; Callens, Freddy; Van Driessche, Isabel


    In this work, we investigate the chemistry for an aqueous acetate-triethanolamine-ammonia based YBa(2)Cu(3)O(7-δ) (YBCO) precursor system. These precursor solutions are suited for the chemical solution deposition of superconducting YBCO layers on top of single crystal SrTiO(3) or buffered NiW tapes. The development of this kind of precursor inks often involves trial-and-error experimenting and thus is very time-consuming. To reduce labwork to the minimum, the theoretical prediction of pH stability limits and the complexation behaviour of the different metal ions and complexants in the inks are very important. For this purpose, we simulated, based on literature values, the complexation behaviour of Cu(2+) in the aqueous precursor solutions as a function of pH. To validate the used model, we performed potentiometric pH titrations for solutions with similar composition and checked the correctness of fit between experiment and model. The generated complexometric results are coupled with X-band EPR spectra to further confirm the results. EPR spectra for fully prepared precursor solutions as well as for Cu(2+) reference solutions containing only one type of ligand (acetate, triethanolamine or ammonia) were investigated as a function of pH. We find that, in line with speciation simulation, only acetates are actively complexing the Cu(2+) ions at pH values below 7, while when reaching higher pH levels mainly triethanolamine complexes are formed. Over the entire pH range, no trace of free Cu(2+)or Cu(OH)(2), possibly creating precipitation during gelation and thus complicating further processing, could be found.

  6. Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors

    Directory of Open Access Journals (Sweden)

    Camilo Henrique da Silva Lima


    Full Text Available Molecular dynamics (MD simulations of 12 aqueous systems of the NADH-dependent enoyl-ACP reductase from Mycobacterium tuberculosis (InhA were carried out for up to 20–40 ns using the GROMACS 4.5 package. Simulations of the holoenzyme, holoenzyme-substrate, and 10 holoenzyme-inhibitor complexes were conducted in order to gain more insight about the secondary structure motifs of the InhA substrate-binding pocket. We monitored the lifetime of the main intermolecular interactions: hydrogen bonds and hydrophobic contacts. Our MD simulations demonstrate the importance of evaluating the conformational changes that occur close to the active site of the enzyme-cofactor complex before and after binding of the ligand and the influence of the water molecules. Moreover, the protein-inhibitor total steric (ELJ and electrostatic (EC interaction energies, related to Gly96 and Tyr158, are able to explain 80% of the biological response variance according to the best linear equation, pKi = 7.772 − 0.1885 × Gly96 + 0.0517 × Tyr158 (R2 = 0.80; n = 10, where interactions with Gly96, mainly electrostatic, increase the biological response, while those with Tyr158 decrease. These results will help to understand the structure-activity relationships and to design new and more potent anti-TB drugs.

  7. Mechanism of deactivation of triplet-excited riboflavin by ascorbate, carotenoids, and tocopherols in homogeneous and heterogeneous aqueous food model systems. (United States)

    Cardoso, Daniel R; Olsen, Karsten; Skibsted, Leif H


    Tocopherols (alpha, beta, gamma, and delta) and Trolox were found to deactivate triplet-excited riboflavin in homogeneous aqueous solution (7:3 v/v tert-butanol/water) with second-order reaction rates close to diffusion control [k2 between 4.8 x 10(8) (delta-tocopherol) and 6.2 x 10(8) L mol(-1) s(-1) (Trolox) at 24.0 +/- 0.2 degrees C] as determined by laser flash photolysis transient absorption spectroscopy. In aqueous buffer (pH 6.4) the rate constant for Trolox was 2.6 x 10(9) L mol(-1) s1 and comparable to the rate constant found for ascorbate (2.0 x 10(9) L mol(-1) s(-1)). The deactivation rate constant was found to be inferior in heterogeneous systems as shown for alpha-tocopherol and Trolox in aqueous Tween-20 emulsion (approximately by a factor of 4 compared to 7:3 v/v tert-butanol/water). Neither beta-carotene (7:3 v/v tert-butanol/water and Tween-20 emulsion), lycopene (7:3 v/v tert-butanol/water), nor crocin (aqueous buffer at pH 6.4, 7:3 v/v tert-butanol/water, and Tween-20 emulsion) showed any quenching on the triplet excited state of riboflavin. Therefore, all carotenoids seem to reduce the formation of triplet-excited riboflavin through an inner-filter effect. Activation parameters were based on the temperature dependence of the triplet-excited deactivation between 15 and 35 degrees C, and the isokinetic behavior, which was found to include purine derivatives previously studied, confirms a common deactivation mechanism with a bimolecular diffusion-controlled encounter with electron (or hydrogen atom) transfer as rate-determining step. DeltaH for deactivation by ascorbic acid, Trolox, and homologue tocopherols (ranging from 18 kJ mol(-1) for Trolox in Tween-20 emulsion to 184 kJ mol(-1) for ascorbic acid in aqueous buffer at pH 6.4) showed a linear dependence on DeltaS (ranging from -19 J mol(-1) K(-1) for Trolox in aqueous buffer at pH 6.4 to +550 J mol(-1) K(-1) for ascorbic acid in aqueous buffer pH 6.4). Among photooxidation products from the

  8. Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation (United States)

    Waychunas, G.A.; Fuller, C.C.; Davis, J.A.; Rehr, J.J.


    X-ray absorption near-edge spectroscopy (XANES) analysis of sorption complexes has the advantages of high sensitivity (10- to 20-fold greater than extended X-ray absorption fine structure [EXAFS] analysis) and relative ease and speed of data collection (because of the short k-space range). It is thus a potentially powerful tool for characterization of environmentally significant surface complexes and precipitates at very low surface coverages. However, quantitative analysis has been limited largely to "fingerprint" comparison with model spectra because of the difficulty of obtaining accurate multiple-scattering amplitudes for small clusters with high confidence. In the present work, calculations of the XANES for 50- to 200-atom clusters of structure from Zn model compounds using the full multiple-scattering code Feff 8.0 accurately replicate experimental spectra and display features characteristic of specific first-neighbor anion coordination geometry and second-neighbor cation geometry and number. Analogous calculations of the XANES for small molecular clusters indicative of precipitation and sorption geometries for aqueous Zn on ferrihydrite, and suggested by EXAFS analysis, are in good agreement with observed spectral trends with sample composition, with Zn-oxygen coordination and with changes in second-neighbor cation coordination as a function of sorption coverage. Empirical analysis of experimental XANES features further verifies the validity of the calculations. The findings agree well with a complete EXAFS analysis previously reported for the same sample set, namely, that octahedrally coordinated aqueous Zn2+ species sorb as a tetrahedral complex on ferrihydrite with varying local geometry depending on sorption density. At significantly higher densities but below those at which Zn hydroxide is expected to precipitate, a mainly octahedral coordinated Zn2+ precipitate is observed. An analysis of the multiple scattering paths contributing to the XANES

  9. Acyclic forms of aldohexoses and ketohexoses in aqueous and DMSO solutions: conformational features studied using molecular dynamics simulations. (United States)

    Plazinski, Wojciech; Plazinska, Anita; Drach, Mateusz


    The molecular properties of aldohexoses and ketohexoses are usually studied in the context of their cyclic, furanose or pyranose structures which is due to the abundance of related tautomeric forms in aqueous solution. We studied the conformational features of a complete series of D-aldohexoses (D-allose, D-altrose, D-glucose, D-mannose, D-gulose, d-idose, D-galactose and D-talose) and D-ketohexoses (D-psicose, D-fructose, D-sorbose and D-tagatose) as well as of L-psicose by using microsecond-timescale molecular dynamics in explicit water and DMSO with the use of enhanced sampling methods. In each of the studied cases the preferred conformation corresponded to an extended chain structure; the less populated conformers included the quasi-cyclic structures, close to furanose rings and common for both aldo- and ketohexoses. The orientational preferences of the aldehyde or ketone groups are correlated with the relative populations of anomers characteristic of cyclic aldo- and ketohexoses, respectively, thus indicating that basic features of anomeric equilibria are preserved even if hexose molecules are not in their cyclic forms. No analogous relationship is observed in the case of other structural characteristics, such as the preferences of acyclic molecules to form either the furanose-or pyranose-like structures or maintaining the chair-like geometry of pseudo-pyranose rings.

  10. Fate of selected microorganisms when introduced as cross-contamination inocula into simulated food trash compartment waste (United States)

    Strayer, Richard; Hummerick, Mary; Richards, Jeffrey; Birmele, Michele; Roberts, Michael

    AdHocReviewCycleID-309796538 NewReviewCycle EmailSubjectPlease review this (?today?) AuthorEm Richard F. (KSC)[DYNAMAC CORP] ReviewingToolsShownOnceurn:schemas-microsoft-com:office:smart One goal of Exploration Life Support solid waste processing is to stabilize wastes for storage, mitigate crew risks, and enable resource recovery. Food and crew fecal wastes contain easily biodegraded organic components that support microbial growth. Our objective is to determine a baseline for the fate of selected microbes in wastes prior to processing treatments. Challenge microbes, including human-associated pathogens, were added to unsterilized, simulated food trash solid waste containing a mixed microbial community. The fate of the microbial community and challenge microbes was determined over a 6 week time course of waste storage. Challenge microbes were selected from a list of microorganisms common to residual food or fecal wastes and included: Escherichia coli, Salmonella enterica serovar typhimurium, Staphylococcus aureus, Pseudomonas aeruginosa, Aspergillus niger (a common mold), and Bacillus pumilus SAFR-032, a spore-forming bacterium previously isolated from spacecraft assembly facilities selected for its resistance to heat, uv, and desiccation. The trash model simulant contained 80% food trash (food waste and containers) and 20% hygiene wipes. Cultures of challenge microbes were grown overnight on Nutrient Agar (Difco), harvested, re-suspended in physiological saline, and diluted to achieve the desired optical density for inoculation. The six organisms were pooled and inoculated into the simulated food wastes and packaging before manual mixing. Inoculated simulated waste was stored in custom FlexfoilTM gas sampling bags (SKC, Inc.) which were then connected to a gas analysis system designed to supply fresh air to each bag to maintain O2 above 1%. Bag headspace was monitored for CO2 (PP Systems) and O2 (Maxtec). Total microbes were quantified by microscopic direct

  11. Effect of food simulating liquids on surface hardness of two dental resin composites

    Directory of Open Access Journals (Sweden)

    Ghavam M.


    Full Text Available "nBackground and Aim: Decreasing the hardness of dental restorative composites after curing in oral environment can influence their clinical durability. The aim of this study was to evaluate the effect of food-simulating liquids such as 25%, 50%, 75 % ethanol and 50 % heptane on surface hardness of two composites - (Gradia and P60 after curing and immersing time of 24 hours and 7 days."nMaterials and Methods: 45 specimens of each composite were prepared in a stainless steel mold with 6 mm diameter and 2 mm depth. 5 specimens of each composite were tested for microhardness immediately after curing as the control group. The other specimens of each composite were randomly divided into eight groups. Each specimen was immersed in one of the following solutions 25%, 50%, 75 % ethanol and 50 % heptane for either 24 hours or 7 days. Then the specimens were taken out of the solutions and washed and dried and transferred to the refrigerator until performing the test. In standard conditions, surface microhardness of specimens was evaluated by the microhardness device based on Vickers. The data were analyzed by one way ANOVA 3 way ANOVA and Tukey Post Hoc tests. The level of significance was set at p<0.05."nResults: Surface hardness of P60 composite was higher than that of Gradia. An analysis of variance in gradia and p60 showed significant difference between the control and all the other groups (P<0.05 except the 25% ethanol (P=0.514. After 24 hours all the solutions had significant effect on Gradia (P<0.05 except 50% and 75% ethanol (P=0.793. After 7 days all the solutions had significant effect on Gradia except 50% and 25% ethanol (P=0.385and 50% and 75% ethanol (P=0.150 According to P60 after both 24 hours and 7 days all the solutions had significant effect on the hardness. 50 % heptane increased the hardness (P=0.00. 75% ethanol significantly decreased the hardness (P=0.000 followed by 50% (P=0.001 and 25% ethanol (P=0.007."nConclusion: Based on the

  12. Simulation of the migration of mineral oil from recycled paperboard into dry foods by Tenax®? (United States)

    Zurfluh, Michael; Biedermann, Maurus; Grob, Koni


    Conventional migration testing for long-term storage at ambient temperature with Tenax® was applied to a recycled paperboard as well as to the same paperboard with a polyethylene or polypropylene film in between. Test conditions were from the European Union plastic Regulation 10/2011, that is, 10 days at 60°C, but previous standard conditions of 10 days at 40°C were also applied. The results were compared with the migration into real packs made of the same packaging material containing six test foods and stored over 9 months. For the direct contact, simulation at 60°C overestimated the maximum migration of the saturated hydrocarbons in the real packs by 73%. Simulation reflected hardly any effect by the plastic films and resulted in an overestimation of the maximum migration into the real packs by a factor of 5.1 and 27 for the polyethylene and the polypropylene film, respectively. Analogous simulation was performed with polenta (corn semolina) instead of Tenax®. Three main causes for this deviation were identified: (i) at 60°C, migration reached beyond n-C₃₅, whereas it ends at about n-C₂₄ in reality. (ii) Tenax® is a far stronger adsorbent than foods, resulting in almost complete extraction. (iii) The significant barrier effect of polypropylene films at ambient temperature is lost at increased temperature. The suitability of such simulation for the prediction of long-term migration is questioned.

  13. Validation of CFD simulation for ammonia emissions from an aqueous solution Submitted to Computers and Electronics in Agriculture

    DEFF Research Database (Denmark)

    Rong, Li; Elhadidi, B; Khalifa, H E


    as boundary condition for CFD prediction of ammonia emission. The accuracy of CFD simulation depends on many factors. In this study, the effects of appropriate geometry model, inlet turbulent parameters and three turbulence models (low-Reynolds number k–ε model, renormalization group k–ε model and Shear...

  14. Molecular dynamics simulations of Na+/Cl--dependent neurotransmitter transporters in a membrane-aqueous system

    DEFF Research Database (Denmark)

    Jørgensen, Anne Marie; Tagmose, L.; Jørgensen, A.M.M.


    We have performed molecular dynamics simulations of a homology model of the human serotonin transporter (hSERT) in a membrane environment and in complex with either the natural substrate S-HT or the selective serotonin reuptake inhibitor escitaloprom. We have also included a transporter homologue...

  15. Interactions of aqueous amino acids and proteins with the (110) surface of ZnS in molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Nawrocki, Grzegorz; Cieplak, Marek [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland)


    The growing usage of nanoparticles of zinc sulfide as quantum dots and biosensors calls for a theoretical assessment of interactions of ZnS with biomolecules. We employ the molecular-dynamics-based umbrella sampling method to determine potentials of mean force for 20 single amino acids near the ZnS (110) surface in aqueous solutions. We find that five amino acids do not bind at all and the binding energy of the remaining amino acids does not exceed 4.3 kJ/mol. Such energies are comparable to those found for ZnO (and to hydrogen bonds in proteins) but the nature of the specificity is different. Cysteine can bind with ZnS in a covalent way, e.g., by forming the disulfide bond with S in the solid. If this effect is included within a model incorporating the Morse potential, then the potential well becomes much deeper—the binding energy is close to 98 kJ/mol. We then consider tryptophan cage, a protein of 20 residues, and characterize its events of adsorption to ZnS. We demonstrate the relevance of interactions between the amino acids in the selection of optimal adsorbed conformations and recognize the key role of cysteine in generation of lasting adsorption. We show that ZnS is more hydrophobic than ZnO and that the density profile of water is quite different than that forming near ZnO—it has only a minor articulation into layers. Furthermore, the first layer of water is disordered and mobile.

  16. Numerical simulation of dynamic response of explosive vessel in aqueous medium%水介质爆炸容器动力响应的数值模拟

    Institute of Scientific and Technical Information of China (English)

    钟冬望; 黄小武; 殷秀红; 李琳娜; 司剑峰


    采用有限元软件ANSYS/LS‐DYNA模拟水介质爆炸容器在不同 TNT 当量炸药于容器中心处爆炸时的动态响应,并与实测数据进行比较。结果表明,容器筒体爆心环面处的应变幅值在第一个周期内就达到最大值,并且其值大于筒体上其他点的最大应变;在容器椭圆封头处出现应变增长现象,封头顶端的最大主应变峰值大于筒体爆心环面处的应变峰值,且封头顶端的加速度峰值也明显大于爆心环面处的加速度峰值,仿真计算值与实测值吻合较好。在设计同类水介质爆炸容器时,应重点加强筒体爆心环面处和封头顶端。%When different TNT equivalent explosives blasted in the vessel center ,the dynamic response of explosive vessel in aqueous medium was simulated by finite element software ANSYS/LS‐DYNA . The simulation values were compared with the measured data .The results show that the strain ampli‐tude at cylindrical shell around the explosive center rises to its maximum value during the first cycle , w hich is larger than those at other parts of cylindrical shell ;the strain grow th phenomenon is found at the elliptical cover ;the peak values of the largest principal strain and acceleration at the top of ellipti‐cal cover are larger than those at cylindrical shell around the explosive center ,respectively ,and the simulation values agree well with the measured data .When designing the same explosive vessels used in aqueous medium ,designers should pay more attention to the elliptical cover of the vessel and the center part of cylindrical shell .

  17. 21 CFR 524.1200b - Kanamycin ophthalmic aqueous solution. (United States)


    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Kanamycin ophthalmic aqueous solution. 524.1200b Section 524.1200b Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... § 524.1200b Kanamycin ophthalmic aqueous solution. (a) Specifications. The drug, which is in an...

  18. Molecular dynamics simulations of the free and inhibitor-bound cruzain systems in aqueous solvent: insights on the inhibition mechanism in acidic pH. (United States)

    Hoelz, L V B; Leal, V F; Rodrigues, C R; Pascutti, P G; Albuquerque, M G; Muri, E M F; Dias, L R S


    The major cysteine protease of Trypanosoma cruzi, cruzain (CRZ), has been described as a therapeutic target for Chagas' disease, which affects millions of people worldwide. Thus, a series of CRZ inhibitors has been studied, including a new competitive inhibitor, Nequimed176 (NEQ176). Nevertheless, the structural and dynamic basis for CRZ inhibition remains unclear. Hoping to contribute to this ever-growing understanding of timescale dynamics in the CRZ inhibition mechanism, we have performed the first study using 100 ns of molecular dynamics (MD) simulations of two CRZ systems in an aqueous solvent under pH 5.5: CRZ in the apo form (ligand free) and CRZ complexed to NEQ176. According to the MD simulations, the enzyme adopts an open conformation in the apo form and a closed conformation in the NEQ176-CRZ complex. We also suggest that this closed conformation is related to the hydrogen-bonding interactions between NEQ176 and CRZ, which occurs through key residues, mainly Gly66, Met68, Asn69, and Leu160. In addition, the cross-correlation analysis shows evidence of the correlated motions among Ala110-Asp140, Leu160-Gly189, and Glu190-Gly215 subdomains, as well as, the movements related to Ala1-Thr59 and Asp60-Pro90 regions seem to be crucial for CRZ activity.

  19. Rheological characterization of coloured oil-in-water food emulsions with lutein and phycocyanin added to the oil and aqueous phases


    Sousa, Isabel; Batista, Ana Paula; Raymundo, Anabela; Empis, José


    The use of natural colourings in food products presents nutritional advantages, and certain pigments are associated with functional properties, e.g. antioxidant effects. This can be very advantageous in food products with high fat contents like mayonnaises. The aim of this work was to study the effect of adding natural pigments, lutein and phycocyanin, to the water and oil phases, respectively, of oil-in-water pea protein-stabilized emulsions, beyond the desirable and expected develo...

  20. Evaluating Treatment Efficacy in Commercial Food Facilities: Insights Gained from Small-Scale Simulated Warehouse Experiments (United States)

    Although critical to a successful IPM program, it is challenging to evaluate treatment efficacy in commercial food facilities because of the inability to obtain absolute estimates of insect population levels. These populations are spatially fragmented and occupy cryptic habitats, such as equipment,...

  1. A DANREF certified reference plastic for measurement of overall migration into the food simulant olive oil by single sided testing

    DEFF Research Database (Denmark)

    Lund, K. H.; Lillemark, L.; Petersen, Jens Højslev


    A reference material for the determination of overall migration from a plastic coextrudate into the fatty food simulant olive oil was produced and certified in an interlaboratory study. The analyses were carried out according to the ENV 1186 standard from the European Committee for Standardization...... (CEN) [1, 2, 3] with exposure of the coextrudate to olive oil for 10 days at 40 degrees C. After an initial preliminary interlaboratory study eight laboratories participated in the certification round, and two different methods were used to obtain single sided exposure of the plastic to the oil...

  2. Efficient drug delivery mechanisms of liposomes with tethered biopolymer brushes in aqueous solution using dissipative particle dynamics simulations

    CERN Document Server

    Goicochea, A Gama; Klapp, J; Pastorino, C


    We undertake the investigation of model liposomes covered with polyethylene glycol brushes as a case study for the mechanisms of efficient drug delivery in biologically relevant situations.Extensive non- equilibrium, coarse grained dissipative particle dynamics simulations of polymer brushes of various lengths and shear rates are performed, having in mind polymer brushes covering the surfaces of drug carrying liposomes in the human circulatory system.In particular, we calculate the viscosity and the friction coefficient for polymer brushes as functions of the shear rate and polymerization degree under theta solvent conditions, and find that the liposome brushes experience considerable shear thinning at large shear rates. The viscosity is shown to obey a scaling law at high shear rate irrespective of the brushes degree of polymerization. A new general scaling relation is obtained for the viscosity at high shear rates. These results reproduce very well trends in recent drug delivering experiments.

  3. Film formation from aqueous polyurethane dispersions of reactive hydrophobic and hydrophilic components; spectroscopic studies and Monte Carlo simulations. (United States)

    Otts, Daniel B; Cueva-Parra, Luis A; Pandey, Ras B; Urban, Marek W


    Film formation of waterborne two-component polyurethanes is exceedingly complex due to the heterogeneous nature along with simultaneous progression of several parallel physicochemical processes which include water evaporation, cross-linking reactions, phase separation, and droplet coalescence, to name a few. While internal reflection infrared imaging (IRIRI) spectroscopy clearly facilitates analysis of chemical changes resulting from film formation, the complexity of processes leading to formation of specific surface/interfacial entities is a major experimental challenge. For this reason, we combined a spectrum of surface/interfacial analytical approaches including IRIRI, atomic force microscopy, and attenuated total reflectance Fourier transform infrared spectroscopy with Monte Carlo computer simulations to advance the limited knowledge of how temperature, stoichiometry, concentration levels, and reactivities of individual components affect the development of surface morphologies and compositional gradients across the film thickness. These studies show that in heterogeneous systems having both hydrophobic and hydrophilic components stratification of individual components to the film-air (F-A) interface is ultimately responsible for formation of rough surface topographies. These studies show that simultaneous stratification of hydrophobic components along with water evaporation to the F-A interface results in metastable interfacial layers, leading to surface dewetting. Subsequently, surface roughness is enhanced by higher concentrations of water in the cross-linking film.

  4. Solubilization of menthol by platycodin D in aqueous solution: an integrated study of classical experiments and dissipative particle dynamics simulation. (United States)

    Ding, Haiou; Yin, Qianqian; Wan, Guang; Dai, Xingxing; Shi, Xinyuan; Qiao, Yanjiang


    Menthol (M) and platycodin D (PD) are the main active ingredients in Mentha haplocalyx and Platycodon grandiflorum A. DC., respectively. They are commonly used in combination in traditional Chinese medicine. In this study, laboratory experiments and computer simulations were used to investigate the solubilization of M by PD, which was believed to be one of the main causes of the synergistic effect of M. haplocalyx and P. grandiflorum A. DC. Results showed that both the method by which M was added and the concentration of PD had significant effects on the solubilization efficiency of M, and these influences were closely associated with each other. Temperature, an important environmental condition, was also found to have a significant effect on the solubilization effect of PD. These findings not only clarify the molecular basis of the solubilization effect, including amount solubilized at the macroscale and the structures of the micelles, and the drug loading mechanisms and processing at the mesoscale. This work may provide some guidance for the further development of saponins and fundamental research in the drug delivery system.

  5. Characteristics of hydration water around hen egg lysozyme as the protein model in aqueous solution. FTIR spectroscopy and molecular dynamics simulation. (United States)

    Panuszko, Aneta; Wojciechowski, Marek; Bruździak, Piotr; Rakowska, Paulina W; Stangret, Janusz


    In this paper, the hydration of a model protein--hen egg white lysozyme in aqueous solution has been presented. The leading method used was FTIR spectroscopy with an application of a technique of semi-heavy water (HDO) isotope dilution. Analysis of spectra of HDO isotopically diluted in water solution of lysozyme allowed us to isolate HDO spectra affected by lysozyme, and thus to characterise the energetic state of water molecules and their arrangement around protein molecules. The number of water molecules and the shape of the affected HDO spectrum were obtained using a classical and a chemometric method. This shape showed that the HDO spectrum affected by lysozyme may be presented as a superposition of two spectra corresponding to HDO affected by N-methylacetamide and the carboxylate anion (of the formic acid). Moreover, based on the difference in intermolecular distances distribution of water molecules (obtained from spectral data), we demonstrated that the lysozyme molecule causes a decrease in population of weak hydrogen bonds, and concurrently increases the probability of an occurrence of short hydrogen bonds in water affected by lysozyme. This conclusion was also confirmed by the molecular dynamics (MD) simulation.

  6. Human and simulated intestinal fluids as solvent systems to explore food effects on intestinal solubility and permeability. (United States)

    Stappaerts, Jef; Wuyts, Benjamin; Tack, Jan; Annaert, Pieter; Augustijns, Patrick


    The mixed micelles and vesicles present in the intraluminal environment of the postprandial state exhibit suitable solubilizing capacities for lipophilic drugs. This increase in solubility, however, is accompanied by a decrease in the free fraction caused by micellar entrapment of these lipophilic compounds. In this study, both simulated and aspirated human intestinal fluids of fasted and fed state conditions were used to evaluate the influence of food on the intestinal disposition of a series of structurally related β-blockers, with varying logP values. Using the in situ intestinal perfusion technique with mesenteric blood sampling in rats, it was demonstrated that fed state conditions significantly decreased the absorptive flux of the more lipophilic compounds metoprolol, propranolol and carvedilol, whereas the influence on the flux of the hydrophilic β-blocker atenolol was limited. The solubility of BCS class II compound carvedilol was found to increase significantly in simulated and aspirated media of the fed state. Intestinal perfusions using intestinal media saturated with carvedilol, revealed a higher flux in the fasted state compared to the fed state, despite the higher solubility in the fed state. This study underscores the importance of addressing the complex nature of the behavior of compounds in the intraluminal environment in fasted and fed state conditions. Moreover, our data point out the value of studying the effect of food on both solubility and permeability using biorelevant experimental conditions.

  7. Isolation and Quantification of Polyamide Cyclic Oligomers in Kitchen Utensils and Their Migration into Various Food Simulants. (United States)

    Abe, Yutaka; Mutsuga, Motoh; Ohno, Hiroyuki; Kawamura, Yoko; Akiyama, Hiroshi


    Small amounts of cyclic monomers and oligomers are present in polyamide (PA)-based kitchen utensils. In this study, we isolated eight PA-based cyclic monomers and oligomers from kitchen utensils made from PA6 (a polymer of ε-caprolactam) and PA66 (a polymer of 1,6-diaminohexane and adipic acid). Their structures were identified using high-resolution mass spectrometry and 1H- and 13C-nuclear magnetic resonance spectroscopy, and their residual levels in PA-based kitchen utensils and degree of migration into food simulants were quantified by high-performance liquid chromatography/mass spectrometry using purchased PA6 monomer and isolated PA66 monomers, and isolated PA6 and PA66 oligomers as calibration standards. Their total residual levels among 23 PA-based kitchen utensils made from PA6, PA66, and copolymers of PA6 and PA66 (PA6/66) ranged from 7.8 to 20 mg/g. Using water, 20% ethanol, and olive oil as food simulants, the total migration levels of the PA monomers and oligomers ranged from 0.66 to 100 μg/cm2 under most examined conditions. However, the total migration levels of the PA66 monomer and oligomers from PA66 and PA6/66 kitchen utensils into 20% ethanol at 95°C were very high (1,700 and 2,200 μg/cm2, respectively) due to swelling by high-temperature ethanol.

  8. Electricity Production Through Treatment of Simulated Wastewater of Food Industries Using Dual Chamber Microbial Fuel Cell (MFC with Nafions Membrane

    Directory of Open Access Journals (Sweden)

    N Jaafarzadeh


    Full Text Available Background and Objectives: Microbial fuel cells are the electrochemical exchangers that convert the microbial reduced power, generated via the metabolism of organic substrate, to electrical energy. The aim of this study is to find out the rate of produced electricity and also treatment rate of simulated wastewater of food industries using dual chamber microbial fuel cell (MFC without mediator and catalyst. Materials and Methods: MFC used in this study was consisted of two compartments including anaerobic anode chamber containing simulated food industries wastewater as synthetic substrate and aerobic cathode chamber containing phosphate buffer, respectively. These two chambers were separated by proton exchange membrane made of Nafion. Produced voltage and current intensity were measured using a digital ohm meter and the amount of electricity was calculated by Ohms law. Effluent from the anode compartment was tested for COD, BOD5, NH3, P, TSS, VSS, SO42- and alkalinity in accordance with the Standard Methods. Results: In this study, maximum current intensity and power production at anode surface in the OLR of 0.79 Kg/m3.d were measured as 1.71 mA and 140 mW/m2, respectively. The maximum voltage of 0.422 V was obtained in the OLR of 0.36 Kg/m3.d. The greatest columbic efficiency of the system was 15% in the OLR of 0.18 Kg/m3.d. Maximum removal efficiency of COD, BOD5, NH3, P, TSS, VSS, SO42- and alkalinity, were obtained 78, 72, 66, 7, 56, 49, 26 and 40%, respectively.Conclusion: The findings showed that the MFC can be used as a new technology to produce electricity from renewable organic materials and for the treatment of different municipal and industrial wastewaters such as food industries.

  9. Phenanthrene removal from aqueous solutions using well-characterized, raw, chemically treated, and charred malt spent rootlets, a food industry by-product. (United States)

    Valili, Styliani; Siavalas, George; Karapanagioti, Hrissi K; Manariotis, Ioannis D; Christanis, Kimon


    Malt spent rootlets (MSR) are biomaterials produced in big quantities by beer industry as by-products. A sustainable solution is required for their management. In the present study, MSR are examined as sorbents of a hydrophobic organic compound, phenanthrene, from aqueous solutions. Raw MSR sorb phenanthrene but their sorptive properties are not competitive with the respective properties of commercial sorbents (e.g., activated carbons). Organic petrography is used as a tool to characterize MSR after treatment in order to produce an effective sorbent for phenanthrene. Chemical and thermal (at low temperature under nitrogen atmosphere) treatments of MSR did not result in highly effective sorbents. Based on organic petrography characterization, the pores of the treated materials were filled with humic colloids. When pyrolysis at 800 °C was used to treat MSR, a sorbent with new and empty pores was produced. Phenanthrene sorption capacity was 2 orders of magnitude higher for the pyrolized MSR than for raw MSR.

  10. On the use of differential solubility in aqueous ethanol solutions to narrow the DP range of food-grade starch hydrolysis products. (United States)

    Balto, Amy S; Lapis, Trina J; Silver, Rachel K; Ferreira, Andrew J; Beaudry, Christopher M; Lim, Juyun; Penner, Michael H


    Considerable research is focused on understanding the functionality of starch hydrolysis products (SHP) consisting of glucose, maltose, maltooligosaccharides (MOS), and maltopolysaccharides (MPS). A confounding factor in this research is the high molecular dispersity of commercially available SHP. The study presented herein characterizes a flexible fractionation approach for lowering the dispersity of such products. This was accomplished by fractionating a corn syrup solids (CSS) preparation based on the differential solubility of its component saccharides in aqueous-ethanol solutions. Products obtained from selected fractionations were characterized with respect to degree of polymerization (DP; liquid chromatography), dextrose equivalency (reducing sugar assays), and prevalence of branching (NMR). Glucose and maltose were preferentially removed from CSS using high (⩾90%) ethanol extractants. Preparations with relatively narrow ranges of MOS, lower DP MPS, and higher DP MPS were obtained through repetitive 70%-ethanol extractions. Linear, as opposed to branched, MOS and MPS were preferentially extracted under all conditions tested.

  11. Solute and solvent dynamics in confined equal-sized aqueous environments of charged and neutral reverse micelles: a combined dynamic fluorescence and all-atom molecular dynamics simulation study. (United States)

    Guchhait, Biswajit; Biswas, Ranjit; Ghorai, Pradip K


    Here a combined dynamic fluorescence and all-atom molecular dynamics simulation study of aqueous pool-size dependent solvation energy and rotational relaxations of a neutral dipolar solute, C153, trapped in AOT (charged) and IGPAL (neutral) reverse micelles (RMs) at 298 K, is described. RMs in simulations have been represented by a reduced model where SPC/E water molecules interact with a trapped C153 that possesses realistic charge distributions for both ground and excited states. In large aqueous pools, measured average solvation and rotation rates are smaller for the neutral RMs than those in charged ones. Interestingly, while the measured average solvation and rotation rates increase with pool size for the charged RMs, the average rotation rates for the neutral RMs exhibit a reverse dependence. Simulations have qualitatively reproduced this experimental trend and suggested interfacial location for the solute for all cases. The origin for the subnanosecond Stokes shift dynamics has been investigated and solute-interface interaction contribution quantified. Simulated layer-wise translational and rotational diffusions of water molecules re-examine the validity of the core-shell model and provide a resolution to a debate regarding the origin of the subnanosecond solvation component in dynamic Stokes shift measurements with aqueous RMs but not detected in ultrafast IR measurements.

  12. Aqueous corrosion of borosilicate glasses: experiments, modeling and Monte-Carlo simulations; Alteration par l'eau des verres borosilicates: experiences, modelisation et simulations Monte-Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Ledieu, A


    This work is concerned with the corrosion of borosilicate glasses with variable oxide contents. The originality of this study is the complementary use of experiments and numerical simulations. This study is expected to contribute to a better understanding of the corrosion of nuclear waste confinement glasses. First, the corrosion of glasses containing only silicon, boron and sodium oxides has been studied. The kinetics of leaching show that the rate of leaching and the final degree of corrosion sharply depend on the boron content through a percolation mechanism. For some glass contents and some conditions of leaching, the layer which appears at the glass surface stops the release of soluble species (boron and sodium). This altered layer (also called the gel layer) has been characterized with nuclear magnetic resonance (NMR) and small angle X-ray scattering (SAXS) techniques. Second, additional elements have been included in the glass composition. It appears that calcium, zirconium or aluminum oxides strongly modify the final degree of corrosion so that the percolation properties of the boron sub-network is no more a sufficient explanation to account for the behavior of these glasses. Meanwhile, we have developed a theoretical model, based on the dissolution and the reprecipitation of the silicon. Kinetic Monte Carlo simulations have been used in order to test several concepts such as the boron percolation, the local reactivity of weakly soluble elements and the restructuring of the gel layer. This model has been fully validated by comparison with the results on the three oxide glasses. Then, it has been used as a comprehensive tool to investigate the paradoxical behavior of the aluminum and zirconium glasses: although these elements slow down the corrosion kinetics, they lead to a deeper final degree of corrosion. The main contribution of this work is that the final degree of corrosion of borosilicate glasses results from the competition of two opposite mechanisms

  13. Nitrogen conservation in simulated food waste aerobic composting process with different Mg and P salt mixtures. (United States)

    Li, Yu; Su, Bensheng; Liu, Jianlin; Du, Xianyuan; Huang, Guohe


    To assess the effects of three types of Mg and P salt mixtures (potassium phosphate [K3PO4]/magnesium sulfate [MgSO4], potassium dihydrogen phosphate [K2HPO4]/MgSO4, KH2PO4/MgSO4) on the conservation of N and the biodegradation of organic materials in an aerobic food waste composting process, batch experiments were undertaken in four reactors (each with an effective volume of 30 L). The synthetic food waste was composted of potatoes, rice, carrots, leaves, meat, soybeans, and seed soil, and the ratio of C and N was 17:1. Runs R1-R3 were conducted with the addition of K3PO4/ MgSO4, K2HPO4/MgSO4, and KH2PO4/MgSO4 mixtures, respectively; run R0 was a blank performed without the addition of Mg and P salts. After composting for 25 days, the degrees of degradation of the organic materials in runs R0-R3 were 53.87, 62.58, 59.14, and 49.13%, respectively. X-ray diffraction indicated that struvite crystals were formed in runs R1-R3 but not in run R0; the gaseous ammonia nitrogen (NH3-N) losses in runs R0-R3 were 21.2, 32.8, 12.6, and 3.5% of the initial total N, respectively. Of the tested Mg/P salt mixtures, the K2HPO4/ MgSO4 system provided the best combination of conservation of N and biodegradation of organic materials in this food waste composting process.

  14. Food supply and demand, a simulation model of the functional response of grazing ruminants

    NARCIS (Netherlands)

    Smallegange, I.M.; Brunsting, A.M.H.


    A dynamic model of the functional response is a first prerequisite to be able to bridge the gap between local feeding ecology and grazing rules that pertain to larger scales. A mechanistic model is presented that simulates the functional response, growth and grazing time of ruminants. It is based on

  15. A simulation environment for the design of food supply chain networks: modeling quality controlled logistics

    NARCIS (Netherlands)

    Vorst, van der J.G.A.J.; Tromp, S.; Zee, van der D.J.


    Nowadays, many industries are confronted with intensified global competition as well as advances in information and process technology. They create both the need and opportunity for a coordinated approach of industrial partners to establish effective and efficient supply chains. Simulation tools are

  16. A Monte-Carlo step-by-step simulation code of the non-homogeneous chemistry of the radiolysis of water and aqueous solutions. Part I: theoretical framework and implementation. (United States)

    Plante, Ianik


    The importance of the radiolysis of water in irradiation of biological systems has motivated considerable theoretical and experimental work in the radiation chemistry of water and aqueous solutions. In particular, Monte-Carlo simulations of radiation track structure and non-homogeneous chemistry have greatly contributed to the understanding of experimental results in radiation chemistry of heavy ions. Actually, most simulations of the non-homogeneous chemistry are done using the Independent Reaction Time (IRT) method, a very fast technique. The main limitation of the IRT method is that the positions of the radiolytic species are not calculated as a function of time, which is needed to simulate the irradiation of more complex systems. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. In the present paper, the first of a series of two, the SBS method is reviewed in detail. To these ends, simulation of diffusion of particles and chemical reactions in aqueous solutions is reviewed, and implementation of the program is discussed. Simulation of model systems is then performed to validate the adequacy of stepwise diffusion and reaction schemes. In the second paper, radiochemical yields of simulated radiation tracks calculated by the SBS program in different conditions of LET, pH, and temperature are compared with results from the IRT program and experimental data.

  17. Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations. (United States)

    Ou, Shu-Ching; Cui, Di; Wezowicz, Matthew; Taufer, Michela; Patel, Sandeep


    In this study, we examine the temperature dependence of free energetics of nanotube association using graphical processing unit-enabled all-atom molecular dynamics simulations (FEN ZI) with two (10,10) single-walled carbon nanotubes in 3 m NaI aqueous salt solution. Results suggest that the free energy, enthalpy and entropy changes for the association process are all reduced at the high temperature, in agreement with previous investigations using other hydrophobes. Via the decomposition of free energy into individual components, we found that solvent contribution (including water, anion, and cation contributions) is correlated with the spatial distribution of the corresponding species and is influenced distinctly by the temperature. We studied the spatial distribution and the structure of the solvent in different regions: intertube, intratube and the bulk solvent. By calculating the fluctuation of coarse-grained tube-solvent surfaces, we found that tube-water interfacial fluctuation exhibits the strongest temperature dependence. By taking ions to be a solvent-like medium in the absence of water, tube-anion interfacial fluctuation shows similar but weaker dependence on temperature, while tube-cation interfacial fluctuation shows no dependence in general. These characteristics are discussed via the malleability of their corresponding solvation shells relative to the nanotube surface. Hydrogen bonding profiles and tetrahedrality of water arrangement are also computed to compare the structure of solvent in the solvent bulk and intertube region. The hydrophobic confinement induces a relatively lower concentration environment in the intertube region, therefore causing different intertube solvent structures which depend on the tube separation. This study is relevant in the continuing discourse on hydrophobic interactions (as they impact generally a broad class of phenomena in biology, biochemistry, and materials science and soft condensed matter research), and

  18. Evaluation of Short-Term and Long-Term Migration Testing from Can Coatings into Food Simulants: Epoxy and Acrylic-Phenolic Coatings. (United States)

    Paseiro-Cerrato, Rafael; DeVries, Jonathan; Begley, Timothy H


    Traditionally, migration testing during 10 days at 40 °C has been considered sufficient and appropriate for simulating the potential migration of substances from food-contact materials into foods. However, some packages, such as food cans, may be stored holding food for extended time periods (years). This study attempts to verify whether common testing conditions accurately estimate long-term migration. Two types of can coatings, epoxy and acrylic-phenolic, were subjected to short-term and long-term migration testing (1 day-1.5 years) using food simulants (water, 3% acetic acid, 50% ethanol, and isooctane) at 40 °C. Using HPLC-DAD/CAD, HPLC-MS, UHPLC-HRMS (where HRMS is accurate mass, mass spectrometry), and DART-HRMS, we identified potential migrants before starting the experiment: BPA, BADGE, BADGE derivatives, benzoguanamine, and other relevant marker compounds. During the experiment using a water-based food simulant, migrants remained stable. Most of the cans in contact with 3% acetic acid did not survive the experimental conditions. Tracked migrants were not detected in isooctane. In the presence of 50% ethanol, the traditional migration test during 10 days at 40 °C did not predict migration during long-term storage. These results suggest that migration protocols should be modified to account for long-term storage.

  19. Conformational analysis of the Sda determinant-containing tetrasaccharide and two mimics in aqueous solution by using 1H NMR ROESY spectroscopy in combination with MD simulations

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Jose L. Jimenez; Rooijen, Johannes J.M. van; Erbel, Paul J.A.; Leeflang, Bas R.; Kamerling, Johannis P.; Vliegenthart, Johannes F.G. [Utrecht University, Department of Bio-Organic Chemistry, Bijvoet Center (Netherlands)


    The conformational behaviour of the spacer-linked synthetic Sd{sup a} tetrasaccharide {beta}-d-GalpNAc-(1{sup {yields}}4)-[{alpha}-Neu5Ac-(2{sup {yields}}3)]-{beta}-d-Galp-(1{sup {yields}}4)-{beta}-d-GlcpNAc-(1{sup {yields}}O) (CH{sub 2}){sub 5}NH{sub 2} (1) and the two mimics {beta}-d-Galp-(1{sup {yields}}4)-[{alpha}-Neu5Ac-(2{sup {yields}}3)]-{beta}-d-Galp-(1{sup {yields}}4)-{beta}-d-GlcpNAc-(1{sup {yields}}O)(CH{sub 2}){sub 5}NH{sub 2} (2) and {beta}-d-GlcpNAc-(1{sup {yields}}4)-[{alpha}-Neu5Ac-(2{sup {yields}}3)]-{beta}-d-Galp-(1{sup {yields}}4)-{beta}-d-GlcpNAc-(1{sup {yields}}O) (CH{sub 2}){sub 5}NH{sub 2} (3) were investigated by {sup 1}H NMR spectroscopy in combination with molecular dynamics (MD) simulations in water. Experimental 2D {sup 1}H ROESY cross-peak intensities (ROEs) of the tetrasaccharides were compared with calculated ROEs derived from MD trajectories using the CROSREL program. Analysis of these data indicated that the oligosaccharidic skeletons of the compounds 1-3 are rather rigid, especially the {beta}-d-Hex(NAc)-(1{sup {yields}}4)-[{alpha}-Neu5Ac-(2{sup {yields}}3)]-{beta}-d-Galp fragments. The {alpha}- Neu5-Ac-(2{sup {yields}}3)-{beta}-d-Galp linkage occurred in two different energy minima in the three-dimensional structure of the compounds 1-3 in aqueous solution. Experimental data and dynamics simulations supported the finding that the higher energy rotamer (CHEAT forcefield) was abundant in compounds 1 and 3 due to the existence of a hydrogen bond between the carboxyl group of the sialic acid and the acetamido group of the terminal monosaccharide (GalNAc or GlcNAc) unit. The conformational similarity between 1 and 3 leads to the suggestion that also their activities will be alike.

  20. 食品接触材料中多环芳烃在食品模拟物中的迁移规律研究%Migration rule of polycyclic aromatic hydrocarbons in food contact materials to food simulants

    Institute of Scientific and Technical Information of China (English)

    奚奇辉; 张进; 沈航


    Using gas chromatography/mass spectrometry(GC/MS), we researched for migration rule of polycyclic aromatic hydrocarbons in food contact materials to 4 simulants of water, acetic acid (volume fraction 3%), ethanol (volume fraction 10%) and isooctane. The purpose was to study the relationship ofmigration amount with migraion time, food simulant temperature, food simulant properties. The results showed that the nature of food simulant has prominence influence on migration action, migration quantity increases with temperature rising and time increasing.%采用气相色谱-质谱联用法,对食品接触材料中多环芳烃在水、乙酸(体积分数为3%)、乙醇(体积分数为10%)和异辛烷等4种食品模拟物中的迁移规律进行了研究,研究迁移量与实验的温度、时间和模拟物属性等参数的关系。结果表明:模拟物的属性对迁移行为有显著影响,迁移量随温度的升高和时间的增加而变大。

  1. Analysis and simulation of heat transfer in human tooth during the curing of orthodontic appliance and food ingestion

    Directory of Open Access Journals (Sweden)

    J Velazquez-Lopez


    Full Text Available The aim of this study was to analyze and simulate the heat transfer in the human tooth undergoing fixed orthodontic appliances and food intake. An in vivo representative mathematic model of a layered thermographic profile was developed during the LED curing of Gemini bracket 0.022 in slot (conventional ligating system and Transbond XT adhesive. The characterization of the layered thermic response allowed to identify if during the LED curing process, according to manufacturer's specification (light curing unit, adhesive can induce pulpar necrosis. The profile's thermographic model was the simulation basis of many conditions such as food intake, due to in vivo metrology is affected by the impossibility of a correct apparatus position and the physiologic function of the oral cavity which is exposed to uncontrollable temperature changes. The metrology was carried out with a T-440 thermographic camera during LED curing bracket, using a LED curing light (Elipar S10 placed at 3 ± 1 mm for 5 s at each mesial and distal surface. The thermography outcomes were analyzed in the FLIR Tools Software, Microsoft Excel 2013 and SPSS 22. To adjust the mathematic model error, in vitro studies were performed on third molars for the purpose of realizing extreme exposition temperature condition tests caused by the LED curing unit without jeopardizing the human tooth vitality as would it be on in vivo experimentation. The bracket curing results according to manufacturer's conditions reached 39°C in vivo temperatures and 47°C on in vitro tests, which does not jeopardize human tooth vitality as said by previous researches, although, an LED curing precise protocol established by the manufacturer's LED curing light is sustained.

  2. Effect of immunological castration management strategy on lipid oxidation and sensory characteristics of bacon stored under simulated food service conditions. (United States)

    Herrick, R T; Tavárez, M A; Harsh, B N; Mellencamp, M A; Boler, D D; Dilger, A C


    The objectives of this study were to determine the effect of 1) immunological castration (Improvest, a gonadotropin releasing factor analog-diphtheria toxoid conjugate) management strategy (age at slaughter and time of slaughter after second dose) and 2) sex on lipid oxidation and sensory characteristics of bacon stored under simulated food service conditions. For Objective 1, immunological castration management strategies included 24-wk-old immunologically castrated (IC) barrows 4, 6, 8, or 10 wk after the second Improvest dose (ASD); 26-wk-old IC barrows 6 wk ASD; and 28-wk-old IC barrows 8 wk ASD ( = 63). Objective 2 ( = 97) included IC barrows, physically castrated (PC) barrows, and gilts slaughtered at 24, 26, and 28 wks of age. Bellies from 2 slaughter dates were manufactured into bacon under commercial conditions. Bacon slices were laid out on parchment paper, packaged in oxygen-permeable poly-vinyl-lined boxes, and frozen (-33°C) for 1, 4, 8, or 12 wk to simulate food service conditions. At the end of each storage period, bacon was evaluated for lipid oxidation, moisture and lipid content, and sensory characteristics. Data from both objectives were analyzed using the MIXED procedure in SAS with belly as the experimental unit. For both objectives, as storage time increased, lipid oxidation of bacon increased ( bacon from IC barrows increased as time of slaughter ASD increased ( bacon across management strategies. For the evaluation of sex effects in Objective 2, lipid oxidation was greater ( 0.05). After 12 wk of frozen storage, lipid oxidation values for IC barrows, PC barrows, and gilts were still below 0.5 mg malondialdehyde/kg of meat, the threshold at which trained panelists may deem a food to be rancid. In conclusion, bacon shelf life characteristics were not altered by the immunological castration management strategy and bacon from IC barrows was similar to bacon from gilts. Therefore, bacon from IC barrows would result in shelf life and sensory

  3. Measured and simulated nitrogen fluxes after field application of food-processing and municipal organic wastes. (United States)

    Parnaudeau, V; Génermont, S; Hénault, C; Farrugia, A; Robert, P; Nicolardot, B


    The aims of this study were to (i) assess N fluxes (mineralization, volatilization, denitrification, leaching) caused by spreading various organic wastes from food-processing industries during a field experiment, and (ii) to identify the main factors affecting N transformation processes after field spreading. Experimental treatments including the spreading of six types of waste and a control soil were set up in August 2000 and studied for 22 mo under bare soil conditions. Ammonia and nitrous oxide emissions, and nitrogen mineralization were measured in experimental devices and extrapolated to field conditions or computed in calculation models. The ammonia emissions varied from 80 to 580 g kg(-1) NH4+-N applied, representing 0 to 90 g N kg(-1) total N applied. Under these meteorologically favorable conditions (dry and warm weather), waste pH was the main factor affecting volatilization rates. Cumulated N2O-N fluxes were estimated at 2 to 5 g kg(-1) total N applied, which was quite low due to the low soil water content during the experimental period; water-filled pore space (WFPS) was confirmed as the main factor affecting N2O fluxes. Nitrogen mineralization from wastes represented 126 to 723 g N kg(-1) organic N added from the incorporation date to 14 May 2001 and was not related to the organic C to organic N ratio of wastes. Nitrogen lost by leaching during the equivalent period ranged from 30 to 890 g kg(-1) total N applied. The highest values were obtained for wastes having the highest inorganic N content and mineralization rates.

  4. Determination of paraffins in food simulants and packaging materials by liquid chromatography with evaporative mass detection and identification of paraffin type by liquid chromatography/gas chromatography and fourier transform infrared spectroscopy

    NARCIS (Netherlands)

    Simal-Gándara, J.; Sarria-Vidal, M.; Rijk, M.A.H.


    A liquid chromatographic method with evaporative mass detection (EMD) is described for the determination of paraffins in food contact materials that do not contain polyolefin oligomers, or paraffins migrating from these materials into fatty food simulants or certain simple foods. A normal-phase colu

  5. Mesoscopic Simulations of the Phase Behavior of Aqueous EO 19 PO 29 EO 19 Solutions Confined and Sheared by Hydrophobic and Hydrophilic Surfaces

    KAUST Repository

    Liu, Hongyi


    The MesoDyn method is used to investigate associative structures in aqueous solution of a nonionic triblock copolymer consisting of poly(propylene oxide) capped on both ends with poly(ethylene oxide) chains. The effect of adsorbing (hydrophobic) and nonadsorbing (hydrophilic) solid surfaces in contact with aqueous solutions of the polymer is elucidated. The macromolecules form self-assembled structures in solution. Confinement under shear forces is investigated in terms of interfacial behavior and association. The formation of micelles under confinement between hydrophilic surfaces occurs faster than in bulk aqueous solution while layered structures assemble when the polymers are confined between hydrophobic surfaces. Micelles are deformed under shear rates of 1 μs -1 and eventually break to form persistent, adsorbed layered structures. As a result, surface damage under frictional forces is prevented. Overall, this study indicates that aqueous triblock copolymers of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO) (Pluronics, EO mPO nEO m) act as a boundary lubricant for hydrophobic surfaces but not for hydrophilic ones. © 2011 American Chemical Society.

  6. Migration of bisphenol A (BPA) from epoxy can coatings to jalapeño peppers and an acid food simulant. (United States)

    Munguia-Lopez, Elvia M; Peralta, Elizabeth; Gonzalez-Leon, Alberto; Vargas-Requena, Claudia; Soto-Valdez, Herlinda


    Effects of heat processing, storage time, and temperature on migration of bisphenol A (BPA) from an epoxy type can coating to an acid food simulant and jalapeño peppers were determined. Commercial jalapeño pepper cans (8 oz, dimensions 211 x 300) were stored at 25 degrees C for 40, 70, and 160 days. A solution of 3% acetic acid was canned in 211 x 300 cans from the same batch used for jalapeño peppers. Heat processing was applied to two-thirds of the cans, and the remaining cans were not heat processed. Cans were stored at 25 and 35 degrees C for 0, 40, 70, and 160 days. Results showed that there is a minimal effect of heat treatment. An effect of storage time on migration of BPA during the first 40 days at 25 degrees C was observed. An increase on migration of BPA was observed with storage time at 35 degrees C. The highest level of migration was 15.33 microg/kg of BPA at 160 days at 35 degrees C. A correction factor of approximately 0.4 was calculated for migration under simulating conditions of storage compared to the real ones. The highest level of BPA found in jalapeño peppers cans, surveyed from three supermarkets, was 5.59 +/- 2.43 microg/kg. Migration of BPA, performed according to the European and Mercosur conditions, was 65.45 +/- 5.29 microg/kg. All the migration values found in this study were below those legislation limits (3 mg/kg).

  7. Stability characteristics and structural properties of single- and double-walled boron-nitride nanotubes under physical adsorption of Flavin mononucleotide (FMN) in aqueous environment using molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ansari, R., E-mail:; Ajori, S., E-mail:; Ameri, A.


    Graphical abstract: Structural properties and stability characteristics of single- and double-walled boron-nitride nanotubes functionalized with Flavin mononucleotide (FMN) in aqueous environment are investigated employing molecular dynamics simulations. - Highlights: • Structural and buckling analysis of boron-nitride nanotubes under physical adsorption of Flavin mononucleotide (FMN). • Gyration radius increases linearly as the weight percentage of FMN increases. • Presence of water molecules results in more expansion of FMN around BNNTs. • Critical buckling force of functionalized BNNTs is higher than that of pure BNNTs. • The critical strain of functionalized BNNTs is found to be lower than that of pure ones. - Abstract: The non-cytotoxic properties of Boron-nitride nanotubes (BNNTs) and the ability of stable interaction with biomolecules make them so promising for biological applications. In this research, molecular dynamics (MD) simulations are performed to investigate the structural properties and stability characteristics of single- and double-walled BNNTs under physical adsorption of Flavin mononucleotide (FMN) in vacuum and aqueous environments. According to the simulation results, gyration radius increases by rising the weight percentage of FMN. Also, the results demonstrate that critical buckling force of functionalized BNNTs increases in vacuum. Moreover, it is observed that by increasing the weight percentage of FMN, critical force of functionalized BNNTs rises. By contrast, critical strain reduces by functionalization of BNNTs in vacuum. Considering the aqueous environment, it is observed that gyration radius and critical buckling force of functionalized BNNTs increase more considerably than those of functionalized BNNTs in vacuum, whereas the critical strains approximately remain unchanged.

  8. Abiologic silicon isotope fractionation between aqueous Si and Fe(III)-Si gel in simulated Archean seawater: Implications for Si isotope records in Precambrian sedimentary rocks (United States)

    Zheng, Xin-Yuan; Beard, Brian L.; Reddy, Thiruchelvi R.; Roden, Eric E.; Johnson, Clark M.


    Precambrian Si-rich sedimentary rocks, including cherts and banded iron formations (BIFs), record a >7‰ spread in 30Si/28Si ratios (δ30Si values), yet interpretation of this large variability has been hindered by the paucity of data on Si isotope exchange kinetics and equilibrium fractionation factors in systems that are pertinent to Precambrian marine conditions. Using the three-isotope method and an enriched 29Si tracer, a series of experiments were conducted to constrain Si isotope exchange kinetics and fractionation factors between amorphous Fe(III)-Si gel, a likely precursor to Precambrian jaspers and BIFs, and aqueous Si in artificial Archean seawater under anoxic conditions. Experiments were conducted at room temperature, and in the presence and absence of aqueous Fe(II) (Fe(II)aq). Results of this study demonstrate that Si solubility is significantly lower for Fe-Si gel than that of amorphous Si, indicating that seawater Si concentrations in the Precambrian may have been lower than previous estimates. The experiments reached ˜70-90% Si isotope exchange after a period of 53-126 days, and the highest extents of exchange were obtained where Fe(II)aq was present, suggesting that Fe(II)-Fe(III) electron-transfer and atom-exchange reactions catalyze Si isotope exchange through breakage of Fe-Si bonds. All experiments except one showed little change in the instantaneous solid-aqueous Si isotope fractionation factor with time, allowing extraction of equilibrium Si isotope fractionation factors through extrapolation to 100% isotope exchange. The equilibrium 30Si/28Si fractionation between Fe(III)-Si gel and aqueous Si (Δ30Sigel-aqueous) is -2.30 ± 0.25‰ (2σ) in the absence of Fe(II)aq. In the case where Fe(II)aq was present, which resulted in addition of ˜10% Fe(II) in the final solid, creating a mixed Fe(II)-Fe(III) Si gel, the equilibrium fractionation between Fe(II)-Fe(III)-Si gel and aqueous Si (Δ30Sigel-aqueous) is -3.23 ± 0.37‰ (2σ). Equilibrium

  9. Migration measurement and modelling from poly(ethylene terephthalate) (PET) into soft drinks and fruit juices in comparison with food simulants. (United States)

    Franz, R; Welle, F


    Poly(ethylene terephthalate) (PET) bottles are widely used for beverages. Knowledge about the migration of organic compounds from the PET bottle wall into contact media is of interest especially when post-consumer recyclates are introduced into new PET bottles. Using migration theory, the migration of a compound can be calculated if the concentration in the bottle wall is known. On the other hand, for any given specific migration limit or maximum target concentration for organic chemical compounds in the bottled foodstuffs, the maximum allowable concentrations in the polymer CP,0 can be calculated. Since a food simulant cannot exactly simulate the real migration into the foodstuff or beverages, a worse-case simulation behaviour is the intention. However, if the migration calculation should not be too overestimative, the polymer-specific kinetic parameter for migration modelling, the so-called AP value, should be established appropriately. One objective of the study was the kinetic determination of the specific migration behaviour of low molecular weight compounds such as solvents with relatively high diffusion rates and, therefore, with high migration potential from the PET bottle wall into food simulants in comparison with real beverages. For this purpose, model contaminants were introduced into the bottle wall during pre-form production. The volatile compounds toluene and chlorobenzene were established at concentrations from about 20-30 mg kg(-1) to 300-350 mg kg(-1). Phenyl cyclohexane was present at concentrations of 35, 262 and 782 mg kg(-1), respectively. The low volatile compounds benzophenone and methyl stearate have bottle wall concentrations of about 100 mg kg(-1) in the low spiking level up to about 1000 mg kg(-1) in the highly spiked test bottle. From these experimental data, the polymer specific parameters (AP values) from mathematical migration modelling were derived. The experimental determined diffusing coefficients were determined, calculated and

  10. Simulations

    CERN Document Server

    Ngada, N M


    The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader to gain an insight into simulation in the field of power converters for particle accelerators. Starting with the definition and basic principles of simulation, two simulation types, as well as their leading tools, are presented: analog and numerical simulations. Some practical applications of each simulation type are also considered. The final conclusion then summarizes the main important items to keep in mind before opting for a simulation tool or before performing a simulation.

  11. Competition between functionalization and fragmentation pathways in the OH-initiated oxidation of aqueous tartaric acid droplets: Reaction products and model simulations (United States)

    Cheng, C. T.; Chow, C. Y.; Chan, M. N.; Zuend, A.; Berkemeier, T.; Shiraiwa, M.


    To gain better insights into the competition between functionalization and fragmentation pathways for oxygenated organic compounds, we investigate the OH-radical initiated oxidation of aqueous tartaric acid (C4H6O6) droplets using an aerosol flow tube reactor. The molecular composition of reaction products is characterized by an atmospheric pressure ionization source (Direct Analysis in Real Time, DART) coupled with a high resolution mass spectrometer. The reaction produces four major products: a functionalization product (C4H4O6) and three fragmentation products (C3H4O4, C3H2O4 and C3H2O5), with a predominance of the functionalization product which supports the literature result that only less than 10% of carbon loss was observed for the OH oxidation of tartaric acid. The formation of the functionalization product (2-hydroxy-3-oxosuccinic acid, C4H4O6) can be attributed to that the tertiary alkyl radical, formed after hydrogen abstraction, reacts with an O2 molecule to form a hydroxyperoxyl radical which tends to quickly undergo intramolecular HO2 elimination without fragmentation. The molecular transformation of aqueous tartaric acid droplets is stimulated using the kinetic multi-layer model of gas-particle interactions in aerosols and clouds (KM-GAP) and the Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model in order to take into account the change in particle-phase water and activities of reaction products during the oxidation. Results suggest that aqueous tartaric acid droplets become slightly less hygroscopic after oxidation due to the formation of less polar products. The formation of products with different hygroscopicities and volatilities largely determine the amount of particle-phase water, which in turn governs the size of the aqueous droplets and the concentration of the reactants. Consideration of the variation in water content in response to the chemical evolution in the aerosol is needed to better understand

  12. Buffer capacity of food components influences the acid tolerance response in Salmonella Typhimurium during simulated gastric passage

    DEFF Research Database (Denmark)

    Henriksen, Sidsel; Buschhardt, Tasja; Hansen, Tina Beck;


    Food composition, buffer capacity, and fat and protein content have been shown to effect the gastric acid survival of pathogens (Waterman & Small 1998). In this study, simple food-model substances with different buffer capacities were investigated for their ability to support survival of stationa...

  13. Specific determination of 20 primary aromatic amines in aqueous food simulants by liquid chromatography-electrospray ionization-tandem mass spectrometry

    DEFF Research Database (Denmark)

    Mortensen, Sarah Kelly; Trier, Xenia Thorsager; Foverskov, Annie


    A multi-analyte method without any pre-treatment steps using reversed-phase liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS) was developed and applied for the determination of 20 primary aromatic amines (PAA) associated with polyurethane (PUR) products or azo...

  14. Experimental approaches to test pesticide-treated seed avoidance by birds under a simulated diversification of food sources. (United States)

    Lopez-Antia, Ana; Ortiz-Santaliestra, Manuel E; Mateo, Rafael


    Pesticide coated seeds are known to be potentially toxic for birds, but the risk of poisoning will depend on how likely the individuals are to consume them. To refine the risk assessment of coated seed consumption by birds we studied the consumption and avoidance of seeds treated with imidacloprid, thiram, maneb or rhodamine B under different scenarios of food unpredictability (diversity or changes in food sources). In a first set of experiments, we examined during four days the amount of ingested food by red-legged partridges (Alectoris rufa) when offered untreated seeds, treated seeds or both. In the latter case, we also assessed the effect of a daily interchange in the position of feeders containing treated and untreated food. A second experiment, conducted with imidacloprid only, consisted of offering, during 27 h, fixed overall amounts of treated and untreated food, equally distributed in a different number of feeders per pen (1, 2, 4 or 8 feeders of each type of food) in order to diversify food sources. All the tested pesticide-treated seeds were avoided in two-choice experiments, and imidacloprid and thiram were also avoided in one-choice experiments. We found that imidacloprid treated seeds were avoided, probably as a consequence of a conditioned aversion effect due to the post-ingestion distress. However, under a diversification of two-choice food sources with multiple feeders, imidacloprid-treated seeds were ingested by partridges at increasing amounts that can produce sublethal effects or even death. Thiram treated seeds were also initially avoided in one-choice experiment, but probably mediated by a sensory repellence that progressively decreased with time. Our results reveal that the risk of pesticide exposure in birds may increase by unpredictability of food resources or prolonged availability of coated seeds, so pesticide registration for seed coating should consider worst-case scenarios to avoid negative impacts on farmland birds.

  15. Nanofiltration of L-phenylalanine and L-aspartic acid aqueous solution and its process simulation%苯丙氨酸和天冬氨酸水溶液的纳滤分离及其过程模拟

    Institute of Scientific and Technical Information of China (English)

    王晓琳; 营爱玲


    选择苯丙氨酸和天冬氨酸水溶液进行了纳滤分离过程研究,讨论了不同pH下氨基酸的透过特性,并就该体系的浓缩分离进行了模拟计算.%The permeation experiments of aqueous solution of amino acids (L-phenylalanine and L-Aspartic acid) were carried out with nanofiltration membranes. The rejections of phenylalanine and aspartic acid are about 0 and 90%, respectively. The results show that the amino acids having large differences of isoelectric points (pI) can be separated satisfactorily by adjusting the value of pH. Then the concentration and separation process of phenylalanine and aspartic acid solution was simulated. A batchwise concentration and diafiltration system was designed. The results show that it is feasible to separate phenylalanine and aspartic acid in viewpoint of technology.

  16. Software design for simulation and controlling of food storage quality%食品贮藏过程的模拟与控制软件设计

    Institute of Scientific and Technical Information of China (English)



    通过对食品在贮藏过程中品质特性变化的研究,发具有自学习功能的食品贮藏过程品质变化的数学模型、提供依据参考。建立数学模型数据库,采用VB6.0和SQL设计开模拟与控制软件,为保证食品的品质和安全性等%The data base of mathematic model and quality index of different foods during storage were established according to their quality properties. The software of establish of storage mathematic model, quality simulating and controlling with self-learning function was developed using VB6.0 and SQL, so as to provide data of food quality and safety.

  17. Comparison of three Listeria monocytogenes strains in a guinea-pig model simulating food-borne exposure

    DEFF Research Database (Denmark)

    Roldgaard, Bent; Andersen, Jens Bo; Hansen, Tina Beck;


    Three different Listeria monocytogenes strains, LO28 (a laboratory strain with truncated InlA), 4446 (a clinical isolate) and 7291 (a food isolate), were compared in a guinea-pig model designed to mimic food-borne exposure. The objectives were (1) to verify the applicability of the animal model...... of Listeria strains gave similar results as dosage with a mixture of the three strains; thus, the mixed infection approach was a feasible way to reduce the number of animals needed for determination of listerial virulence....

  18. Production of a fluorescence probe in ion-beam radiolysis of aqueous coumarin-3-carboxylic acid solution-2: Effects of nuclear fragmentation and its simulation with PHITS

    Energy Technology Data Exchange (ETDEWEB)

    Maeyama, Takuya [Department of Nuclear Engineering and Management, School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Yamashita, Shinichi; Taguchi, Mitsumasa [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency, 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Baldacchino, Gerard [CEA Saclay, IRAMIS, UMR 3299 CEA-CNRS SIS2M, Laboratoire de Radiolyse, F-91191 Gif sur Yvette Cedex (France); Sihver, Lembit [Department of Physics, University of Houston, Houston, TX 77204-5005 (United States); Department of Nuclear Engineering, Texas A and M University, TX 77843-3133 (United States); Department of Roanoke College, Salem, VA 24153 (United States); Department of Nuclear Engineering, Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Murakami, Takeshi [Research Center for Charged Particle Therapy, National Institute of Radiological Sciences, 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan); Katsumura, Yosuke, E-mail: [Department of Nuclear Engineering and Management, School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Nuclear Professional School, School of Engineering, University of Tokyo, 2-22 Shirakata-shirane, Tokai-mura, Naka-gun, Ibaraki 319-1188 (Japan)


    The G(OH) values in aqueous coumarin-3-carboxylic-acid (3-CCA) solutions irradiated with {sup 12}C{sup 6+} beams having the energies of 135, 290 and 400 MeV/u were measured by a fluorescent method around the Bragg peak, with 0.6 mm intervals, and quartz cells of 1 cm optical lengths, at the Heavy Ion Medical Accelerator in Chiba, National Institute of Radiological Sciences (NIRS). For each ion, the G(OH) has been calculated as a function of dose average LET and position. The calculated results have been compared to measurements, and the results, reproducibility and reliability of the calculations are discussed in the paper. - Highlights: > Therapeutic ion beam has energy of several hundred MeV/u because it is necessary for a few tens cm range. > With such high energy, nuclear fragmentations of carbon ions occur resulting in production of lighter ions. > In this study, OH yield in water radiolysis near the Bragg peak of therapeutic ion beams was measured. > Measured yields are discussed considering nuclear fragmentation by PHITS code.

  19. Impact of simulated ostracism on overweight and normal-weight youths' motivation to eat and food intake. (United States)

    Salvy, Sarah-Jeanne; Bowker, Julie C; Nitecki, Lauren A; Kluczynski, Melissa A; Germeroth, Lisa J; Roemmich, James N


    There is growing evidence that the experience of being ostracized can impair individuals' abilities to self-regulate, which in turn, leads to negative health behaviors, such as increased unhealthy eating. Research has focused on adults, but deficits in eating regulation in response to ostracism may be particularly detrimental for overweight or obese youth. This study examines the effects of a brief episode of ostracism on the motivation to eat and food intake of overweight and normal-weight young adolescents (M age=13.6 years). A computerized ball-tossing game (Cyberball) was used to induce ostracism or inclusion. Following the inclusion/ostracism manipulation, all participants completed an operant computer task to earn points exchangeable for portions of food or for time socializing with an unfamiliar peer. Participants' responses for food and their subsequent energy intake were recorded. As hypothesized, ostracized overweight participants responded more for food and had a greater energy intake than overweight participants in the inclusion/control condition; whereas this was not the case for normal-weight participants. These results are important as studies indicate that overweight and obese youth may be at risk of social isolation and peer difficulties. Social adversity, if left unchanged, may increase the difficulty of promoting long-term changes in overweight youths' health behaviors.

  20. Towards an integrated food safety surveillance system: a simulation study to explore the potential of combining genomic and epidemiological metadata (United States)

    Crotta, M.; Wall, B.; Good, L.; O'Brien, S. J.; Guitian, J.


    Foodborne infection is a result of exposure to complex, dynamic food systems. The efficiency of foodborne infection is driven by ongoing shifts in genetic machinery. Next-generation sequencing technologies can provide high-fidelity data about the genetics of a pathogen. However, food safety surveillance systems do not currently provide similar high-fidelity epidemiological metadata to associate with genetic data. As a consequence, it is rarely possible to transform genetic data into actionable knowledge that can be used to genuinely inform risk assessment or prevent outbreaks. Big data approaches are touted as a revolution in decision support, and pose a potentially attractive method for closing the gap between the fidelity of genetic and epidemiological metadata for food safety surveillance. We therefore developed a simple food chain model to investigate the potential benefits of combining ‘big’ data sources, including both genetic and high-fidelity epidemiological metadata. Our results suggest that, as for any surveillance system, the collected data must be relevant and characterize the important dynamics of a system if we are to properly understand risk: this suggests the need to carefully consider data curation, rather than the more ambitious claims of big data proponents that unstructured and unrelated data sources can be combined to generate consistent insight. Of interest is that the biggest influencers of foodborne infection risk were contamination load and processing temperature, not genotype. This suggests that understanding food chain dynamics would probably more effectively generate insight into foodborne risk than prescribing the hazard in ever more detail in terms of genotype.

  1. New device to simulate swallowing and in vivo aroma release in the throat from liquid and semiliquid food systems.

    NARCIS (Netherlands)

    Weel, K.G.C.; Boelrijk, A.E.M.; Burger, J.J.; Verschueren, M.; Gruppen, H.; Voragen, A.G.J.; Smit, G.


    This paper describes a novel device to simulate in vivo aroma release from liquids. This artificial throat simulates the act of swallowing followed by exhalation and shows aroma release curves that are similar in shape to in vivo release profiles. Liquids are poured down a tube, and a thin liquid fi

  2. Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function GN(r

    NARCIS (Netherlands)

    Boek, E.S.; Briels, W.J.


    Molecular dynamics simulations have been performed in order to study the structure of two molal urea solutions in D2O. Several initial dimer configurations were considered for an adequate sampling of phase space. Eventually all of them appeared to be unstable, when system size and periodic boundary

  3. Simulation of 3D mesoscale structure formation in concentrated aqueous solution of the triblock polymer surfactants (ethylene oxide)(13)(propylene oxide)(30)(ethylene oxide)(13) and (propylene oxide)(19)(ethylene oxide)(33)(propylene oxide)(19). Application of dynamic mean-field density functional theory

    NARCIS (Netherlands)

    van Vlimmeren, BAC; Maurits, NM; Zvelindovsky, AV; Sevink, GJA; Fraaije, JGEM


    We simulate the microphase separation dynamics of aqueous solutions of the triblock polymer surfactants (ethylene oxide)(13)(propylene oxide)(30)(ethylene oxide)(13) and (propylene oxide)(19)(ethylene oxide)(33)(propylene oxide)(19) by a dynamic variant of mean-field density functional theory for Ga

  4. Síndrome de Frey simulando eritema malar por alergia alimentar Frey's syndrome simulating malar flushing by food allergy

    Directory of Open Access Journals (Sweden)

    Fabiana Mozes


    Full Text Available OBJETIVO: Relatar um caso de síndrome de Frey em lactente, cujo eritema malar foi inicialmente associado à alergia alimentar. DESCRIÇÃO DO CASO: Lactente de um ano de idade, encaminhado ao ambulatório de alergia alimentar com eritema malar unilateral, localizado na área de distribuição do nervo auriculotemporal, após a ingestão de frutas e legumes. Nesta época, o paciente encontrava-se em dieta de restrição destes alimentos devido ao diagnóstico clínico de alergia alimentar. O paciente apresentava história de parto vaginal e tocotraumatismo. COMENTÁRIOS: O diagnóstico da síndrome de Frey (síndrome auriculotemporal ou de sudorese gustativa foi estabelecido com base nas características clínicas do eritema malar desencadeado após a ingestão de alimentos e exclusão do diagnóstico de alergia alimentar. Nestes pacientes, o dano ao nervo auriculotemporal decorre, em geral, de tocotraumatismo, com regeneração alterada das fibras nervosas, resultando no eritema malar com a estimulação gustativa. Este caso ressalta a necessidade do diagnóstico correto da alergia alimentar, de tal modo que não sejam impostas dietas restritivas desnecessárias ao paciente. Em pacientes com eritema malar na trajetória do nervo auriculotemporal após ingestão de alimentos, a possibilidade da síndrome de Frey deve ser considerada.OBJECTIVE: To report a case of Frey syndrome in a child, whose malar flushing has been initially associated with food allergy. CASE DESCRIPTION: One year-old child referred to the food allergy out-patient clinic. The patient has been presenting unilateral facial flushing localized in the auriculotemporal nerve pathway after the ingestion of fruits and vegetables. At this time, these foods were excluded from patient's diet due to the clinical diagnosis of food allergy. The child was born by vaginal delivery and had obstetrical trauma. COMMENTS: The diagnosis of Frey syndrome (auriculotemporal syndrome or gustatory

  5. Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function GN(r) (United States)

    Boek, E. S.; Briels, W. J.


    Molecular dynamics simulations have been performed in order to study the structure of two molal urea solutions in D2O. Several initial dimer configurations were considered for an adequate sampling of phase space. Eventually all of them appeared to be unstable, when system size and periodic boundary conditions are chosen properly, even after a very careful equilibration. The total nitrogen scattering function GN(r), calculated from these simulations, is in good agreement with neutron scattering experiments when both intra- and intermolecular correlations are considered and the experimental truncation ripples are introduced by a Fourier transform of GN(r) back and forth. The simple pair potential model that we used gives results in good agreement with experiments and with a much more involved potential model, recently described in the literature [J. Chem. Phys. 95, 8419 (1991)].

  6. Ab Initio MD Simulations of the Brønsted Acidity of Glutathione in Aqueous Solutions: Predicting pKa Shifts of the Cysteine Residue. (United States)

    Tummanapelli, Anil Kumar; Vasudevan, Sukumaran


    The tripeptide glutathione (GSH) is one of the most abundant peptides and the major repository for nonprotein sulfur in both animal and plant cells. It plays a critical role in intracellular oxidative stress management by the reversible formation of glutathione disulfide with the thiol-disulfide pair acting as a redox buffer. The state of charge of the ionizable groups of GSH can influence the redox couple, and hence the pKa value of the cysteine residue of GSH is critical to its functioning. Here we report ab initio Car-Parrinello molecular dynamics simulations of glutathione solvated by 200 water molecules, all of which are considered in the simulation. We show that the free-energy landscape for the protonation-deprotonation reaction of the cysteine residue of GSH computed using metadynamics sampling provides accurate estimates of the pKa and correctly predicts the shift in the dissociation constant values as compared with the isolated cysteine amino acid.

  7. Simulation and Optimization of Artificial Neural Network Modeling for Prediction of Sorption Efficiency of Nanocellulose Fibers for Removal of Cd (II Ions from Aqueous System

    Directory of Open Access Journals (Sweden)

    Abhishek KARDAM


    Full Text Available Simulation and optimization of an Artificial Neural Network (ANN for modeling biosorption studies of cadmium removal using nanocellulose fibers (NCFs was carried out. Experimental studies led to the standardization of the optimum conditions for the removal of cadmium ions i.e. biomass dosage (0.5 g, test volume (200 ml, metal concentration (25 mg/l, pH (6.5 and contact time (40 min. A Single layer ANN model was developed to simulate the process and to predict the sorption efficiency of Cd (II ions using NCFs. Different NN architectures were tested by varying network topology, resulting in excellent agreement between experiment outputs and ANN outputs. The findings indicated that ANN provided reasonable predictive performance for training, cross validation and testing data sets (R2 = 0.998, 0.995, 0.992. A sensitivity analysis was carried out to assess the influence of different independent parameters on the biosorption efficiency, and pH > biomass dosage > metal concentration > contact time > test volume were found to be the most significant factors. Simulations based on the developed ANN model can estimate the behavior of the biosorption phenomenon process under different experimental conditions.

  8. Remediation of 17-α-ethinylestradiol aqueous solution by photocatalysis and electrochemically-assisted photocatalysis using TiO2 and TiO2/WO3 electrodes irradiated by a solar simulator. (United States)

    Oliveira, Haroldo G; Ferreira, Leticia H; Bertazzoli, Rodnei; Longo, Claudia


    TiO2 and TiO2/WO3 electrodes, irradiated by a solar simulator in configurations for heterogeneous photocatalysis (HP) and electrochemically-assisted HP (EHP), were used to remediate aqueous solutions containing 10 mg L(-1) (34 μmol L(-1)) of 17-α-ethinylestradiol (EE2), active component of most oral contraceptives. The photocatalysts consisted of 4.5 μm thick porous films of TiO2 and TiO2/WO3 (molar ratio W/Ti of 12%) deposited on transparent electrodes from aqueous suspensions of TiO2 particles and WO3 precursors, followed by thermal treatment at 450 (°)C. First, an energy diagram was organized with photoelectrochemical and UV-Vis absorption spectroscopy data and revealed that EE2 could be directly oxidized by the photogenerated holes at the semiconductor surfaces, considering the relative HOMO level for EE2 and the semiconductor valence band edges. Also, for the irradiated hybrid photocatalyst, electrons in TiO2 should be transferred to WO3 conduction band, while holes move toward TiO2 valence band, improving charge separation. The remediated EE2 solutions were analyzed by fluorescence, HPLC and total organic carbon measurements. As expected from the energy diagram, both photocatalysts promoted the EE2 oxidation in HP configuration; after 4 h, the EE2 concentration decayed to 6.2 mg L(-1) (35% of EE2 removal) with irradiated TiO2 while TiO2/WO3 electrode resulted in 45% EE2 removal. A higher performance was achieved in EHP systems, when a Pt wire was introduced as a counter-electrode and the photoelectrodes were biased at +0.7 V; then, the EE2 removal corresponded to 48 and 54% for the TiO2 and TiO2/WO3, respectively. The hybrid TiO2/WO3, when compared to TiO2 electrode, exhibited enhanced sunlight harvesting and improved separation of photogenerated charge carriers, resulting in higher performance for removing this contaminant of emerging concern from aqueous solution.

  9. Analytical tools for identification of non-intentionally added substances (NIAS) coming from polyurethane adhesives in multilayer packaging materials and their migration into food simulants. (United States)

    Félix, Juliana S; Isella, Francesca; Bosetti, Osvaldo; Nerín, Cristina


    Adhesives used in food packaging to glue different materials can provide several substances as potential migrants, and the identification of potential migrants and migration tests are required to assess safety in the use of adhesives. Solid-phase microextraction in headspace mode and gas chromatography coupled to mass spectrometry (HS-SPME-GC-MS) and ChemSpider and SciFinder databases were used as powerful tools to identify the potential migrants in the polyurethane (PU) adhesives and also in the individual plastic films (polyethylene terephthalate, polyamide, polypropylene, polyethylene, and polyethylene/ethyl vinyl alcohol). Migration tests were carried out by using Tenax(®) and isooctane as food simulants, and the migrants were analyzed by gas chromatography coupled to mass spectrometry. More than 63 volatile and semivolatile compounds considered as potential migrants were detected either in the adhesives or in the films. Migration tests showed two non-intentionally added substances (NIAS) coming from PU adhesives that migrated through the laminates into Tenax(®) and into isooctane. Identification of these NIAS was achieved through their mass spectra, and 1,6-dioxacyclododecane-7,12-dione and 1,4,7-trioxacyclotridecane-8,13-dione were confirmed. Caprolactam migrated into isooctane, and its origin was the external plastic film in the multilayer, demonstrating real diffusion through the multilayer structure. Comparison of the migration values between the simulants and conditions will be shown and discussed.

  10. 大气压冷等离子体与水溶液作用过程的数值模拟研究进展%Research progress on numerical simulation of cold atmospheric plasmas on aqueous solutions

    Institute of Scientific and Technical Information of China (English)

    常海波; 张雪; 张晓菲; 张翀; 李和平; 邢新会


    As an effective and complex chemical reaction field,cold atmospheric plasma (CAP) has been extensively studied and applied in biotechnology,medical science,environmental protection, materials science,and so on. Since aqueous solution is usually used as the reaction media among numerous applications of the CAPs,the understandings of the interaction mechanism between the CAP and aqueous solution is of great importance. However,due to the big complexity of CAP-solution interaction processes,the present experimental methods are still quite difficult to comprehensively reveal the action mechanisms. Numerical simulation has thus been employed widely in the CAP field and become one of important methods to investigate the interaction mechanisms of CAP with solution. In this review,we focus on the simulation methods used for exploring the interaction mechanisms between the CAP and aqueous solution,including fluid dynamics modelling and molecular dynamics simulation. For the fluid dynamics modelling,this review gives a detailed description of the features of the global,one- and two-dimensional models and their applications in analysis of the interactions of the dielectric barrier discharge (DBD) and plasmas jets with aqueous solution. On the other hand,the interaction process between reactive oxygen species (ROS) and biomolecules in aqueous solution by employing the molecular dynamics simulation method based on reactive force field is also reviewed. The advantages and disadvantages of fluid dynamics modelling and molecular dynamics simulation are then compared,and a brief discussion on the urgent problems as well as the perspectives of the future development in this field has been also described.%作为一种新型高效多样的化学反应场,近年来大气压冷等离子体(cold atmospheric plasma,CAP)在生物、医学、环保、材料等领域的研究和应用日益广泛。由于这些领域的应用大多涉及以水溶液为介质的反应体系,因此

  11. Fate of thiabendazole through the treatment of a simulated agro-food industrial effluent by combined MBR/Fenton processes at μg/L scale. (United States)

    Sánchez Peréz, J A; Carra, I; Sirtori, C; Agüera, A; Esteban, B


    This study has been carried out to assess the performance of a combined system consisting of a membrane bioreactor (MBR) followed by an advanced oxidation process (Fenton/Photo-Fenton) for removing the fungicide thiabendazole (TBZ) in a simulated agro-food industrial wastewater. Previous studies have shown the presence of TBZ in the effluent of an agro-food industry treated by activated sludge in a sequencing batch reactor (SBR), thus reinforcing the need for alternative treatments for removal. In this study, a simulated agro-food industry effluent was enriched with 100 μg L(-1) TBZ and treated by combined MBR/Fenton and MBR/solar photo-Fenton systems. Samples were directly injected into a highly sensitive liquid chromatography-triple quadrupole-linear ion trap-mass spectrometer (LC-QqLiT-MS/MS) analytical system to monitor the degradation of TBZ even at low concentration levels (ng L(-1)). Results showed that the biological treatment applied was not effective in TBZ degradation, which remained almost unaltered; although most dissolved organic matter was biodegraded effectively. Fenton and solar photo-Fenton, were assayed as tertiary treatments. The experiments were run without any pH adjustment by using an iron dosage strategy in the presence of excess hydrogen peroxide. Both treatments resulted in a total degradation of TBZ, obtaining more than 99% removal in both cases. To assure the total elimination of contaminants in the treated waters, transformation products (TPs) of TBZ generated during Fenton degradation experiments were identified and monitored by liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOF-MS/MS). Up to four TPs could be identified. Two of them corresponded to mono-hydroxylated derivatives, typically generated under hydroxyl radicals driven processes. The other two corresponded with the hydrolysis of the TBZ molecule to yield benzoimidazole and thiazole-4-carboxamidine. All of them were also degraded during the

  12. Simulation

    DEFF Research Database (Denmark)

    Gould, Derek A; Chalmers, Nicholas; Johnson, Sheena J;


    Recognition of the many limitations of traditional apprenticeship training is driving new approaches to learning medical procedural skills. Among simulation technologies and methods available today, computer-based systems are topical and bring the benefits of automated, repeatable, and reliable...... performance assessments. Human factors research is central to simulator model development that is relevant to real-world imaging-guided interventional tasks and to the credentialing programs in which it would be used....

  13. Food Poisoning (United States)

    ... de los dientes Video: Getting an X-ray Food Poisoning KidsHealth > For Kids > Food Poisoning Print A ... find out how to avoid it. What Is Food Poisoning? Food poisoning comes from eating foods that ...

  14. Simulation

    CERN Document Server

    Ross, Sheldon


    Ross's Simulation, Fourth Edition introduces aspiring and practicing actuaries, engineers, computer scientists and others to the practical aspects of constructing computerized simulation studies to analyze and interpret real phenomena. Readers learn to apply results of these analyses to problems in a wide variety of fields to obtain effective, accurate solutions and make predictions about future outcomes. This text explains how a computer can be used to generate random numbers, and how to use these random numbers to generate the behavior of a stochastic model over time. It presents the statist

  15. Aqueous-Phase Synthesis of Silver Nanodiscs and Nanorods in Methyl Cellulose Matrix: Photophysical Study and Simulation of UV-Vis Extinction Spectra Using DDA Method. (United States)

    Sarkar, Priyanka; Bhui, Dipak Kumar; Bar, Harekrishna; Sahoo, Gobinda Prasad; Samanta, Sadhan; Pyne, Santanu; Misra, Ajay


    We present a very simple and effective way for the synthesis of tunable coloured silver sols having different morphologies. The procedure is based on the seed-mediated growth approach where methyl cellulose (MC) has been used as soft-template in the growth solution. Nanostructures of varying morphologies as well as colour of the silver sols are controlled by altering the concentration of citrate in the growth solution. Similar to the polymers in the solution, citrate ions also dynamically adsorbed on the growing silver nanoparticles and promote one (1-D) and two-dimensional (2-D) growth of nanoparticles. Silver nanostructures are characterized using UV-vis and HR-TEM spectroscopic study. Simulation of the UV-vis extinction spectra of our synthesized silver nanostructures has been carried out using discrete dipole approximation (DDA) method.

  16. Aqueous-Phase Synthesis of Silver Nanodiscs and Nanorods in Methyl Cellulose Matrix: Photophysical Study and Simulation of UV–Vis Extinction Spectra Using DDA Method

    Directory of Open Access Journals (Sweden)

    Sarkar Priyanka


    Full Text Available Abstract We present a very simple and effective way for the synthesis of tunable coloured silver sols having different morphologies. The procedure is based on the seed-mediated growth approach where methyl cellulose (MC has been used as soft-template in the growth solution. Nanostructures of varying morphologies as well as colour of the silver sols are controlled by altering the concentration of citrate in the growth solution. Similar to the polymers in the solution, citrate ions also dynamically adsorbed on the growing silver nanoparticles and promote one (1-D and two-dimensional (2-D growth of nanoparticles. Silver nanostructures are characterized using UV–vis and HR-TEM spectroscopic study. Simulation of the UV–vis extinction spectra of our synthesized silver nanostructures has been carried out using discrete dipole approximation (DDA method.

  17. A model for the shuttle motions of puerarin and daidzin inside the cavity of β-cyclodextrin in aqueous acetic acid: insights from molecular dynamics simulations. (United States)

    Zhang, Haiyang; Feng, Wei; Li, Cong; Lv, Yongqin; Tan, Tianwei


    Acetic acid acts as one component of the mobile phase to influence separation of puerarin from daidzin when using β-cyclodextrin-substituted media. In this work considering an explicit acetic acid solution, host-guest complexes of β-cyclodextrin (β-CD) with puerarin and daidzin were investigated by molecular dynamics simulations. Computational results indicate different shuttle motions of puerarin and daidzin inside the cavity of β-CD. A model detailing the shuttle motion was constructed, and the relationships between shuttle depth and guest rotation angles, hydrogen bonds, and host-guest interaction energies were analyzed. The results can be used to explain the chromatographic retention mechanisms of puerarin and daidzin with β-CD, and to explore the complexity of host-guest interactions involving β-CD.

  18. MIPs in Aqueous Environments. (United States)

    Wan, Ying-chun; Ma, Hui-ting; Lu, Bin


    When organic solvent-compatible molecularly imprinted polymers (MIPs) are used in aqueous environment, how to reduce nonspecific binding is a major challenge. By modifying the binding solvents and introducing appropriate washing and elution steps, even relatively hydrophobic MIPs can gain optimal rebinding selectivity in aqueous conditions. Furthermore, water-compatible MIPs that can be used to treat aqueous samples directly have been prepared. The use of hydrophilic co-monomers, the controlled surface modification through controlled radical polymerization, and the new interfacial molecular imprinting methods are different strategies to prepare water-compatible MIPs. By combining MIPs with other techniques, both organic solvent-compatible and water-compatible MIPs can display better functional performances in aqueous conditions. Intensive studies on MIPs in aqueous conditions can provide new MIPs with much-improved compatibilities that will lead to more interesting applications in biomedicine and biotechnology.

  19. Research progress of lipase-catalyzed synthesis of carbohydrate esters as food additives in non-aqueous phase%非水相中脂肪酶催化合成糖酯类食品添加剂的研究进展

    Institute of Scientific and Technical Information of China (English)

    戴清源; 朱秀灵


    糖酯类食品添加剂是同时含有亲水和疏水基团、HLB值为1~16的一种非离子型表面活性剂,具有无臭、无味、无毒及优良的表面性能等特点,在食品工业中具有诱人的应用前景。脂肪酶非水相催化合成糖酯有着化学合成法无可比拟的优点,已引起众多研究者的广泛关注。本文就非水相中催化合成糖酯所用脂肪酶的来源、非水相体系、酶的催化活性、糖酯类食品添加剂的检测方法及其在食品工业中的应用进行了综述,并展望其发展前景。%Carbohydrate fatty acid esters are non-ionic surfactants containing both hydrophilic and hydrophobic groups and having a wide range of hydrophilic-lipophilic balance(HLB)value from 1 to 16.These esters,which have several characteristics,such as odorless,tasteless,non-toxic and surface-active,have been applied to food industry with attractive prospects.Compared with chemical synthesis,lipase-catalyzed synthesis of carbohydrate fatty acid esters in non-aqueous has a lot of unexampled advantages,as a result,it has attracted many researchers' attention.In this paper,the source of lipase,non-aqueous system,catalytic activity of lipase in non-aqueous system,detection and application of carbohydrate fatty acid esters as food additive in food industry were summarized briefly.The prospects for future development of carbohydrate fatty acid esters were also introduced.

  20. Genes involved in Listeria monocytogenes biofilm formation at a simulated food processing plant temperature of 15 °C. (United States)

    Piercey, Marta J; Hingston, Patricia A; Truelstrup Hansen, Lisbeth


    Listeria monocytogenes is a pathogenic foodborne bacterium whose persistence in food processing environments is in part attributed to its biofilm formation. Most biofilm studies have been carried out at 30-37 °C rather than at temperatures found in the food processing plants (i.e., 10-20 °C). The objective of the present study was to mine for novel genes that contribute to L. monocytogenes biofilm formation at 15 °C using the random insertional mutagenesis approach. A library of 11,024 L. monocytogenes 568 (serotype 1/2a) Himar1 insertional mutants was created. Mutants with reduced or enhanced biofilm formation at 15 °C were detected in microtiter plate assays with crystal violet and safranin staining. Fourteen mutants expressed enhanced biofilm phenotypes, and harbored transposon insertions in genes encoding cell wall biosynthesis, motility, metabolism, stress response, and cell surface associated proteins. Deficient mutants (n=5) contained interruptions in genes related to peptidoglycan, teichoic acid, or lipoproteins. Enhanced mutants produced significantly (pbiofilm formed on stainless steel (SS) coupons at 15 °C (48 h) than deficient mutants, which were also more sensitive to benzalkonium chloride. All biofilm deficient mutants and four enhanced mutants in the microtiter plate assay (flaA, cheR, lmo2563 and lmo2488) formed no biofilm in a peg lid assay (Calgary biofilm device) while insertions in lmo1224 and lmo0543 led to excess biofilm in all assays. Two enhanced biofilm formers were more resistant to enzymatic removal with DNase, proteinase K or pectinase than the parent strain. Scanning electron microscopy of individual biofilms made by five mutants and the parent on SS surfaces showed formation of heterogeneous biofilm with dense zones by immotile mutants, while deficient mutants exhibited sparse growth. In conclusion, interruptions of 9 genes not previously linked to biofilm formation in L. monocytogenes (lmo2572, lmo2488 (uvrA), lmo1224, lmo0434

  1. Soft matter at aqueous interfaces

    CERN Document Server

    Liu, Yi


    This book covers the science of interfaces between an aqueous phase and a solid, another liquid or a gaseous phase, starting from the basic physical chemistry all the way to state-of-the-art research developments. Both experimental and theoretical methods are treated thanks to the contributions of a distinguished list of authors who are all active researchers in their respective fields. The properties of these interfaces are crucial for a wide variety of processes, products and biological systems and functions, such as the formulation of personal care and food products, paints and coatings, microfluidic and lab-on-a-chip applications, cell membranes, and lung surfactants. Accordingly, research and expertise on the subject are spread over a broad range of academic disciplines and industrial laboratories. This book brings together knowledge from these different places with the aim of fostering education, collaborations and research progress.

  2. Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface. (United States)

    Bauer, Brad A; Warren, G Lee; Patel, Sandeep


    anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.

  3. Detection of pathogens in simulated food poisoning samples%模拟食物中毒样品中致病菌的检测

    Institute of Scientific and Technical Information of China (English)



    [Objective]To understand the ability of pathogenic bacteria detection in the laboratory of Danyang Center for Disease Control and Prevention (CDC) , and constantly improve the ability of pathogens detection. [Methods]The laboratory comparison test was performed between 5 CDC of Yang Tong Xu Zhen Tai City. The simulated food poisoning samples were detected for pathogenic bacteria. [Results] Two kinds of pathogenic bacteria (Yersinia enterocolitica and Proteus ) were detected in simulated samples. [Conclusion]The laboratory has the ability of pathogens detection.%目的 为了解丹阳市疾病预防控制中心实验室检测致病菌的能力,不断提高检测致病菌的能力.方法 参加了扬通徐镇泰五市疾病预防控制机构实验室间比对试验,对发放的模拟食物中毒样品进行了致病菌检测.结果 在模拟样品中检出2种致病菌:小肠结肠炎耶尔森菌和变形杆菌.结论 该实验室具备检测致病菌的能力.

  4. Dissolution of Lipid-Based Matrices in Simulated Gastrointestinal Solutions to Evaluate Their Potential for the Encapsulation of Bioactive Ingredients for Foods. (United States)

    Raymond, Yves; Champagne, Claude P


    The goal of the study was to compare the dissolution of chocolate to other lipid-based matrices suitable for the microencapsulation of bioactive ingredients in simulated gastrointestinal solutions. Particles having approximately 750 μm or 2.5 mm were prepared from the following lipid-based matrices: cocoa butter, fractionated palm kernel oil (FPKO), chocolate, beeswax, carnauba wax, and paraffin. They were added to solutions designed to simulate gastric secretions (GS) or duodenum secretions (DS) at 37°C. Paraffin, carnauba wax, and bees wax did not dissolve in either the GS or DS media. Cocoa butter, FPKO, and chocolate dissolved in the DS medium. Cocoa butter, and to a lesser extent chocolate, also dissolved in the GS medium. With chocolate, dissolution was twice as fast as that with small particles (750 μm) as compared to the larger (2.5 mm) ones. With 750 μm particle sizes, 90% dissolution of chocolate beads was attained after only 60 minutes in the DS medium, while it took 120 minutes for 70% of FPKO beads to dissolve in the same conditions. The data are discussed from the perspective of controlled release in the gastrointestinal tract of encapsulated ingredients (minerals, oils, probiotic bacteria, enzymes, vitamins, and peptides) used in the development of functional foods.

  5. Dissolution of Lipid-Based Matrices in Simulated Gastrointestinal Solutions to Evaluate Their Potential for the Encapsulation of Bioactive Ingredients for Foods

    Directory of Open Access Journals (Sweden)

    Yves Raymond


    Full Text Available The goal of the study was to compare the dissolution of chocolate to other lipid-based matrices suitable for the microencapsulation of bioactive ingredients in simulated gastrointestinal solutions. Particles having approximately 750 μm or 2.5 mm were prepared from the following lipid-based matrices: cocoa butter, fractionated palm kernel oil (FPKO, chocolate, beeswax, carnauba wax, and paraffin. They were added to solutions designed to simulate gastric secretions (GS or duodenum secretions (DS at 37°C. Paraffin, carnauba wax, and bees wax did not dissolve in either the GS or DS media. Cocoa butter, FPKO, and chocolate dissolved in the DS medium. Cocoa butter, and to a lesser extent chocolate, also dissolved in the GS medium. With chocolate, dissolution was twice as fast as that with small particles (750 μm as compared to the larger (2.5 mm ones. With 750 μm particle sizes, 90% dissolution of chocolate beads was attained after only 60 minutes in the DS medium, while it took 120 minutes for 70% of FPKO beads to dissolve in the same conditions. The data are discussed from the perspective of controlled release in the gastrointestinal tract of encapsulated ingredients (minerals, oils, probiotic bacteria, enzymes, vitamins, and peptides used in the development of functional foods.

  6. Food Allergy (United States)

    Food allergy is an abnormal response to a food triggered by your body's immune system. In adults, the foods ... a severe reaction called anaphylaxis. Symptoms of food allergy include Itching or swelling in your mouth Vomiting, ...

  7. Food Allergies (United States)

    ... de los dientes Video: Getting an X-ray Food Allergies KidsHealth > For Kids > Food Allergies Print A ... cow's milk eggs soy wheat What Is a Food Allergy? Food allergies happen when the immune system ...

  8. Food Poisoning (United States)

    ... digest foods, such as soda crackers, toast, gelatin, bananas and rice. Stop eating if your nausea returns. ... food-safety-education/get-answers/food-safety-fact-sheets/safe-food-handling/the-big-thaw-safe-defrosting- ...

  9. Security Information System Digital Simulation

    Directory of Open Access Journals (Sweden)

    Tao Kuang


    Full Text Available The study built a simulation model for the study of food security information system relay protection. MATLAB-based simulation technology can support the analysis and design of food security information systems. As an example, the food security information system fault simulation, zero-sequence current protection simulation and transformer differential protection simulation are presented in this study. The case studies show that the simulation of food security information system relay protection is effective and feasible.

  10. Suitability of polystyrene as a functional barrier layer in coloured food contact materials. (United States)

    Genualdi, Susan; Addo Ntim, Susana; Begley, Timothy


    Functional barriers in food contact materials (FCMs) are used to prevent or reduce migration from inner layers in multilayer structures to food. The effectiveness of functional barrier layers was investigated in coloured polystyrene (PS) bowls due to their intended condition of use with hot liquids such as soups or stew. Migration experiments were performed over a 10-day period using USFDA-recommended food simulants (10% ethanol, 50% ethanol, corn oil and Miglyol) along with several other food oils. At the end of the 10 days, solvent dyes had migrated from the PS bowls at 12, 1 and 31,000 ng cm(-)(2) into coconut oil, palm kernel oil and Miglyol respectively, and in coconut oil and Miglyol the colour change was visible to the human eye. Scanning electron microscope (SEM) images revealed that the functional barrier was no longer intact for the bowls exposed to coconut oil, palm kernel oil, Miglyol, 10% ethanol, 50% ethanol and goat's milk. Additional tests showed that 1-dodecanol, a lauryl alcohol derived from palm kernel oil and coconut oil, was present in the PS bowls at an average concentration of 11 mg kg(-1). This compound is likely to have been used as a dispersing agent for the solvent dye and aided the migration of the solvent dye from the PS bowl into the food simulant. The solvent dye was not found in the 10% ethanol, 50% ethanol and goat's milk food simulants above their respective limits of detection, which is likely to be due to its insolubility in aqueous solutions. A disrupted barrier layer is of concern because if there are unregulated materials in the inner layers of the laminate, they may migrate to food, and therefore be considered unapproved food additives resulting in the food being deemed adulterated under the Federal Food Drug and Cosmetic Act.

  11. Reduction of Escherichia coli O157:H7 on produce by use of electrolyzed water under simulated food service operation conditions. (United States)

    Pangloli, Philipus; Hung, Yen-Con; Beuchat, Larry R; King, C Harold; Zhao, Zhi-Hui


    Treatment of fresh fruits and vegetables with electrolyzed water (EW) has been shown to kill or reduce foodborne pathogens. We evaluated the efficacy of EW in killing Escherichia coli O157:H7 on iceberg lettuce, cabbage, lemons, and tomatoes by using washing and/or chilling treatments simulating those followed in some food service kitchens. Greatest reduction levels on lettuce were achieved by sequentially washing with 14-A (amperage) acidic EW (AcEW) for 15 or 30 s followed by chilling in 16-A AcEW for 15 min. This procedure reduced the pathogen by 2.8 and 3.0 log CFU per leaf, respectively, whereas washing and chilling with tap water reduced the pathogen by 1.9 and 2.4 log CFU per leaf. Washing cabbage leaves for 15 or 30 s with tap water or 14-A AcEW reduced the pathogen by 2.0 and 3.0 log CFU per leaf and 2.5 to 3.0 log CFU per leaf, respectively. The pathogen was reduced by 4.7 log CFU per lemon by washing with 14-A AcEW and 4.1 and 4.5 log CFU per lemon by washing with tap water for 15 or 30 s. A reduction of 5.3 log CFU per lemon was achieved by washing with 14-A alkaline EW for 15 s prior to washing with 14-A AcEW for 15 s. Washing tomatoes with tap water or 14-A AcEW for 15 s reduced the pathogen by 6.4 and 7.9 log CFU per tomato, respectively. Application of AcEW using procedures mimicking food service operations should help minimize cross-contamination and reduce the risk of E. coli O157:H7 being present on produce at the time of consumption.

  12. The Center for Advanced Food Technology: Food Related Studies. (United States)


    34 Journal of Food Enneering, 11(1):29. Kokini, J.L. (1992) "Measurement and Simulation of Shear and Shear Free (Extensional) Flows in Food Rheology ...Kokini (1991) "Effect of Propylene Glycol Alginate and Xanthan on the Stability of o/w Emulsions," Journal of Food Science, 56(2):513. Zhang, Y. and C-T

  13. Food allergy

    Directory of Open Access Journals (Sweden)

    Youngshin Han


    Full Text Available Food allergy is an important public health problem affecting 5% of infants and children in Korea. Food allergy is defined as an immune response triggered by food proteins. Food allergy is highly associated with atopic dermatitis and is one of the most common triggers of potentially fatal anaphylaxis in the community. Sensitization to food allergens can occur in the gastrointestinal tract (class 1 food allergy or as a consequence of cross reactivity to structurally homologous inhalant allergens (class 2 food allergy. Allergenicity of food is largely determined by structural aspects, including cross-reactivity and reduced or enhanced allergenicity with cooking that convey allergenic characteristics to food. Management of food allergy currently focuses on dietary avoidance of the offending foods, prompt recognition and treatment of allergic reactions, and nutritional support. This review includes definitions and examines the prevalence and management of food allergies and the characteristics of food allergens.

  14. Terminologie alimentaire (Food Terminology). (United States)

    Pelletier, Jean-Francois


    Translations and descriptions are given in French for a number of English food terms: convenience foods, fast foods, fast foods industry, fast foods restaurant, frozen foods, deep frozen foods, fast frozen foods, quick frozen foods, dry frozen foods. (MSE)

  15. Determination of Non-aqueous Titration of Sodium Saccharin Content in Foods%非水滴定法测定食品中糖精钠含量的研究

    Institute of Scientific and Technical Information of China (English)

    宣亚文; 谢东坡; 武文


    [Objective] A method for rapid determination of sodium saccharin in foods was established. [Method] With glacial acetic acid as the solvent, the sodium content in foods was determined with perchloric acid standard solution of glacial acetic acid titration. [Result] RSD was 0.77%-0.96%, and addition recovery rate was 97.1%-100.2%. [Conclusion] The determination method was accurate, precise, reliable, reproducible and simple.%[目的] 在非水条件下,建立快速测定食品中糖精钠的方法.[方法] 以冰乙酸为溶剂,用高氯酸的冰乙酸标准溶液滴定,测定食品中糖精钠的含量.[结果] 经过反复试验,相对标准误差为0.77%~0.96%,加标回收率达97.1%~100.2%.[结论] 该方法定量分析准确,精确度高,可靠性和重现性好.

  16. 基于 Aspen Adsorption 的活性炭吸附溶液中镍离子的模拟研究%Simulation study on adsorption of nickel ion onto activated carbon from aqueous solution based on Aspen Adsorption

    Institute of Scientific and Technical Information of China (English)

    刘金昌; 曹俊雅; 刘娟; 解强


      利用 Aspen Adsorption 对活性炭吸附溶液中镍离子的过程进行模拟研究。通过静态吸附实验数据拟合、吸附等温线常数项估算,建立了实验室规模的活性炭吸附溶液中镍离子的单塔吸附模型;在设置的进料流量为0.001 m3/s、进料浓度为50 mg/m3的初始条件下,模拟计算获得了吸附塔出口液相中镍离子浓度随时间的变化和沿床层轴向的分布,并考察了进料浓度、进料流量和传质系数等对吸附过程和穿透曲线的影响。结果表明:模拟计算结果与实验结果基本吻合,模型假设、参数设置合理,研究条件下吸附床层在15000 s 后被完全穿透;随进料镍离子浓度、进料流量的增大,吸附床层的穿透曲线均前移,进料流量的影响更为显著,进料镍离子浓度由50 mg/m3增大至5000 mg/m3时,穿透时间从3500 s 提前至1500 s,而进料量由0.001 m3/s 提高到0.002 m3/s 时,穿透时间从3500 s 即提前至1700 s;传质系数≤0.1 s-1时对吸附性能影响显著。模拟研究、计算为放大试验及实际工程应用工艺参数的选择提供了依据。%  Adsorption process of nickel ion onto activated carbon from aqueous solution was simulated and studied with the aid of Aspen Adsorption. The model of a laboratory scale column for nickel adsorption was built on the basis of the experimental data fitting and the adsorption isotherm constants estimating. The nickel ion concentration at exit of adsorption column vs time curve and bed axial loading distribution of nickel ion were obtained from simulation results with the assumption of process parameters, including feed flow rate of 0.001 m3/s and feed concentration of 50 mg/m3. Also, the influences of feed concentration, feed flow rate and mass transfer coefficient on adsorption process and breakthrough curve were investigated. The results reveal that the simulated values of the model are consistent with

  17. Nanostructured aqueous dispersions of citrem interacting with lipids and PEGylated lipids

    DEFF Research Database (Denmark)

    Hedegaard, S.F.; Nilsson, Christa; Laurinmäki, P.;


    We report on the formation of nanostructured aqueous dispersions based on the negatively charged food-grade emulsifier citrem (citric acid esters of mono- and diglycerides). To our knowledge, this is the first report in the literature on the spontaneous formation of aqueous PEGylated and non-PEGy...

  18. Food additives (United States)

    ... this page: // Food additives To use the sharing features on this page, please enable JavaScript. Food additives are substances that become part of a food ...

  19. Food Labels (United States)

    ... Loss Surgery? A Week of Healthy Breakfasts Shyness Food Labels KidsHealth > For Teens > Food Labels Print A ... have at least 95% organic ingredients. continue Making Food Labels Work for You The first step in ...

  20. Extraction of Tartrazine from Food Colorants by PEG/Salt Aqueous Two-Phase System%PEG/盐双水相萃取食用色素柠檬黄的研究

    Institute of Scientific and Technical Information of China (English)

    姜彬; 李冬梅; 冯志彪


    采用PEG/盐双水相体系萃取食用色素柠檬黄。考察了成相物质对柠檬黄吸光度的影响,在此基础上考察了PEG相对分子量、PEG浓度、盐的种类及浓度、p H 对萃取效果的影响,确定了萃取柠檬黄的最佳条件:18% PEG2000,15%(NH4)2SO4,pH 为6。该体系对柠檬黄色萃取效果不受外加无机盐的影响,但表面活性剂的存在对萃取效果有较大影响。%An aqueous two-phase system (ATPS )is presented with polyethylene glycol (PEG )and salt for the extraction of tartrazine in this paper.The extraction of tartrazine in ATPS is investigated. Concentration of (NH4 )2 SO4 and PEG,pH value and other factors are evaluated to determine their effects on the extraction yield of tartrazine.The results show that the extraction yield strongly de-pends on the concentration of PEG and (NH4 )2 SO4 .A high extraction yield around 98% is achieved with the following parameters:(NH4)2SO4 15%,PEG2000 18%,pH 6.It is found that the extrac-tion yield undepends on the additional salt,but the presence of surfactant influences the extraction yield evidently.

  1. Treatment of Aqueous Solutions

    NARCIS (Netherlands)

    Van Spronsen, J.; Witkamp, G.J.


    The invention is directed to a process for the recovery or removal of one or more crystallizable compounds from an aqueous solution containing, apart from the said crystallizable compounds, one or more organic or inorganic scale- forming or scale-inducing materials having a lower solubility in water

  2. 氯化钾溶液中离子水化的分子动力学模拟%Molecular dynamics simulation of ionic concentration effects on ionic hydration in aqueous KCI solutions

    Institute of Scientific and Technical Information of China (English)

    周倩; 袁俊生; 包捷; 李非


    使用Material Studio软件包中的COMPASS力场,采用分子动力学模拟的方法研究了温度为298.15 K时,浓度分别为1.065 mol/L、2.140 mol/L、3.129 mol/L的氯化钾溶液中离子水化的微观结构和动力学性质.发现浓度对离子近程水化的结构有一定的影响,随着溶液浓度的增加O-O径向分布函数变化显著,高浓度时水分子周围不再有明显的第二配位圈.K+和Cl-的离子配位数、离子水化数、水化半径都随着浓度的增加逐渐减小.而溶液浓度的增加,加剧了离子微观反向运动的振荡,导致离子的自扩散系数降低.本文的研究结果为海水提取氯化钾技术的发展奠定了一定的理论基础.%The molecular dynamics simulations of aqueous KC1 solutions with different concentrations, ranging from 1.065 mol/L to 3.129 mol/L, were carried out at 298.15 K. to investigate the structure and dynamical properties of ionic hydration employing COMPASS force field of Materials Studio software package. It was found that significant structural changes occurred in the O-O radial distribution function of water molecules and there is no well-defined second hydration shell around a central water molecule when the ion concentration was more than 3.129 mol/L. The coordination numbers, hydration numbers and hydrated radius of K+ and Cl- decrease gradually with the increase of ion concentrations. The increase of ion concentration results in the enhancement of the oscillations in the microscopic dynamics of the ions and the decrease of self-diffusion coefficients of K+ and Cl- both.

  3. Effect of high-pressure food processing on the physical properties of synthetic and biopolymer films. (United States)

    Galotto, M J; Ulloa, P A; Guarda, A; Gavara, R; Miltz, J


    The effect of high-pressure processing on 2 plastic food packaging films, a biopolymer (PLASiOx/PLA) and a synthetic polymer (PET-AlOx), was studied. Samples in direct contact with olive oil, as a fatty food simulant, and distilled water, as an aqueous simulant, were subjected to a pressure of 500MPa for 15 min at 50 degrees C. The mechanical, thermal, and gas barrier properties of both films were evaluated after the high-pressure processing (HPP) and compared to control samples that have not undergone this treatment. Significant changes in all properties were observed in both films after the HPP treatment and in contact with the food simulants. In both films an induced crystallization was noticed. In the PLASiOx/PLA film the changes were larger when in contact with water that probably acted as a plasticizer. In the PET-AlOx film the changes in properties were attributed to the formation of pinholes and cracks during the HPP treatment. In this film, most of the properties changed more in the presence of oil as the food simulant.

  4. Evaluation of element migration from food plastic packagings into simulated solutions using radiometric method; Avaliacao da migracao de elementos de embalagens plasticas de alimentos para solucoes simulantes pelo metodo radiometrico

    Energy Technology Data Exchange (ETDEWEB)

    Soares, Eufemia Paez [Escola SENAI ' Fundacao Zerrenner' , Sao Paulo, SP (Brazil)]. E-mail:; Saiki, Mitiko [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil)]. E-mail:; Wiebeck, Helio [Sao Paulo Univ., SP (Brazil). Escola Politecnica]. E-mail:


    In the present study a radiometric method was established to determine the migration of elements from food plastic packagings to a simulated acetic acid solution. This radiometric method consisted of irradiating plastic samples with neutrons at IEA-R1 nuclear reactor for a period of 16 hours under a neutron flux of 10{sup 12} n cm{sup -2} s{sup -1} and, then to expose them to the element migration into a simulated solution. The radioactivity of the activated elements transferred to the solutions was measured to evaluate the migration. The experimental conditions were: time of exposure of 10 days at 40 deg C and 3% acetic acid solution was used as simulated solution, according to the procedure established by the National Agency of Sanitary Monitoring (ANVISA). The migration study was applied for plastic samples from soft drink and juice packagings. The results obtained indicated the migration of elements Co, Cr and Sb. The advantage of this methodology was no need to analyse the blank of simulantes, as well as the use of high purity simulated solutions. Besides, the method allows to evaluate the migration of the elements into the food content instead of simulated solution. The detention limits indicated high sensitivity of the radiometric method. (author)

  5. Simultaneous Separation of Manganese, Cobalt, and Nickel by the Organic-Aqueous-Aqueous Three-Phase Solvent Extraction (United States)

    Shirayama, Sakae; Uda, Tetsuya


    This research outlines an organic-aqueous-aqueous three-phase solvent extraction method and proposes its use in a new metal separation process for the recycling of manganese (Mn), cobalt (Co), and nickel (Ni) from used lithium ion batteries (LIBs). The three-phase system was formed by mixing xylene organic solution, 50 pct polyethylene glycol (PEG) aqueous solution, and 1 mol L-1 sodium sulfate (Na2SO4) aqueous solution. The xylene organic solution contained 2-ethylhexylphosphonic acid (D2EHPA) as an extractant for Mn ion, and the Na2SO4 aqueous solution contained 1 mol L-1 potassium thiocyanate (KSCN) as an extractant for Co ion. Concentrations of the metal ions were varied by dissolving metal sulfates in the Na2SO4 aqueous solution. As a result of the experiments, Mn, Co, and Ni ions were distributed in the xylene organic phase, PEG-rich aqueous phase, and Na2SO4-rich aqueous phase, respectively. The separation was effective when the pH value was around 4. Numerical simulation was also conducted in order to predict the distribution of metal ions after the multi-stage counter-current extractions.

  6. Working for Food Shifts Nocturnal Mouse Activity into the Day

    NARCIS (Netherlands)

    Hut, Roelof A.; Pilorz, Violetta; Boerema, Ate S.; Strijkstra, Arjen M.; Daan, Serge; Yamazaki, Shin


    Nocturnal rodents show diurnal food anticipatory activity when food access is restricted to a few hours in daytime. Timed food access also results in reduced food intake, but the role of food intake in circadian organization per se has not been described. By simulating natural food shortage in mice

  7. Food masquerade. (United States)

    Bermingham, Ann


    Radishes cut to look like roses, watermelons carved into fruit baskets, apples made into swans, cakes frosted to look like dolls—when did this game of food masquerade start and how? This essay speculates about food's on-going history of disguise, of pretending to be what it's not. From the Renaissance courtier's delight in confections disguised as beasts, birds, and other fancies to our present day fascination with Japanese bento lunch boxes, food masquerade would seem to be a fanciful part of the history of food.Food masquerade injects some levity into our growing seriousness about food, our suspicion that most supermarket food is riddled with toxins and bad karma. It proposes that eating food should be fun. Food masquerade also gets to the very heart of artistic visual representation: the magical transformation of paint, clay or wood into an image of something else. It is a synecdoche for art itself.

  8. Food allergies.

    LENUS (Irish Health Repository)

    O'Leary, Paula F G


    Adverse reactions to foods are commonly implicated in the causation of ill health. However, foreign antigens, including food proteins and commensal microbes encountered in the gastrointestinal tract, are usually well tolerated. True food allergies, implying immune-mediated adverse responses to food antigens, do exist, however, and are especially common in infants and young children. Allergic reactions to food manifest clinically in a variety of presentations involving the gastrointestinal, cutaneous, and respiratory systems and in generalized reactions such as anaphylaxis. Both IgE-mediated and non-IgE-mediated immune mechanisms are recognized. Important advances in the clinical features underlying specific food hypersensitivity disorders are reviewed.


    Directory of Open Access Journals (Sweden)

    Dorina Ardelean


    Full Text Available The assurance of food security at the individual level doesn’t implicitly provide for the one at family level as the concepts of hunger, malnutrition and food insecurity are the steps of the same process of access restricted to a sufficient supply of food. In order to achieve food security at the individual level the following is necessary: ensuring food availability (production, reserve stocks; redistribution of food availability within the country or out through international exchanges; effective access of the population to purchase food consumer goods, by ensuring its effective demand as required. Food security of families (FFS is required for assuring individual food security (IFS, but it is not sufficient because the food available may be unevenly distributed between family members. National food security (NFS corresponds to the possibilities that different countries have to ensure both FFS and IFS without sacrificing other important objectives. Under the name of GAS is defined the global food security which represents permanent access for the entire population of the globe to the necessary food for a healthy and active life.

  10. Food Redistribution as Optimization

    CERN Document Server

    Phillips, Caleb; Higbee, Becky


    In this paper we study the simultaneous problems of food waste and hunger in the context of the possible solution of food (waste) rescue and redistribution. To this end, we develop an empirical model that can be used in Monte Carlo simulations to study the dynamics of the underlying problem. Our model's parameters are derived from a unique data set provided by a large food bank and food rescue organization in north central Colorado. We find that food supply is a non-parametric heavy-tailed process that is well-modeled with an extreme value peaks-over-threshold model. Although the underlying process is stochastic, the basic approach of food rescue and redistribution appears to be feasible both at small and large scales. The ultimate efficacy of this model is intimately tied to the rate at which food expires and hence the ability to preserve and quickly transport and redistribute food. The cost of the redistribution is tied to the number and density of participating suppliers, and costs can be reduced (and supp...

  11. Food irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Webb, T.


    The proposed use of gamma radiation from cobalt 60 and cesium 137 for food irradiation in the United Kingdom is discussed, with particular reference to the possible dangers and disadvantages to the safety and wholesomeness of the food.

  12. Food Safety (United States)

    ... Unsafe food can also spread foodborne illnesses like salmonellosis and Campylobacter (pronounced: kam-pye-low-BAK-tur) ... Why Should I Care About Germs? Food Poisoning Salmonellosis Cooking Tips and Resources Contact Us Print Resources ...

  13. Food jags (United States)

    Refusal to eat; Fear of new foods ... caregiver, it is your role to provide healthy food and drink choices. You can also help your ... are full. Children should be allowed to choose foods based on their likes and dislikes and their ...

  14. Genotoxicity of styrene oligomers extracted from polystyrene intended for use in contact with food

    Directory of Open Access Journals (Sweden)

    Makoto Nakai


    Full Text Available Here, we conducted in vitro genotoxicity tests to evaluate the genotoxicity of styrene oligomers extracted from polystyrene intended for use in contact with food. Styrene oligomers were extracted with acetone and the extract was subjected to the Ames test (OECD test guideline No. 471 and the in vitro chromosomal aberration test (OECD test guideline No. 473 under good laboratory practice conditions. The concentrations of styrene dimers and trimers in the concentrated extract were 540 and 13,431 ppm, respectively. Extraction with acetone provided markedly higher concentrations of styrene oligomers compared with extraction with 50% ethanol aqueous solution, which is the food simulant currently recommended for use in safety assessments of polystyrene by both the United States Food and Drug Administration and the European Food Safety Authority. And these high concentrations of styrene dimers and trimers were utilized for the evaluation of genotoxicity in vitro. Ames tests using five bacterial tester strains were negative both in the presence or absence of metabolic activation. The in vitro chromosomal aberration test using Chinese hamster lung cells (CHL/IU was also negative. Together, these results suggest that the risk of the genotoxicity of styrene oligomers that migrate from polystyrene food packaging into food is very low.

  15. Changes in the color, chemical stability and antioxidant capacity of thermally treated anthocyanin aqueous solution over storage. (United States)

    Sui, Xiaonan; Bary, Solène; Zhou, Weibiao


    Many anthocyanin-containing foods are thermally processed to ensure their safety, and stored for some time before being consumed. However, the combination of thermal processing and subsequent storage has a significant impact on anthocyanins. This study aimed to investigate the color, chemical stability, and antioxidant capacity of thermally treated anthocyanin aqueous solutions during storage at 4, 25, 45, and 65 °C, respectively. Anthocyanin aqueous solutions were thermally treated before storage. Results showed that the degradation rate of anthocyanins in aqueous solutions was much faster than those in real food. The color of the anthocyanin aqueous solutions changed dramatically during storage. The anthocyanin aqueous solutions stored at 4 °C showed the best chemical stability. Interestingly, the antioxidant capacity of the anthocyanin aqueous solutions stored at lower temperatures remained the same; however, the antioxidant capacity of those thermally treated at 120 or 140 °C and stored at 45 or 65 °C significantly decreased.

  16. Hydrophobic effect at aqueous interfaces (United States)

    Pohorille, Andrew


    Conceptual basis for hydrophobic effects in bulk water and at aqueous interfaces have similar conceptual basis but often manifests itself differently. Using a wide range of computer simulations as the basis, I will review different forms of hydrophobic effects at a variety of interfaces starting from simple liquid-vapor and water-oil interfaces and progressing to water-membrane interfaces. I will start with discussing how water is organized at different interfaces, stressing both similarities and differences. The main thread is that, as in the bulk liquid, hydrophobic effects have profound influence on conformational equilibria and organization of both small molecules and macromolecules, but the result of this influence is quite different. Specifically, it will be shown that many small, but not necessarily amphiphilic molecules tend to accumulate at the interface and, and this tendency will be explained. Furthermore, I will show that many short peptides that are disordered in water spontaneously fold into well-defined structures in the interfacial environment. Biological implications of this self-organizing effect will be discussed.

  17. Local food:

    DEFF Research Database (Denmark)

    Sundbo, Donna Isabella Caroline


    Recently there has been more focus on food in general and local food in particular. But what is local food? And what are the perceptions of this concept according to theory and to providers and consumers of local food? This article first summarises and compares three different theoretical...... as expressed by a group of Danish providers and consumers is empirically investigated through interviews, observation and surveys. From this, qualitative and quantitative data are generated, the analysis of which shows how varied perceptions of local food are. The elements of which the perceptions consist...... are identified and then categorised according to whether they pertain to the food product itself or the production methods and facilities and whether they describe physical or social properties of local food. From this a model with four categories is developed. It is found that properties of the product are more...

  18. Food economics

    DEFF Research Database (Denmark)

    Hansen, Henning Otte

    Food and food markets still enjoy a pivotal role in the world economy and the international food industry is moving towards greater consolidation and globalization, with increased vertical integration and changes to market structure. Companies grow bigger in order to obtain economies of scale...... and issues and such as food security, quality, obesity and health are ever important factors. This book describes the link between food markets and food companies from a theoretical and a business economics perspective. The relationships, trends and impacts on the international food market are presented......, and the topic is related to actual business conditions. Each chapter is accompanied by questions and assignments designed to help students in their learning....

  19. Food, novel foods, and allergenicity

    NARCIS (Netherlands)

    Loveren H van; LPI


    Certain foods lead may to allergic responses in certain individuals. Main allergenic foods are Crustacea (shrimp, lobster, crab), egg, fish, milk, peanuts, soybeans, tree nuts, and wheat, and allergens are always proteins. A wide array of symptoms can result from food allergy (gastrointestinal, ski

  20. Reducing food losses to protect domestic food security in the Middle East and North Africa

    NARCIS (Netherlands)

    Rutten, M.M.; Kavallari, A.


    Food security policies are usually costly and involve trade-offs. We investigated this issue by simulating three policy responses to rising world food prices, using the MAGNET model applied to the Middle East and North Africa. A policy of tackling agricultural food losses increases food consumption

  1. Density of aqueous solutions of CO2

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Julio E.


    In this report, we present a numerical representation for the partial molar volume of CO2 in water and the calculation of the corresponding aqueous solution density. The motivation behind this work is related to the importance of having accurate representations for aqueous phase properties in the numerical simulation of carbon dioxide disposal into aquifers as well as in geothermal applications. According to reported experimental data the density of aqueous solutions of CO2 can be as much as 2-3% higher than pure water density. This density variation might produce an influence on the groundwater flow regime. For instance, in geologic sequestration of CO2, convective transport mixing might occur when, several years after injection of carbon dioxide has stopped, the CO2-rich gas phase is concentrated at the top of the formation, just below an overlaying caprock. In this particular case the heavier CO2 saturated water will flow downward and will be replaced by water with a lesser CO2 content.

  2. Simulation modelling and risk assessment as tools to identify the impact of climate change on microbiological food safety – The case study of fresh produce supply chain

    NARCIS (Netherlands)

    Jacxsens, L.; Luning, P.A.; Vorst, van der J.G.A.J.; Devlieghere, F.; Leemans, R.; Uyttendaele, M.


    The current quality assurance and control tools and methods to prevent and/or to control microbiological risks associated with fresh produce are challenged due to the following pressures upon the food supply chain, i.e. changing consumption patterns, globalization and climate change. It demonstrates

  3. Inhibition Effect of Mace Extract Microemulsion on Vitamin C Photooxidation in Aqueous Systems

    Directory of Open Access Journals (Sweden)

    Hasbullah Hasbullah


    Full Text Available Photooxidation in food systems cause nutritional losses and produces undesirable flavor, toxic and color compounds, which make foods less acceptable or unacceptable to consumers. The objective of this research was to know the effectiveness of mace extract microemulsion to inhibit vitamin C photooxidation in aqueous systems. Aqueous food systems used are both beverage model system and apple juice beverage, where in each system enriched by 100 ppm vitamin C as substrate and 20 ppm erytrosin as photosensitiser. It is about one percent and two percent of microemulsion that contain mace extract of 0, 500 and 750 ppm were added into each of aqueous food system. Inhibition effect of mace extract microemulsion toward vitamin C photooxidation based on the rate of vitamin C degradation in aqueous food systems that illuminated by fluorescent light with 2000 lux intensity within eight hours. The result indicated the mace extract microemulsion has anti-photooxidation activity and ability to inhibit vitamin C photooxidation in aqueous systems.

  4. Cost Evaluation of CO2 Sequestration by Aqueous Mineral Carbonation

    NARCIS (Netherlands)

    Huijgen, W.J.J.; Comans, R.N.J.; Witkamp, G.J.


    A cost evaluation of CO2 sequestration by aqueous mineral carbonation has been made using either wollastonite (CaSiO3) or steel slag as feedstock. First, the process was simulated to determine the properties of the streams as well as the power and heat consumption of the process equipment. Second, a

  5. Development, calibration, and predictive results of a simulator for subsurface pathway fate and transport of aqueous- and gaseous-phase contaminants in the Subsurface Disposal Area at the Idaho National Engineering and Environmental Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Magnuson, S.O.; Sondrup, A.J.


    This document presents the development, calibration, and predictive results of a simulation study of fate and transport of waste buried in the Subsurface Disposal Area (SDA) (which is hereafter referred to as the SDA simulation study). This report builds on incorporates a previous report that dealt only with the calibration of a flow model for simulation of water movement beneath the SDA (Magnuson and Sondrup 1996). The primary purpose of the SDA simulation study was to perform fate and transport calculations to support the IRA. A secondary purpose of the SDA simulation study was to be able to use the model to evaluate possible remediation strategies and their effects on flow and transport in the OU 7-13/14 feasibility study.

  6. Aqueous humor changes after experimental filtering surgery. (United States)

    Radius, R L; Herschler, J; Claflin, A; Fiorentino, G


    We studied aqueous humor of rhesus and owl monkeys for its effect on the growth of subconjunctival fibroblasts in tissue culture. Aqueous humor samples obtained before glaucoma surgery inhibited the initiation of growth of fibroblasts. However, postoperative aqueous humor samples supported growth of fibroblasts. The change in aqueous humor physiology lasted for up to two months after glaucoma surgery. Our study indicated that possibly material added to the postoperative aqueous humor inactivates an inhibitor normally present in primary aqueous humor. An alternative explanation would be that primary aqueous humor, in contrast to secondary aqueous humor, lacks sufficient nutrient material to support fibroblast growth in tissue culture.

  7. A Monte-Carlo step-by-step simulation code of the non-homogeneous chemistry of the radiolysis of water and aqueous solutions--Part II: calculation of radiolytic yields under different conditions of LET, pH, and temperature. (United States)

    Plante, Ianik


    The importance of the radiolysis of water in the initial events following irradiation of biological systems has motivated considerable theoretical and experimental work in the field of radiation chemistry of water and aqueous systems. These studies include Monte-Carlo simulations of the radiation track structure and of the non-homogeneous chemical stage, which have been successfully used to calculate the yields of radiolytic species (H(·), (·)OH, H(2), H(2)O(2), e (aq) (-) , …). Most techniques used for the simulation of the non-homogeneous chemical stage such as the independent reaction time (IRT) technique and diffusion kinetics methods do not calculate the time evolution of the positions of the radiolytic species. This is a major limitation to their extension to the simulation of the irradiation of radiobiological systems. Step-by-step (SBS) simulation programs provide such information, but they are very demanding in term of computer power and storage capacity. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry simulations. In the first of a series of two papers, the SBS method has been reviewed in details and the implementation of a SBS code has been discussed. In this second paper, the results of several studies are presented: (1) the time evolution of the radiolytic yields from the formation of the radiation track to 10(-6) s; (2) the effect of pH on yields (pH ~ 0.4-7.0); (3) the effect of proton energy (and LET) on yields (300 MeV-0.1 MeV), and iv) the effect of the ion type ((1)H(+), (4)He(2+), (12)C(6+)) on yields. Nonbiological applications, i.e., the study of the temperature on the yields (about 25-300°C) and the simulation of the time evolution of G(Fe(3+)) in the Fricke dosimeter are also discussed.

  8. A Study on the Aqueous Formation of Secondary Organic Aerosols (United States)

    Sinclair, K.; Tsigaridis, K.


    The effect aerosols have on radiative forcing in the atmosphere is recognized as one of the largest uncertainties in the radiation budget. About 80% of organic aerosol mass in the atmosphere is estimated to be created though secondary processes. Recently, the aqueous formation of secondary organic aerosols (SOA) has become recognized as important when considering the source, transformation and radiative impacts of SOA. This work focuses on implementing a mechanism for aqueous SOA formation that can be used in atmospheric chemistry and models of all scales, from box to global. A box model containing a simplified chemical mechanism for the aqueous production of precursors of aqueous SOA (Myriokefalitakis et al. (2011) is coupled to gas-phase chemistry which uses the carbon bond mechanism (CBM) IV is presented. The model implements aqueous chemistry of soluble gases, both in-cloud and aerosol water, including organic compounds such as glyoxal and methylglyoxal, which have been shown as potentially significant sources for dissolved secondary organic aerosols. This mechanism implements aqueous phase mass transfer and molecular dissociation. The model's performance is evaluated against previous box model studies from the literature. A comparison is conducted between the detailed GAMMA model (McNeill et al., 2012), which is constrained with chamber experiments and the one developed here. The model output under different atmospheric conditions is explored and differences and sensitivities are assessed. The objective of this work is to create a robust framework for simulating aqueous phase formation of SOA and maximizing the computational efficiency of the model, while maintaining accuracy, in order to later use the exact mechanism in global climate simulations.

  9. Food waste or wasted food


    van Graas, Maaike Helene


    In the industrialized world large amounts of food are daily disposed of. A significant share of this waste could be avoided if different choices were made by individual households. Each day, every household makes decisions to maximize their happiness while balancing restricted amounts of time and money. Thinking of the food waste issue in terms of the consumer choice problem where households can control the amount of wasted food, we can model how households can make the best decisions. I...

  10. Aqueous Angiography: Real-Time and Physiologic Aqueous Humor Outflow Imaging.

    Directory of Open Access Journals (Sweden)

    Sindhu Saraswathy

    Full Text Available Trabecular meshwork (TM bypass surgeries attempt to enhance aqueous humor outflow (AHO to lower intraocular pressure (IOP. While TM bypass results are promising, inconsistent success is seen. One hypothesis for this variability rests upon segmental (non-360 degrees uniform AHO. We describe aqueous angiography as a real-time and physiologic AHO imaging technique in model eyes as a way to simulate live AHO imaging.Pig (n = 46 and human (n = 6 enucleated eyes were obtained, orientated based upon inferior oblique insertion, and pre-perfused with balanced salt solution via a Lewicky AC maintainer through a 1mm side-port. Fluorescein (2.5% was introduced intracamerally at 10 or 30 mm Hg. With an angiographer, infrared and fluorescent (486 nm images were acquired. Image processing allowed for collection of pixel information based on intensity or location for statistical analyses. Concurrent OCT was performed, and fixable fluorescent dextrans were introduced into the eye for histological analysis of angiographically active areas.Aqueous angiography yielded high quality images with segmental patterns (p<0.0001; Kruskal-Wallis test. No single quadrant was consistently identified as the primary quadrant of angiographic signal (p = 0.06-0.86; Kruskal-Wallis test. Regions of high proximal signal did not necessarily correlate with regions of high distal signal. Angiographically positive but not negative areas demonstrated intrascleral lumens on OCT images. Aqueous angiography with fluorescent dextrans led to their trapping in AHO pathways.Aqueous angiography is a real-time and physiologic AHO imaging technique in model eyes.

  11. [Food irradiation]. (United States)

    Migdał, W


    A worldwide standard on food irradiation was adopted in 1983 by Codex Alimentarius Commission of the Joint Food Standard Programme of the Food and Agriculture Organization (FAO) of the United Nations and the World Health Organization (WHO). As a result, 41 countries have approved the use of irradiation for treating one or more food items and the number is increasing. Generally, irradiation is used to: food loses, food spoilage, disinfestation, safety and hygiene. The number of countries which use irradiation for processing food for commercial purposes has been increasing steadily from 19 in 1987 to 33 today. In the frames of the national programme on the application of irradiation for food preservation and hygienization an experimental plant for electron beam processing has been established in Institute of Nuclear Chemistry and Technology. The plant is equipped with a small research accelerator Pilot (19MeV, 1 kW) and an industrial unit Elektronika (10MeV, 10 kW). On the basis of the research there were performed at different scientific institutions in Poland, health authorities have issued permission for irradiation for: spices, garlic, onions, mushrooms, potatoes, dry mushrooms and vegetables.

  12. Food security

    NARCIS (Netherlands)

    Ridder, M. de


    Food security is back on the agenda as a top priority for policy makers. In January 2011, record high food prices resulted in protests in Tunisia, which subsequently led to the spread of the revolutions in other North African and Middle Eastern countries. Although experts have asserted that no state

  13. Food Intimacy

    Directory of Open Access Journals (Sweden)

    Jennifer S. Laurent


    Full Text Available Disordered eating behaviors are implicated in the development and persistence of obesity in childhood, adolescence, and adulthood. The purpose of this study was to provide a qualitative perspective of obese youth’s eating behaviors through the lens of their parent as they attempt to create healthy changes. An in-depth secondary analysis was conducted for the construct of food intimacy that evolved as part of a larger study investigating how parents promote health for their obese child. Seventeen parents of 10- to 14-year-old obese youth were interviewed. Themes and concepts were developed using grounded theory. Parents described child behaviors such as losing control and sneaky eating to obtain food, as well as using food for comfort, pleasure, and simply loving food. The relationship between these children and food was identified as the over-arching theme, food intimacy. This study highlights the intimate relationship these children developed with food and the powerful influence of this relationship on their eating behaviors. This suggests that prescribed interventions such as exercising more and eating less may be ineffective in certain obese children, and that more focus should be placed on investigating the relationship an obese child has with food.

  14. Dissolution of Lipid-Based Matrices in Simulated Gastrointestinal Solutions to Evaluate Their Potential for the Encapsulation of Bioactive Ingredients for Foods


    Yves Raymond; Champagne, Claude P.


    The goal of the study was to compare the dissolution of chocolate to other lipid-based matrices suitable for the microencapsulation of bioactive ingredients in simulated gastrointestinal solutions. Particles having approximately 750 μm or 2.5 mm were prepared from the following lipid-based matrices: cocoa butter, fractionated palm kernel oil (FPKO), chocolate, beeswax, carnauba wax, and paraffin. They were added to solutions designed to simulate gastric secretions (GS) or duodenum secretions ...

  15. Food porn. (United States)

    McBride, Anne E


    Since the term first appeared, food porn has typically referred to watching others cook on television or gazing at unattainable dishes in glossy magazines without actually cooking oneself. This forum seeks to revisit this notion of food porn that is mostly taken for granted in both popular and scholarly literature. It offers a brief perspective of the appearance and use of the term food porn to examine how it came to be a term used mostly by commentators rather than by people actively engaged in the world of cooking. Practitioners (chefs and a food television producer) and academics address whether or not food porn exists, what shape it might take, what purpose it might serve, and/or what usefulness it might have, showing that these contentious issues are more complex than the ease with which the term is used might let on.

  16. Effects of aqueous-soluble organic compounds on the removal of selected radionuclides from high-level waste part I: Distribution of Sr, Cs, and Tc onto 18 absorbers from an irradiated, organic-containing leachate simulant for Hanford Tank 101-SY

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, S.F. [Sandia National Labs., Albuquerque, NM (United States); Svitra, Z.V.; Bowen, S.M. [Los Alamos National Lab., NM (United States)


    Many of the radioactive waste storage tanks at U.S. Department of Energy facilities contain organic compounds that have been degraded by radiolysis and chemical reactions. In this investigation, we measured the effect of some aqueous-soluble organic compounds on the sorption of strontium, cesium, and technetium onto 18 absorbers that offer high sorption of strontium from organic-free solutions. For our test solution we used a leachate from a simulated slurry for Hanford Tank 101-SY that initially contained ethylenediaminetetraacetic acid (EDTA) and then was gamma-irradiated to 34 Mrads. We measured distribution coefficients (Kds) for each element/absorber combination for dynamic contact periods of 30 min, 2 h, and 6 h to obtain information about sorption kinetics. To facilitate comparisons, we include Kd values for these same element/absorber combinations from three organic-free simulant solutions. The Kd values for strontium sorption from the simulant that contained the degraded organics usually decreased by large factors, whereas the Kd values for cesium and technetium sorption were relatively unaffected.

  17. Mars Aqueous Processing System Project (United States)

    National Aeronautics and Space Administration — Mars Aqueous Processing System (MAPS) is an innovative method to produce useful building materials from Martian regolith. Acids and bases produced from the regolith...

  18. Mars Aqueous Processing System Project (United States)

    National Aeronautics and Space Administration — The Mars Aqueous Processing System (MAPS) is a novel technology for recovering oxygen, iron, and other constituents from lunar and Mars soils. The closed-loop...

  19. Preparation and analysis of styrene oligomers containing migrates from various polystyrenes used in food packaging. (United States)

    Klärner, P; Klenz, R; Eder, R; Volz, W E; Schnell, H W; Leyendecker, D; Güntner, A; Niessner, N; Morris, C R; Christian, M S


    simulates an exposure at ambient temperature for several weeks and represents an exaggeration in comparison with yogurt, for which directive 85/572/EEC1 defines 3% aqueous acetic acid as the official food simulant. To further exaggerate the potential concentration of the possible migrates, the surface/volume ratio selected for elution was the maximum experimentally possible, i.e., approximately 56 dm2/kg food for the GPPS and HIPS bars and approximately 38 dm2/kg food for the EPS foam, representing a multiple of approximately 9 (GPPS and HIPS) and 6 (EPS), times the conventional surface/volume ratio of 6 dm2/kg. These obtained styrene oligomer migrates were then diluted to 25% aqueous (v/v) ethanol, a concentration that could be tolerated by the test animals. After dilution, the low and high concentrations represented multiples of 0.5 and 4.6 (GPPS and HIPS) and 0.5 and 3.2 (EPS) the conventional surface/volume ratio, respectively. These levels simulated daily human consumption of 500 or 5,000 g of food for the GPPS and HIPS samples and of 500 or 3,150 g of food for the EPS samples, respectively. The results of the homogeneity, stability and concentration analyses of the styrene dimers and trimers in the migrates indicated that the concentrations of migrants were highest as the result of 50% aqueous ethanol extraction of HIPS test bars followed by GPPS test bars and EPS test foam parts.

  20. Solar Simulator (United States)


    Oriel Corporation's simulators have a high pressure xenon lamp whose reflected light is processed by an optical system to produce a uniform solar beam. Because of many different types of applications, the simulators must be adjustable to replicate many different areas of the solar radiation spectrum. Simulators are laboratory tools for such purposes as testing and calibrating solar cells, or other solar energy systems, testing dyes, paints and pigments, pharmaceuticals and cosmetic preparations, plant and animal studies, food and agriculture studies and oceanographic research.

  1. Space Food (United States)


    In planning for the long duration Apollo missions, NASA conducted extensive research into space food. One of the techniques developed was freeze drying. Action Products commercialized this technique, concentrating on snack food including the first freeze-dried ice cream. The foods are cooked, quickly frozen and then slowly heated in a vacuum chamber to remove the ice crystals formed by the freezing process. The final product retains 98 percent of its nutrition and weighs only 20 percent of its original weight. Action snacks are sold at museums, NASA facilities and are exported to a number of foreign countries. Sales run to several million dollars annually.

  2. [ Food allergy ]. (United States)

    Kamke, W; Frosch, B


    Food allergies' following food incompatibilities, which are not caused immunologically. Mostly allergic symptoms are caused by cow's milk or chicken eggs. Allergic reactions are preceded by sensitizing events; certain characteristics of foodstuffs and conditions in the human body facilitate their development. Gastrointestinal symptoms very often are just accompanying signs. In differential diagnosis the so-called "pseudo-allergies' following food ingestion have to be separated. Most important diagnostic measures are clinical history, prick-/scratch test, RAST, gastrointestinal provocation and abstinence test. The therapeutic program consists of allergen abstinence, avoiding all allergy-arousing factors, oral desensitizing and pharmaceutical treatment.

  3. Mathematical modeling and simulation in animal health - Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment. (United States)

    Lin, Z; Gehring, R; Mochel, J P; Lavé, T; Riviere, J E


    This review provides a tutorial for individuals interested in quantitative veterinary pharmacology and toxicology and offers a basis for establishing guidelines for physiologically based pharmacokinetic (PBPK) model development and application in veterinary medicine. This is important as the application of PBPK modeling in veterinary medicine has evolved over the past two decades. PBPK models can be used to predict drug tissue residues and withdrawal times in food-producing animals, to estimate chemical concentrations at the site of action and target organ toxicity to aid risk assessment of environmental contaminants and/or drugs in both domestic animals and wildlife, as well as to help design therapeutic regimens for veterinary drugs. This review provides a comprehensive summary of PBPK modeling principles, model development methodology, and the current applications in veterinary medicine, with a focus on predictions of drug tissue residues and withdrawal times in food-producing animals. The advantages and disadvantages of PBPK modeling compared to other pharmacokinetic modeling approaches (i.e., classical compartmental/noncompartmental modeling, nonlinear mixed-effects modeling, and interspecies allometric scaling) are further presented. The review finally discusses contemporary challenges and our perspectives on model documentation, evaluation criteria, quality improvement, and offers solutions to increase model acceptance and applications in veterinary pharmacology and toxicology.

  4. Simulation studies on metastable phase equilibria in the aqueous ternary systems (NaCI-MgCI2-H20) and (KCI-MgCI2-H20) at 308.15 K

    Institute of Scientific and Technical Information of China (English)

    Tianlong DENG; Baojun ZHANG; Dongchan LI; Yafei GUO


    The solubilities and densities of the aqueous metastable ternary systems (NaCl·MgCl2·H2O) and (KC1·MgCl2·H2O) at 308.15 K were determined by the isothermal evaporation method. On the basis of the experimental results, the phase diagrams for those systems were plotted. It was found that the former system belongs to the hydrate-I type with one invariant point of (NaCl + MgCl2·6H2O), two univariant curves, and two crystallization regions corresponding to halite (NaCl) and bischofite (MgCl2 · 6H2O); and the latter system belongs to the type of incongruent-double salts with two invariant points of (KC1+ KCl·MgCl2·6H2O) and (MgCl2·6H2O + KC1 ·MgCl2·6H2O), three univariant curves, and three crystallization regions corresponding to potassium chloride (KC1), carnallite (KC1·MgCl2 ·6H2O) and bischofite (MgCl2·6H2O). No solid solutions were found in both systems.

  5. 食品接触材料聚乙烯和聚丙烯中9种抗氧化剂在食品模拟物中的迁移规律研究%Research for Migration Rule of 9 Kinds of Antioxidants in Food Contact PE and PP Film to Food Simulants

    Institute of Scientific and Technical Information of China (English)

    郭春海; 陈瑞春; 马育松; 吕红英; 艾连峰


    在不同条件下,将含有已知量抗氧化剂的聚乙烯和聚丙烯薄膜,在水、乙酸(3g/L)、体积分数为10%,50%和95%的乙醇等5种食品模拟物中浸泡,在规定的时间点抽取一定量的浸泡液,采用超高效液相色谱法检测抗氧化剂含量,研究了迁移量及迁移率与时间、温度、模拟物属性、抗氧化剂初始浓度和聚丙烯材料的厚度等参数的关系。结果表日月l:食品模拟物的属性对抗氧化剂的迁移行为影响最大;迁移量和迁移率随温度的升高而增加;材料厚度增加,则抗氧化剂迁移量增加,而迁移率降低;薄膜中抗氧化剂初始浓度越高,则迁移量越大,迁移率越低。%Under different conditions, PE and PP films containing known amounts of antioxidants were soaked in 5 simulants of water, acetic acid (3 g/L), ethanol (volume fraction 10% ,50% ,95%), and olive oil, for certain time the soaking solution was analyzed by Ultra Performance Liquid Chromatography. The relationship of mlgration amount and migration rate with migration time, food simulant temperature, food simulant properties, initial concentration of antioxidants, and the thickness of packaging material was studied. The results showed that the nature of food simulant has prominence influence on migration hehavior; number of migrated antioxidant species, migration quantity and migration rate increases with temperature rising; migration quantity is higher and migration rate is lower for thicker film the higher initial antioxidant concentration the more migration quantity and the lower migration rate.

  6. Food Filter

    Institute of Scientific and Technical Information of China (English)



    A typical food-processing plant produces about 500,000 gallons of waste water daily. Laden with organic compounds, this water usually is evaporated or discharged into sewers.A better solution is to filter the water through

  7. "Convenience Food." (United States)

    Lemieux, Colette


    Defines the meaning of the American expression "convenience food," quoting definitions given by dictionaries and specialized publications. Discusses the problem of finding the exact equivalent of this expression in French, and recommends some acceptable translations. (MES)

  8. Food Allergy (United States)

    ... trigger severe reactions include monosodium glutamate (MSG), artificial sweeteners and food colorings. Histamine toxicity. Certain fish, such ... and which do you recommend? What are the alternatives to the primary approach that you're suggesting? ...

  9. Food Allergies (United States)

    ... not eat that food, but allergens can be hidden in surprising places, and without a doctor's diagnosis ... Privacy Policy & Terms of Use Visit the Nemours Web site. Note: All information on TeensHealth® is for ...

  10. Food poisoning (United States)

    ... and toxins may cause food poisoning, including: Campylobacter enteritis Cholera E. coli enteritis Toxins in spoiled or tainted fish or shellfish ... Read More Botulism Campylobacter infection Cholera E. coli enteritis Fish tapeworm infection Pericarditis Salmonella enterocolitis Shigellosis Patient ...

  11. Future food. (United States)

    Wahlqvist, Mark L


    Food systems have changed markedly with human settlement and agriculture, industrialisation, trade, migration and now the digital age. Throughout these transitions, there has been a progressive population explosion and net ecosystem loss and degradation. Climate change now gathers pace, exacerbated by ecological dysfunction. Our health status has been challenged by a developing people-environment mismatch. We have regarded ecological conquest and innovative technology as solutions, but have not understood how ecologically dependent and integrated we are. We are ecological creatures interfaced by our sensoriness, microbiomes, shared regulatory (endocrine) mechanisms, immune system, biorhythms and nutritional pathways. Many of us are 'nature-deprived'. We now suffer what might be termed ecological health disorders (EHD). If there were less of us, nature's resilience might cope, but more than 9 billion people by 2050 is probably an intolerable demand on the planet. Future food must increasingly take into account the pressures on ecosystem-dependent food systems, with foods probably less biodiverse, although eating in this way allows optimal health; energy dysequilibrium with less physical activity and foods inappropriately energy dense; and less socially-conducive food habits. 'Personalised Nutrition', with extensive and resource-demanding nutrigenomic, metabolomic and microbiomic data may provide partial health solutions in clinical settings, but not be justified for ethical, risk management or sustainability reasons in public health. The globally prevalent multidimensional malnutritional problems of food insecurity, quality and equity require local, regional and global action to prevent further ecosystem degradation as well as to educate, provide sustainable livelihoods and encourage respectful social discourse and practice about the role of food.

  12. Food extrusion. (United States)

    Harper, J M


    Extrusion processing has become an important food process in the manufacture of pasta, ready-to-eat cereals, snacks, pet foods, and textured vegetable protein (TVP). An extruder consists of tightly fitting screw rotating within a stationary barrel. Preground and conditioned ingredients enter the screw where they are conveyed, mixed, and heated by a variety of processes. The product exits the extruder through a die where it usually puffs and changes texture from the release of steam and normal forces. Mathematical models for extruder flow and torque have been found useful in describing exclusion operations. Scale-up can be facilitated by the application of these models. A variety of food extruder designs have developed. The differences and similarity of design are discussed. Pertinent literature on the extrusion of cereal/snack products, full-fat soy, TVP, pet foods (dry and semi-moist), pasta, and beverage or other food bases are discussed. In many of these applications, the extruder is a high temperature, short time process which minimizes losses in vitamins and amino acids. Color, flavor, and product shape and texture are also affected by the extrusion process. Extrusion has been widely applied in the production of nutritious foods. Emphasis is placed on the use of extrusion to denature antinutritional factors and the improvement of protein quality and digestibility.

  13. Method for recovering aroma concentrate from a caffeine- or theobromine-comprising food base material

    NARCIS (Netherlands)

    Kattenberg, H.R.; Willemsen, J.H.A.; Starmans, D.A.J.; Hoving, H.D.; Winters, M.G.M.


    Described is a method for recovering aroma concentrate from a caffeine- or theobromine-comprising food base material, such as coffee or tea, and in particular cocoa, at least comprising the steps of: introducing the food base material into an aqueous extractant and incubating the food base material

  14. Terahertz spectroscopy applied to food model systems

    DEFF Research Database (Denmark)

    Møller, Uffe

    Water plays a crucial role in the quality of food. Apart from the natural water content of a food product, the state of that water is very important. Water can be found integrated into the biological material or it can be added during production of the product. Currently it is difficult to differ...... to differentiate between these types of water in subsequent quality controls. This thesis describes terahertz time-domain spectroscopy applied on aqueous food model systems, with particular focus on ethanol-water mixtures and confined water pools in inverse micelles.......Water plays a crucial role in the quality of food. Apart from the natural water content of a food product, the state of that water is very important. Water can be found integrated into the biological material or it can be added during production of the product. Currently it is difficult...

  15. Food Engineering within Sciences of Food

    Directory of Open Access Journals (Sweden)

    Athanasios Kostaropoulos


    Full Text Available The aim of this paper is to clarify the identity of food engineering in sciences of food. A short historical description of the evolution of the branch in the Anglo Saxon and the Continental educational systems is given. Furthermore, the distinction of basic definitions such as food science, food science and technology, food technology, and food engineering is made. Finally, the objectives of food engineering within the branch of sciences of food are described.

  16. Food Engineering within Sciences of Food


    Athanasios Kostaropoulos


    The aim of this paper is to clarify the identity of food engineering in sciences of food. A short historical description of the evolution of the branch in the Anglo Saxon and the Continental educational systems is given. Furthermore, the distinction of basic definitions such as food science, food science and technology, food technology, and food engineering is made. Finally, the objectives of food engineering within the branch of sciences of food are described.


    Institute of Scientific and Technical Information of China (English)

    陈永福; 韩昕儒; 朱铁辉; 钱小平; 蔡鑫; 朱文博


    simulation showed that the gap of supply and demand balance of China′s grain and oilseed will continue to expand , the self -sufficiency rates will continue to decline , and the probability of expanding net imports of corn or its substitutes was very high .The corn demand restriction policy had a great influence on China′s food balance .To solve above problems , it was necessary to implement strategy in the following four aspects .First, the strategy should be shifted from the valuing food quantity safety to ensuring both domestic and foreign resources , such as signing food supply agreements among governments; second , the strategy should be shifted from paying attention to the overall food security to the staple food security , regional security , transport security ( or security channel ) , distribution channel security and food security of different household in-come groups;third, the strategy should be shifted from focusing on food security to a more comprehensive industrial safety and quality safety;Finally, the strategy should be shifted from domestic food security to a global perspective .

  18. Aqueous gel formation from sodium salts of cellobiose lipids. (United States)

    Imura, Tomohiro; Yamamoto, Shuhei; Yamashita, Chikako; Taira, Toshiaki; Minamikawa, Hiroyuki; Morita, Tomotake; Kitamoto, Dai


    Cellobiose lipids (CLs) are asymmetric bolaform biosurfactants, which are produced by Cryptococcus humicola JCM 10251 and have fungicidal activity. In this study, the sodium salts of CLs (CLNa) were prepared to improve aqueous solubility of the CLs, and their surface and gelation properties in aqueous solutions were examined by surface tension, rheology, and freeze-fracture transmission electron microscopy (FF-TEM) measurements. The surface tension measurements revealed that the CLNa have high surface activity: CMC1 and γCMC1 are 0.1 mg/mL and 34.7 mN/m, respectively. It was also found that the CLNa form giant micelles above their CMC, whose average size is 116.6 ± 31.9 nm. Unlike conventional surfactants, the surface tension reduced further with an increase in concentration and the aqueous solution became viscous at the minimum gelation concentration (MGC: 5.0 mg/mL). In rheological studies, the obtained gels proved to be rather soft and their sol-gel temperature was found to be approximately 50℃. FF-TEM observation of the gels showed 3D supramolecular structures with an entangled fibrous network. Since the present CLNa aqueous gels have a degree of fungicidal activity, they could be useful for novel multifunctional soft materials applicable to the food and cosmetic industries.

  19. Flexibility Study of a Liquid Food Production Process

    DEFF Research Database (Denmark)

    Cheng, Hongyuan; Friis, Alan


    Applying process engineering simulation method to model the processing of liquid food can provide a way to build a flexible food factory that can efficiently offer a wide range of tailored products in short delivery time. A milk production process, as an example, is simulated using a process...... engineering software to investigate the process operation conditions and flexibility. The established simulation method can be adapted to simulate similar liquid food production processes through suitable modifications....

  20. Aqueous Solutions of Ionic Liquids: Microscopic Assembly. (United States)

    Vicent-Luna, Jose Manuel; Dubbeldam, David; Gómez-Álvarez, Paula; Calero, Sofia


    Aqueous solutions of ionic liquids are of special interest, due to the distinctive properties of ionic liquids, in particular, their amphiphilic character. A better understanding of the structure-property relationships of such systems is hence desirable. One of the crucial molecular-level interactions that influences the macroscopic behavior is hydrogen bonding. In this work, we conduct molecular dynamics simulations to investigate the effects of ionic liquids on the hydrogen-bond network of water in dilute aqueous solutions of ionic liquids with various combinations of cations and anions. Calculations are performed for imidazolium-based cations with alkyl chains of different lengths and for a variety of anions, namely, [Br](-), [NO3](-), [SCN](-) [BF4](-), [PF6](-), and [Tf2N](-). The structure of water and the water-ionic liquid interactions involved in the formation of a heterogeneous network are analyzed by using radial distribution functions and hydrogen-bond statistics. To this end, we employ the geometric criterion of the hydrogen-bond definition and it is shown that the structure of water is sensitive to the amount of ionic liquid and to the anion type. In particular, [SCN](-) and [Tf2N](-) were found to be the most hydrophilic and hydrophobic anions, respectively. Conversely, the cation chain length did not influence the results.

  1. Non-Aqueous Capillary Electrophoresis (United States)

    Szumski, Michał; Buszewski, Bogusław

    Non-aqueous capillary electrophoresis and capillary electrochromatography are special variants of these techniques. Here, organic solvents or their mixtures with or without dissolved electrolytes are used as separation buffer or mobile phase, respectively. The most important features of non-aqueous systems are: better solubility of more hydrophobic ionic substances (many natural products) than in water, much less current and Joule heating allows for using highly concentrated buffers and/or larger capillary internal diameters, polar interactions are enhanced in organic solvents which is often highly advantageous in chiral separation systems. This chapter presents most frequently used solvents, their properties, as well as shows pH* scale which is often used in non-aqueous systems.

  2. Genetically engineered foods (United States)

    Bioengineered foods; GMOs; Genetically modified foods ... helps speed up the process of creating new foods with desired traits. The possible benefits of genetic engineering include: More nutritious food Tastier food Disease- and ...

  3. 食品级塑料内垫材料中增塑剂DEHP向食品模拟物的迁移特性研究%Research on Plasticizer DEHP Migration from Food-Grade Plastic Inner Materials into Food Simulants

    Institute of Scientific and Technical Information of China (English)

    谢利; 李霞; 张国柱; 王仕宝; 于江; 任鹏刚


    对食品级塑料内垫材料中增塑剂邻苯二甲酸二(2-乙基己基)酯(DEHP)在四种不同食品模拟物中,随温度、时间变化的迁移特性进行了研究.选用蒸馏水、20%乙醇、4%乙酸、异辛烷为四种食品模拟物,采用GC-FID方法对食品级塑料内垫材料在不同的浸泡液、不同温度和时间下进行了迁移实验.研究结果表明:DEHP的迁移率随浸泡温度的升高、浸泡时间的延长而增大;DEHP在模拟物中的迁移率范围分别为:0.19%~0.68%(蒸馏水)、0.36%~1.37%(20%乙醇)、12.5%~22.0%(异辛烷).DEHP迁移率从大到小的顺序为:异辛烷、20%乙醇、蒸馏水、4%乙酸.在异辛烷中DEHP的迁移量较大,迁移率最高值为22.0%;4%乙酸对DEHP的溶出作用最小,72个样品中,仅有6个样品检出DEHP,检出率为8.3%.%Migration of Di-2-ethylhexyl phthalate (DEHP) from food-grade plastic inner materials into four kinds of food simulant is studied with the changes in different temperature and times.By using distilled water, 20% ethanol, 4% acetic acid and isooctane as four kinds of food simulant, GC-FID method is used to test the migration rate of plasticizers DEHP in food-grade plastic materials within the pad soaked in different solvents, at different temperatures and different time.The results show that migration rate of DEHP increases with temperature rising and time prolonging; DEHP migration rate can range from 0.19% to 0.68% in distilled water, from0.36% to 1.37% in20% ethanol, from 12.5% to 22.0% in isooctane respectively.Migration rate of DEHP in food simulants are arranged in the following order: isooctane, 20% ethanol, distilled water, 4% acetic acid.Amount of DEHP migration in isooctane is large, and the maximum of migration rate is 22.0%; 4% acetic acid has had the least dissolution in DEHP, among 72 samples, only six samples are detected containing DEHP, the detection rate is 8.3%.

  4. Food labels

    DEFF Research Database (Denmark)

    Selsøe Sørensen, Henrik; Clement, Jesper; Gabrielsen, Gorm


    for the two consumer profiles. This underlines the complexity in choosing and designing the ‘right’ elements for a food package that consumers actually look at and are able to make rational use of. In spite of any regulation of food information provided by authorities, consumers will still be confronted...... with information which puzzles them. Given that the notion of being mislead must refer to information printed on the packaging and which has actually caught the given consumer's visual attention, this exploratory study intends to pave the way for using eyetracking tools to better understand the link between...... regulations, package information, and consumer understanding. Implications and further research are discussed....

  5. Flame retardants at the top of a simulated baltic marine food web--a case study concerning African penguins from the Gdansk Zoo. (United States)

    Reindl, Andrzej R; Falkowska, Lucyna


    The present study estimated hexabromocyclododecane (HBCD) as a sum of three main isomers (α, β, and γ) and tetrabromobisphenol A (TBBPA) in African penguins (Spheniscus demersus) from Gdansk Zoo and in their sole food, Baltic herring (Clupea harengus), from Gdansk Bay. The average concentration of HBCD in whole herring was 22.0 ± 9.9 ng/g lw, whereas TBBPA was approximately 10-fold lower (2.3 ± 1.3 ng/g lw). Brominated flame retardants (BFRs) were also found in muscle and liver of herring. The estimated daily dietary exposure of the penguins to HBCD was 252.9 ± 113.7 ng, whereas for TBBPA it was 26.3 ± 14.9 ng. The ability of BFRs to accumulate in the liver, muscles, fatty tissue, and brain of penguin was confirmed. The highest concentrations of HBCD (326.9 ng·g(-1) lw) and TBBPA (14.8 ng·g(-1) lw) were found in the brain of an adult penguin. The strongest accumulation factor for BFRs was also established for brain tissue, but it showed stronger magnification in muscle than in liver. HBCD and TBBPA were found in penguin guano and eggs, thus showing effective removal from the birds' systems. BFRs content in yolk was approximately ten times greater than in albumen indicating the lipophilic character of these compounds.

  6. Optimisation of an analytical method and results from the inter-laboratory comparison of the migration of regulated substances from food packaging into the new mandatory European Union simulant for dry foodstuffs. (United States)

    Jakubowska, Natalia; Beldì, Giorgia; Peychès Bach, Aurélie; Simoneau, Catherine


    This paper presents the outcome of the development, optimisation and validation at European Union level of an analytical method for using poly(2,6-diphenyl phenylene oxide--PPPO), which is stipulated in Regulation (EU) No. 10/2011, as food simulant E for testing specific migration from plastics into dry foodstuffs. Two methods for fortifying respectively PPPO and a low-density polyethylene (LDPE) film with surrogate substances that are relevant to food contact were developed. A protocol for cleaning the PPPO and an efficient analytical method were developed for the quantification of butylhydroxytoluene (BHT), benzophenone (BP), diisobutylphthalate (DiBP), bis(2-ethylhexyl) adipate (DEHA) and 1,2-cyclohexanedicarboxylic acid, diisononyl ester (DINCH) from PPPO. A protocol for a migration test from plastics using small migration cells was also developed. The method was validated by an inter-laboratory comparison (ILC) with 16 national reference laboratories for food contact materials in the European Union. This allowed for the first time data to be obtained on the precision and laboratory performance of both migration and quantification. The results showed that the validation ILC was successful even when taking into account the complexity of the exercise. The results showed that the method performance was 7-9% repeatability standard deviation (rSD) for most substances (regardless of concentration), with 12% rSD for the high level of BHT and for DiBP at very low levels. The reproducibility standard deviation results for the 16 European Union laboratories were in the range of 20-30% for the quantification from PPPO (for the three levels of concentrations of the five substances) and 15-40% from migration experiments from the fortified plastic at 60°C for 10 days and subsequent quantification. Considering the lack of data previously available in the literature, this work has demonstrated that the validation of a method is possible both for migration from a film and for

  7. Sorghum-cowpea composite porridge as a functional food, Part II: Antioxidant properties as affected by simulated in vitro gastrointestinal digestion. (United States)

    Apea-Bah, Franklin B; Minnaar, Amanda; Bester, Megan J; Duodu, Kwaku G


    The effect of compositing red non-tannin sorghum with brownish-cream cowpea and in vitro gastrointestinal digestion on total phenolic and flavonoid contents and antioxidant properties of a sorghum-cowpea composite porridge was studied. Maize-soybean composite porridge was used as a reference sample. Antioxidant properties were studied using radical scavenging activities against the 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid), peroxyl and NO radicals as well as inhibition of low density lipoprotein (LDL) oxidation and oxidative damage of vector DNA. Hydroperoxide content of the samples was also measured. All the samples demonstrated radical scavenging activity. Simulated duodenal digests of the porridges had hydroperoxides and therefore caused LDL oxidation. The undigested porridges and simulated gastric digests inhibited LDL oxidation. Compositing the cereals with legumes increased total phenolic and flavonoid contents and NO scavenging activity of their porridges. In vitro gastrointestinal digestion of the porridges increased their total phenolic and flavonoid contents, radical scavenging activities and LDL oxidation inhibitory activity.

  8. Evoked emotions predict food choice.

    Directory of Open Access Journals (Sweden)

    Jelle R Dalenberg

    Full Text Available In the current study we show that non-verbal food-evoked emotion scores significantly improve food choice prediction over merely liking scores. Previous research has shown that liking measures correlate with choice. However, liking is no strong predictor for food choice in real life environments. Therefore, the focus within recent studies shifted towards using emotion-profiling methods that successfully can discriminate between products that are equally liked. However, it is unclear how well scores from emotion-profiling methods predict actual food choice and/or consumption. To test this, we proposed to decompose emotion scores into valence and arousal scores using Principal Component Analysis (PCA and apply Multinomial Logit Models (MLM to estimate food choice using liking, valence, and arousal as possible predictors. For this analysis, we used an existing data set comprised of liking and food-evoked emotions scores from 123 participants, who rated 7 unlabeled breakfast drinks. Liking scores were measured using a 100-mm visual analogue scale, while food-evoked emotions were measured using 2 existing emotion-profiling methods: a verbal and a non-verbal method (EsSense Profile and PrEmo, respectively. After 7 days, participants were asked to choose 1 breakfast drink from the experiment to consume during breakfast in a simulated restaurant environment. Cross validation showed that we were able to correctly predict individualized food choice (1 out of 7 products for over 50% of the participants. This number increased to nearly 80% when looking at the top 2 candidates. Model comparisons showed that evoked emotions better predict food choice than perceived liking alone. However, the strongest predictive strength was achieved by the combination of evoked emotions and liking. Furthermore we showed that non-verbal food-evoked emotion scores more accurately predict food choice than verbal food-evoked emotions scores.

  9. Scary food

    DEFF Research Database (Denmark)

    Gyimóthy, Szilvia; Mykletun, Reidar Johan


    This article portrays the changing status and use of a traditional Norwegian meal, Smalahove, in designing tourist experiences. Against all odds, this peculiar relic of Nordic gastronomy (salted, smoked and cooked sheep's head) has become a part of the destination brand of Voss, a small West...... destinations and regional food products....

  10. Food Allergies

    Centers for Disease Control (CDC) Podcasts


    In this podcast for kids, the Kidtastics talk about the dangers of food allergies and the need to be aware if any friends or classmates have them.  Created: 4/23/2013 by Centers for Disease Control and Prevention (CDC).   Date Released: 4/23/2013.

  11. Food Entrepreneur

    DEFF Research Database (Denmark)

    Ramsgaard, Michael Breum; Christensen, Marie Ernst; Matzen, Peter


    The project investigates the learning outcome and the identity work going on at the course in a setting that provides opportunities to develop new activities, products and knowledge within the food and health industry. The study is based on qualitative interviews with five participants from...

  12. Food allergy--towards predictive testing for novel foods. (United States)

    Oehlschlager, S; Reece, P; Brown, A; Hughson, E; Hird, H; Chisholm, J; Atkinson, H; Meredith, C; Pumphrey, R; Wilson, P; Sunderland, J


    The risks associated with IgE-mediated food allergy highlight the need for methods to screen for potential food allergens. Clinical and immunological tests are available for the diagnosis of food allergy to known food allergens, but this does not extend to the evaluation, or prediction of allergenicity in novel foods. This category, includes foods produced using novel processes genetically modified (GM) foods, and foods that might be used as alternatives to traditional foods. Through the collation and analysis of the protein sequences of known allergens and their epitopes, it is possible to identify related groups which correlate with observed clinical cross-reactivities. 3-D modelling extends the use of sequence data and can be used to display eptiopes on the surface of a molecule. Experimental models support sequence analysis and 3-D modelling. Observed cross-reactivities can be examined by Western blots prepared from native 2-D gels of a whole food preparation (e.g. hazelnut, peanut), and common proteins identified. IgEs to novel proteins can be raised in Brown Norway rat (a high IgE responder strain) and the proteins tested in simulated digest to determine epitope stability. Using the CSL serum bank, epitope binding can be examined through the ability of an allergen to cross-link the high affinity IgE receptor and thereby release mediators using in vitro cell-based models. This range of methods, in combination with data mining, provides a variety of screening options for testing the potential of a novel food to be allergenic, which does not involve prior exposure to the consumer.

  13. Chemical reactions at aqueous interfaces (United States)

    Vecitis, Chad David


    Interfaces or phase boundaries are a unique chemical environment relative to individual gas, liquid, or solid phases. Interfacial reaction mechanisms and kinetics are often at variance with homogeneous chemistry due to mass transfer, molecular orientation, and catalytic effects. Aqueous interfaces are a common subject of environmental science and engineering research, and three environmentally relevant aqueous interfaces are investigated in this thesis: 1) fluorochemical sonochemistry (bubble-water), 2) aqueous aerosol ozonation (gas-water droplet), and 3) electrolytic hydrogen production and simultaneous organic oxidation (water-metal/semiconductor). Direct interfacial analysis under environmentally relevant conditions is difficult, since most surface-specific techniques require relatively `extreme' conditions. Thus, the experimental investigations here focus on the development of chemical reactors and analytical techniques for the completion of time/concentration-dependent measurements of reactants and their products. Kinetic modeling, estimations, and/or correlations were used to extract information on interfacially relevant processes. We found that interfacial chemistry was determined to be the rate-limiting step to a subsequent series of relatively fast homogeneous reactions, for example: 1) Pyrolytic cleavage of the ionic headgroup of perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) adsorbed to cavitating bubble-water interfaces during sonolysis was the rate-determining step in transformation to their inorganic constituents carbon monoxide, carbon dioxide, and fluoride; 2) ozone oxidation of aqueous iodide to hypoiodous acid at the aerosol-gas interface is the rate-determining step in the oxidation of bromide and chloride to dihalogens; 3) Electrolytic oxidation of anodic titanol surface groups is rate-limiting for the overall oxidation of organics by the dichloride radical. We also found chemistry unique to the interface, for example: 1

  14. Food Nanotechnology - Food Packaging Applications (United States)

    Astonishing growth in the market for nanofoods is predicted in the future, from the current market of $2.6 billion to $20.4 billion in 2010. The market for nanotechnology in food packaging alone is expected to reach $360 million in 2008. In large part, the impetus for this predicted growth is the ...

  15. Food Nanotechnology: Food Packaging Applications (United States)

    Astonishing growth in the market for nanofoods is predicted in the future, from the current market of $2.6 billion to $20.4 billion in 2010. The market for nanotechnology in food packaging alone is expected to reach $360 million in 2008. In large part the impetus for this predicted growth is the e...

  16. Food Allergies: Understanding Food Labels (United States)

    ... it until you check with your doctor. Although gluten intolerance is different from a food allergy, it can cause serious health problems in people who have celiac disease, a chronic digestive disorder. Gluten is a protein that occurs in grains such ...

  17. Carbon dioxide removal by alkanolamines in aqueous organic solvents. A method for enhancing the desorption process

    NARCIS (Netherlands)

    Hamborg, Espen S.; Derks, Peter W.J.; Elk, Edwin P. van; Versteeg, Geert F.


    Process concepts of using alkanolamines in aqueous organic solvents have been evaluated by experimental work and process simulations using the Procede Process Simulator. N-methyldiethanolamine (MDEA), methanol, and ethanol were chosen as the respective alkanolamine and organic compounds in the curre

  18. 仿真食物模型在糖尿病患者饮食教育中的应用%Application of Food Simulation Model in Diet Education for Diabetes Patients

    Institute of Scientific and Technical Information of China (English)

    王丽; 施冠华; 金娟; 郭贝清; 朱俊; 韩梦雨


    目的 探讨运用仿真食物模型对糖尿病(Diabetes mellitus,DM)患者进行饮食教育(Diabetes health eduea-tion,DHE)的效果.方法 将符合条件的已确诊的206例住院糖尿病患者随机分为实验组(103例)和对照组(103例).对照组在住院期间给予常规的饮食教育和出院指导,实验组采用常规方法 加仿真食物模型进行相同内容的教育,通过饮食知识测试及空腹血糖(Fasting plasma glucose,FPG)、早餐后2小时血糖(Postprandial two-hour blood glucose,PBG)、糖化血红蛋白(Hemoglobin Alc,HbAlc)、甘油三酯(Triglyceride,TG)、胆固醇(Total cholesterol,TC)、体重指数(Body mass in-dex,BMI)监测观察教育效果.结果 两组患者教育前后各种监测指标均有下降,试验组明显优于对照组且差异有统计学意义(P<0.05);糖尿病饮食知识测试得分分别为35~87分(平均65分)、78~94分(平均90分),差异有统计学意义(P<0.01).结论 利用仿真食物模型对糖尿病患者进行饮食教育有利于患者掌握饮食控制的原则和方法 ,达到更好地控制糖尿病的目的 .%Objective To explore the effect of application of the food simulation model for diet education in diabetes patients.Methods A total of 206 diabetes patients were randomly divided into experimental group given food simulation model as the pattern of diet education and control group given traditional health education ,while all cases were carried out diabetic diet education on same content. Then effects of health education of were observed by testing related diet knowledge and measuring their fasting plasma glucose ( FBG), postprandial two-hour blood glucose ( PBG ), glycosylated hemoglobin ( HbA1c ), Triglyceride ( TG ), total cholesterol(TC) ,body mass index(BMI). Results All related monitoring indexes were decreased in both groups after diet education, but the drops in the experimental group were larger than those in control group ( P < 0.05 ). The score of related

  19. Liposomal nanocapsules in food science and agriculture. (United States)

    Taylor, T Matthew; Davidson, P Michael; Bruce, Barry D; Weiss, Jochen


    Liposomes, spherical bilayer vesicles from dispersion of polar lipids in aqueous solvents, have been widely studied for their ability to act as drug delivery vehicles by shielding reactive or sensitive compounds prior to release. Liposome entrapment has been shown to stabilize encapsulated, bioactive materials against a range of environmental and chemical changes, including enzymatic and chemical modification, as well as buffering against extreme pH, temperature, and ionic strength changes. Liposomes have been especially useful to researchers in studies of various physiological processes as models of biological membranes in both eukaryotes and prokaryotes. Industrial applications include encapsulation of pharmaceuticals and therapeutics, cosmetics, anti-cancer and gene therapy drugs. In the food industry, liposomes have been used to deliver food flavors and nutrients and more recently have been investigated for their ability to incorporate food antimicrobials that could aid in the protection of food products against growth of spoilage and pathogenic microorganisms. In this review we briefly introduce key physicochemical properties of liposomes and review competing methods for liposome production. A survey of non-agricultural and food applications of liposomes are given. Finally, a detailed up-to-date summary of the emerging usage of liposomes in the food industry as delivery vehicles of nutrients, nutraceuticals, food additives, and food antimicrobials is provided.

  20. Income distribution trends and future food demand. (United States)

    Cirera, Xavier; Masset, Edoardo


    This paper surveys the theoretical literature on the relationship between income distribution and food demand, and identifies main gaps of current food modelling techniques that affect the accuracy of food demand projections. At the heart of the relationship between income distribution and food demand is Engel's law. Engel's law establishes that as income increases, households' demand for food increases less than proportionally. A consequence of this law is that the particular shape of the distribution of income across individuals and countries affects the rate of growth of food demand. Our review of the literature suggests that existing models of food demand fail to incorporate the required Engel flexibility when (i) aggregating different food budget shares among households; and (ii) changing budget shares as income grows. We perform simple simulations to predict growth in food demand under alternative income distribution scenarios taking into account nonlinearity of food demand. Results suggest that (i) distributional effects are to be expected from changes in between-countries inequality, rather than within-country inequality; and (ii) simulations of an optimistic and a pessimistic scenario of income inequality suggest that world food demand in 2050 would be 2.7 per cent higher and 5.4 per cent lower than distributional-neutral growth, respectively.

  1. Aqueous mercury adsorption by activated carbons. (United States)

    Hadi, Pejman; To, Ming-Ho; Hui, Chi-Wai; Lin, Carol Sze Ki; McKay, Gordon


    Due to serious public health threats resulting from mercury pollution and its rapid distribution in our food chain through the contamination of water bodies, stringent regulations have been enacted on mercury-laden wastewater discharge. Activated carbons have been widely used in the removal of mercuric ions from aqueous effluents. The surface and textural characteristics of activated carbons are the two decisive factors in their efficiency in mercury removal from wastewater. Herein, the structural properties and binding affinity of mercuric ions from effluents have been presented. Also, specific attention has been directed to the effect of sulfur-containing functional moieties on enhancing the mercury adsorption. It has been demonstrated that surface area, pore size, pore size distribution and surface functional groups should collectively be taken into consideration in designing the optimal mercury removal process. Moreover, the mercury adsorption mechanism has been addressed using equilibrium adsorption isotherm, thermodynamic and kinetic studies. Further recommendations have been proposed with the aim of increasing the mercury removal efficiency using carbon activation processes with lower energy input, while achieving similar or even higher efficiencies.

  2. Volatile release from aqueous solutions under dynamic headspace dilution conditions. (United States)

    Marin, M; Baek, I; Taylor, A J


    Static equilibrium was established between the gas phase (headspace) and an unstirred aqueous phase in a sealed vessel. The headspace was then diluted with air to mimic the situation when a container of food is opened and the volatiles are diluted by the surrounding air. Because this first volatile signal can influence overall flavor perception, the parameters controlling volatile release under these conditions are of interest. A mechanistic model was developed and validated experimentally. Release of compounds depended on the air-water partition coefficient (K(aw)) and the mass transport in both phases. For compounds with K(aw) values 10(-)(3), mass transport in the gas phase became significant and the Reynolds number played a role. Because release from packaged foods occurs at low Reynolds numbers, whereas most experiments are conducted at medium to high Reynolds numbers, the experimentally defined profile may not reflect the real situation.

  3. Norovirus: Food Handlers (United States)

    ... National Institutes of Health NoroCORE Food Virology For Food Workers Language: English Español (Spanish) Recommend on Facebook ... trabajadores del sector alimentario Norovirus and Working With Food CDC Vital Signs Report Preventing Norovirus Outbreaks, Food ...

  4. Functional food acceptance in the food chain

    DEFF Research Database (Denmark)

    Krutulyte, Rasa

    that food ingredient suppliers' marketing efforts are one of the key influential factors for developing functional foods. Food manufacturers prefer long-term relationships with suppliers and they see suppliers' competencies in R&D as a bridge to consumer acceptance. Last but not least, results revealed......This thesis analyses consumer acceptance of functional foods and food manufacturers' decision to develop functional foods. The thesis sets up four key research questions: (1) How consumers accept functional foods enriched with omega-3? (2) How the intention of purchasing carrier ingredient...... combinations is explained by general attitudes to functional foods, consumers' health concerns, and the perceived fit of a particular carrier ingredient combination? (3) How food manufacturers decide to develop functional foods? (4) What are the determinants and drivers of food manufacturers' decision...

  5. The effects of television advertisements for junk food versus nutritious food on children's food attitudes and preferences. (United States)

    Dixon, Helen G; Scully, Maree L; Wakefield, Melanie A; White, Victoria M; Crawford, David A


    Television (TV) food advertising has attracted criticism for its potential role in promoting unhealthy dietary practices among children. Content analyses indicate junk food advertising is prevalent on Australian children's TV; healthy eating is rarely promoted. This paper presents (a) a cross-sectional survey examining associations between children's regular TV viewing habits and their food-related attitudes and behaviour; and (b) an experiment assessing the impact of varying combinations of TV advertisements (ads) for unhealthy and healthy foods on children's dietary knowledge, attitudes and intentions. The experimental conditions simulated possible models for regulating food ads on children's TV. Participants were 919 grade five and six students from schools in Melbourne, Australia. The survey showed that heavier TV use and more frequent commercial TV viewing were independently associated with more positive attitudes toward junk food; heavier TV use was also independently associated with higher reported junk food consumption. The experiment found that ads for nutritious foods promote selected positive attitudes and beliefs concerning these foods. Findings are discussed in light of methodological issues in media effects research and their implications for policy and practice. It is concluded that changing the food advertising environment on children's TV to one where nutritious foods are promoted and junk foods are relatively unrepresented would help to normalize and reinforce healthy eating.

  6. Biocompatible sodium alginate fibers by aqueous processing and physical crosslinking. (United States)

    Shen, Wei; Hsieh, You-Lo


    Sodium alginate (SA) hybrid fibers have been robustly fabricated by electrospinning of aqueous mixtures containing as high as 60% SA in the presence of polyvinyl alcohol (PVA). Solution viscosities of SA, PVA and their mixtures showed fiber spinning to be strongly influenced by the balance between SA-PVA and PVA-PVA intermolecular polar interaction and SA-SA repulsion. Low viscosity SAl (50 mPas at 1%) enabled higher SA loadings without significantly increasing mixture viscosities, producing more cylindrical fibers. All aqueous mixtures containing 33.3-60% SAl (5.68-7.15% total SAl-PVA) had viscosities ranging from 530 to 3600 mPas and could be electrospun continuously for at least 48 h. The SA-PVA hybrid fibers had diameters ranging from ca. 140 to 350 nm and were rendered stable in water via simultaneous ionic-crosslinking SA and crystallization of PVA (5% CaCl2 in 75% EtOH for 30 min). This aqueous electrospinning and physical crosslinking approach is a green and highly efficient alternative to create alginate hybrid fibers that are biologically compatible and ingestible for potential biomedical, food and other applications.

  7. Saffron (Crocus sativus) aqueous extract and its constituent crocin reduces stress-induced anorexia in mice. (United States)

    Halataei, Bahar-al-Sadat; Khosravi, Maryam; Arbabian, Sedigheh; Sahraei, Hedayat; Golmanesh, Leila; Zardooz, Homeira; Jalili, Cyrus; Ghoshooni, Hassan


    In the present study, the effects of an ethanol and aqueous extract of saffron Crocus sativus and its constituents safranal and crocin on the stress-induced reduction in food intake, weight gain and anorexic time in mice were investigated. Male albino mice (20-25 g) were irregularly exposed to a trial of electroshock stress for 7 days. Then, the anorexic time as well as the animal's food intake and weight were recorded. In addition, blood samples were obtained on days 1 and 7 for corticosterone determination. Intraperitoneal (i.p.) administration of the aqueous but not the ethanol extract (10, 50 and 100 mg/kg) significantly reduced the anorexic time. The results were similar for crocin (1, 5 and 10 mg/kg; i.p.). In addition, a reduction in weight gain was observed in the controls as well as in the groups that received alcohol extract or safranal. However, this was not observed in animals treated with aqueous extract or crocin. The plasma corticosterone level did not increase in the aqueous extract and crocin treated animals. It can be concluded that the saffron aqueous extract and its constituent crocin reduce side effects of electroshock stress in mice.

  8. Multiscale Simulations of Carbon Nanotubes and Liquids (United States)

    Koumoutsakos, Petros


    We present molecular dynamics and hybrid continuum/atomistic simulations of carbon nanotubes in liquid environments with an emphasis on aqueous solutions. We emphasize computational issues such as interaction potentials and coupling techniques and their influence on the simulated physics. We present results from simulations of water flows inside and outside doped and pure carbon nanotubes and discuss their implications for experimental studies.

  9. Fast Foods, Organic Foods, Fad Diets (United States)

    There is no standard definition of fast food. Generally, fast food is eaten without cutlery, and fast-food restaurants have no wait staff. Failure to have a standardized definition makes it difficult to compare studies. Foods available outside the home tend to be high in energy and fat compared w...

  10. Keeping Food Alive: Surplus Food Management


    Sedef Sert; Paola Garrone; Marco Melacini


    This paper is motivated by the paradoxical reality of food waste in a world of food insecurity, which is an important issue even for developed countries. Today, in Europe,nearly 43.6 million people are estimated to be food insecure, while European countries are reported to generate 179 kg per capita of food waste every year. Previous empirical studies highlight the potential of surplus food management, i.e. managerial processes and practices that strike a balance between social, environmental...

  11. Cooling and Freezing Behaviors of Aqueous Sodium Chloride Solution in a Closed Rectangular Container (United States)

    Narumi, Akira; Kashiwagi, Takao; Nakane, Ichirou

    This paper investigates cooling and freezing behaviors of NaCl aqueous solution in a rectangular container equipped with horizontal partitions of micro porous film in order to determine the mechanisms of heat and mass transfer through cell wall for the purpose of freezing food. For comparison, experiments were performed using partitions of copper plate, no partition, and water. These processes were visualized and measured using real-time laser holographic interferometry. It was found that there was very little difference in the cooling process due to partitions, but that there were significant differences in freezing process when NaCl aqueous solution is used.

  12. 食物交换份法联合仿真食物模型在糖尿病患者饮食教育中的应用%The application of food exchange method combined with simulated food model in the diet education in patients with diabetes mellitus

    Institute of Scientific and Technical Information of China (English)



    目的:探讨食物交换份法联合仿真食物模型在糖尿病患者饮食教育中的应用效果。方法纳入100例于2013年6月至2014年12在我院接受糖尿病教育的2型糖尿病患者,并将其随机均等分为对照组和观察组各50例,对照组按传统健康教育方式进行,观察组在传统健康教育的基础上以仿真食物模型为教具,联合食物交换份法,利用多媒体集体授课、食物模型演示、个别指导及专家咨询,为患者的不同需求提供信息支持。比较患者在受教育前和接受教育后两组患者间的体重、血压、血脂、血糖等的变化情况。结果两组患者在接受教育后血甘油三脂、空腹血糖、餐后2h血糖和糖化血红蛋白均有下降,且均具有统计学意义(P<0.05),而实验组的空腹血糖、餐后2 h血糖和糖化血红蛋白下降幅度均比对照组大,差异有统计学意义(P<0.05)。结论与传统的教育方式相比,食物交换份法联合仿真食物模型的教育形式,结合了理论和实践,避免理论知识的灌输,注重培训对饮食控制的具体操作技能,让患者有较多的体验和实践机会,更容易被患者理解、接受和应用于实际饮食,能够有效地改善患者的糖脂代谢。%Objective To investigate the application effect of food exchange method combined with simulated food model in the diet education in patients with diabetes mellitus .Methods A total of 100 cases of diabetes mellitus patients , who received diabetes education in our hospital from June 2013 to December 2014,were drawn into the study .And they were randomly divided into control group and experimental group , with 50 patients in each group .Control group was educated by traditional way .The observation group was educated by using food simulation model combined with food exchange method on the basis of the traditional health education , by using multimedia for collective

  13. Modeling of coupled heat and solute transfers during the freezing by immersion of food products; Modelisation des transferts couples de chaleur et de solute lors de la congelation par immersion de produits alimentaires

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, T. [Cemagref, Unite de Recherche Technologie des Equipements Agro-alimentaires, 35 - Rennes (France); Chourot, J.M.; Favier, C. [Cemagref, Unite de Recherche Genie des Procedes Frigorifiques, 92 - Antony (France); Flick, D. [Cemaref-ENSIA-INAPG-INRA, INA-PG, UMR Genie Industriel Alimentaire, 75 - Paris (France)


    This work gives a better understanding and a better control of the mechanisms involved in the coupled heat and mass transfers that take place simultaneously inside a (food) product in contact with a refrigerating aqueous solution (of brine type). Two models of heat and mass transfers inside porous materials have been developed. One has been solved numerically and the other analytically. Despite different levels of simplification of the phenomena, the simulations provided by these two models show similar mechanisms, like the rather fast progression of a freezing front and simultaneously the rather slow progression of a front of solute impregnation which leads to the surface unfreezing of the product. (J.S.)

  14. Cook & Chill - Rapid Chilling of Food 'in situ'

    DEFF Research Database (Denmark)

    Paul, Joachim


    Rapid cooling of products is of increasing importance for food preservation and for industrial processes. Slurry ice (Binary Ice) is a two-phase cooling fluid consisting of suspended ice crystals in an aqueous solution or mixture. Latent energy contained in the fluid yields rapid cooling which is...

  15. Oxidative Stability and Shelf Life of Food Emulsions

    DEFF Research Database (Denmark)

    Jacobsen, Charlotte


    Lipid oxidation and antioxidant effects in food emulsions are influenced by many different factors, such as the composition of the aqueous phase and interface, the partitioning of the antioxidants between the different phases of the emulsion system, the antioxidant properties, and others. This ch...

  16. Photochemical Studies on Aqueous Carboplatin

    Institute of Scientific and Technical Information of China (English)

    刘伟平; 杨懿昆; 阙振寰; 熊惠周


    The photochemical products,quantum yields and mechanisms of aqueous Carboplatin havebeen studied at 313 and 254 nm irradiation.Excitation in the ligand field bands 1A1→1A2 and 1A1→1E leads tosubstitution reactions,giving diaquodiammineplatinum and tetraaquoplatinum.And then these complexesundergo thermally hydrolysis and polymerization producing polymeric hydroxo-bridged complexes.Oxygen isnot involved in the reactions.Excitation in the charge-transfer band 1A1→1A2u results in redox reaction.Metallic platinum and diaquodiammineplatinum are formed,respectively,in the absence and the presence ofoxygen.

  17. Interfacial forces in aqueous media

    CERN Document Server

    van Oss, Carel J


    Thoroughly revised and reorganized, the second edition of Interfacial Forces in Aqueous Media examines the role of polar interfacial and noncovalent interactions among biological and nonbiological macromolecules as well as biopolymers, particles, surfaces, cells, and both polar and apolar polymers. The book encompasses Lifshitz-van der Waals and electrical double layer interactions, as well as Lewis acid-base interactions between colloidal entities in polar liquids such as water. New in this Edition: Four previously unpublished chapters comprising a new section on interfacial propertie

  18. Use of pulse radiolysis for the study of the chemistry of aqueous ozone and ozonide solutions

    DEFF Research Database (Denmark)

    Sehested, Knud; Holcman, Jerzy; Bjergbakke, Erling


    The chemistry of aqeous ozone, O3, and ozonide, O3−, is of great interest from a technological, environmental and scientific point of view. The literature about their aqueous chemistry is extensive, the reaction mechanisms are still not well understood. The ozonide anion is a free radical...... of a detailed mechanism. We have investigated the reaction mechanisms using pulse radiolysis in combination with a high pressure cell, rapid mixing and numerical simulation of the experiments. This study makes it possible to give a detailed description of the reaction mechanisms in terms of uni- and bimolecular...... reactions and provides kinetic data sufficient for computer simulations of aqueous O3/O3− chemistry....

  19. Phytochemical profiles and antimicrobial activity of aromatic Malaysian herb extracts against food-borne pathogenic and food spoilage microorganisms. (United States)

    Aziman, Nurain; Abdullah, Noriham; Noor, Zainon Mohd; Kamarudin, Wan Saidatul Syida Wan; Zulkifli, Khairusy Syakirah


    Preliminary phytochemical and flavonoid compounds of aqueous and ethanolic extracts of 6 aromatic Malaysian herbs were screened and quantified using Reverse-Phase High Performance Liquid Chromatography (RP-HPLC). The herbal extracts were tested for their antimicrobial activity against 10 food-borne pathogenic and food spoilage microorganisms using disk diffusion assay. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC)/minimum fungicidal concentration (MFC) of herbal extracts were determined. In the phytochemical screening process, both aqueous and ethanolic extracts of P. hydropiper exhibited presence of all 7 tested phytochemical compounds. Among all herbal extracts, the aqueous P. hydropiper and E. elatior extracts demonstrated the highest antibacterial activity against 7 tested Gram-positive and Gram-negative bacteria with diameter ranging from 7.0 to 18.5 mm and 6.5 to 19 mm, respectively. The MIC values for aqueous and ethanolic extracts ranged from 18.75 to 175 mg/mL and 0.391 to 200 mg/mL, respectively while the MBC/MFC values for aqueous and ethanolic extracts ranged from 25 to 200 mg/mL and 3.125 to 50 mg/mL, respectively. Major types of bioactive compounds in aqueous P. hydropiper and E. elatior extracts were identified using RP-HPLC instrument. Flavonoids found in these plants were epi-catechin, quercetin, and kaempferol. The ability of aqueous Persicaria hydropiper (L.) H. Gross and Etlingera elatior (Jack) R.M. Sm. extracts to inhibit the growth of bacteria is an indication of its broad spectrum antimicrobial potential. Hence these herbal extracts may be used as natural preservative to improve the safety and shelf-life of food and pharmaceutical products.

  20. Reliable liquid chromatography-mass spectrometry method for investigation of primary aromatic amines migration from food packaging and during industrial curing of multilayer plastic laminates. (United States)

    Lambertini, Francesca; Di Lallo, Valentina; Catellani, Dante; Mattarozzi, Monica; Careri, Maria; Suman, Michele


    Primary aromatic amines (PAAs) can migrate from packaging into food from different sources such as polyurethanic adhesives used for the manufacture of multilayer films, which may contain residual aromatic isocyanates, or recycled paperboard, because of the presence of azo dyes in the printed paper massively used in the recycling process. In the present work, a reliable analytical method, exploiting a conventional high-performance liquid chromatography-(selected ion monitoring)-mass spectrometry system, for PAAs compliance assessment in food contact materials was developed as an effective alternative to the current standard spectrophotometric one, moving in this way from the screening to the accurate and selective quantitation perspective for the analysis of PAAs both in aqueous and acidic food simulants. The main validation parameters were verified achieving very satisfactory results in terms of linearity range, limit of detection (ranging from 0.1 to 1.0 µg kg(-1)) and quantitation (ranging from 0.1 to 3.6 µg kg(-1)), repeatability and accuracy. Suitability of the method was demonstrated for a wide range of commercial samples, chosen among different producers of the most common used food packaging plastic and paperboard categories and then analyzed to assess the risk related to PAAs migration. Finally, the method was also successfully exploited to monitor the evolution of potential PAAs migration during the industrial curing process of multilayer plastic laminates, prior to their release for delivery to the food industry end user.

  1. Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions. (United States)

    Brown, Matthew A; D'Auria, Raffaella; Kuo, I-F William; Krisch, Maria J; Starr, David E; Bluhm, Hendrik; Tobias, Douglas J; Hemminger, John C


    X-Ray photoemission spectroscopy operating under ambient pressure conditions is used to probe ion distributions throughout the interfacial region of a free-flowing aqueous liquid micro-jet of 6 M potassium fluoride. Varying the energy of the ejected photoelectrons by carrying out experiments as a function of X-ray wavelength measures the composition of the aqueous-vapor interfacial region at various depths. The F(-) to K(+) atomic ratio is equal to unity throughout the interfacial region to a depth of 2 nm. The experimental ion profiles are compared with the results of a classical molecular dynamics simulation of a 6 M aqueous KF solution employing polarizable potentials. The experimental results are in qualitative agreement with the simulations when integrated over an exponentially decaying probe depth characteristic of an APPES experiment. First principles molecular dynamics simulations have been used to calculate the potential of mean force for moving a fluoride anion across the air-water interface. The results show that the fluoride anion is repelled from the interface, consistent with the depletion of F(-) at the interface revealed by the APPES experiment and polarizable force field-based molecular dynamics simulation. Together, the APPES and MD simulation data provide a detailed description of the aqueous-vapor interface of alkali fluoride systems. This work offers the first direct observation of the ion distribution at an aqueous potassium fluoride solution interface. The current experimental results are compared to those previously obtained for saturated solutions of KBr and KI to underscore the strong difference in surface propensity between soft/large and hard/small halide ions in aqueous solution.

  2. Effectiveness of Nutrition Education on Fast Food Choices in Adolescents (United States)

    Allen, Kelly N.; Taylor, Julie Smith; Kuiper, RuthAnne


    Adolescent obesity has become a major health concern in the United States. An increased frequency of fast food restaurant dining is associated with higher intake of calories and calories from fat. The purpose of this study was to gain insight as to how food choices in a "simulated" fast food environment might be influenced by nutrition…

  3. Food Process Engineering

    DEFF Research Database (Denmark)

    Friis, Alan; Jensen, Bo Boye Busk; Risum, Jørgen

    to calculate the requirements of heat processing. Our goal is to put food engineering into a production context. Other courses teach food chemistry, food microbiology and food technology. Topics of great importance and all have to be seen in a broader context of producing good and safe food in a large scale...

  4. Protective Mechanisms of S. lycopersicum Aqueous Fraction (Nucleosides and Flavonoids on Platelet Activation and Thrombus Formation: In Vitro, Ex Vivo and In Vivo Studies

    Directory of Open Access Journals (Sweden)

    Eduardo Fuentes


    Full Text Available The purpose of this research was to investigate mechanisms of antiplatelet action of bioactive principle from S. lycopersicum. Aqueous fraction had a high content of nucleosides (adenosine, guanosine, and adenosine 5′-monophosphate by HPLC analysis. Also aqueous fraction presented flavonoids content. Aqueous fraction inhibited platelet activation by 15 ± 6% (P<0.05. Fully spread of human platelets on collagen in the presence of aqueous fraction was inhibited from 15 ± 1 to 9 ± 1 μm2 (P<0.001. After incubation of whole blood with aqueous fraction, the platelet coverage was inhibited by 55 ± 12% (P<0.001. Platelet ATP secretion and aggregation were significantly inhibited by the aqueous fraction. At the same concentrations that aqueous fraction inhibits platelet aggregation, levels of sCD40L significantly decreased and the intraplatelet cAMP levels increased. In addition, SQ22536, an adenylate cyclase inhibitor, attenuated the effect of aqueous fraction toward ADP-induced platelet aggregation and intraplatelet level of cAMP. Platelet aggregation ex vivo (human study and thrombosis formation in vivo (murine model were inhibited by aqueous fraction. Finally, aqueous fraction may be used as a functional ingredient adding antiplatelet activities (nucleosides and flavonoids to processed foods.

  5. Eating Healthy Ethnic Food (United States)

    ... We Can! ) Health Professional Resources Tipsheet: Eating Healthy Ethnic Food Trying different ethnic cuisines to give yourself a ... of different choices, take a taste adventure with ethnic foods. Here's a sample of healthy food choices (lower ...

  6. Electrotechnologies to process foods (United States)

    Electrical energy is being used to process foods. In conventional food processing plants, electricity drives mechanical devices and controls the degree of process. In recent years, several processing technologies are being developed to process foods directly with electricity. Electrotechnologies use...

  7. Freezing and Food Safety (United States)

    ... and Food Safety What Can You Freeze? Is Frozen Food Safe? Does Freezing Destroy Bacteria & Parasites? Freshness & Quality ... Temperatures Freezer Storage Time Safe Thawing Refreezing Cooking Frozen Foods Power Outage in Freezer Frozen Cans Frozen Eggs ...

  8. New food policy

    DEFF Research Database (Denmark)

    Christensen, Tove; Andersen, Lill

    a need for restablishing public confidence in its food supply, its food science, its laws and its food control. In addition, the White Paper on Food Safety points towards a farm to fork policy in that 'as the food production chain is becoming increasingly complex, the health of consumers can ony......The urbanisation, technical changes, and the industrialisation of the food systems on one hand and increased income and changes in lifestyles on the other hand transform the way food is produced, marketed and consumed - those changes call for changes in the nature of food policy. Concerns over food...... safety have become an important driver of reform of food policy. In particular, the BSE crisis in 1996 had a significant impact on the formulation of a change in food safety policy in the EU. The White Paper on Food Safety was prepared by the EU commision as a response to the BSE scandal as the EU felt...

  9. Arsenic in Food (United States)

    ... Vaccines, Blood & Biologics Animal & Veterinary Cosmetics Tobacco Products Food Home Food Foodborne Illness & Contaminants Metals Arsenic Share ... of the Method used to Measure Arsenic in Foods Inductively Coupled Plasma-Mass Spectrometric Determination of Arsenic, ...

  10. Aqueous supercapacitors on conductive cotton

    KAUST Repository

    Pasta, Mauro


    Wearable electronics offer the combined advantages of both electronics and fabrics. In this article, we report the fabrication of wearable supercapacitors using cotton fabric as an essential component. Carbon nanotubes are conformally coated onto the cotton fibers, leading to a highly electrically conductive interconnecting network. The porous carbon nanotube coating functions as both active material and current collector in the supercapacitor. Aqueous lithium sulfate is used as the electrolyte in the devices, because it presents no safety concerns for human use. The supercapacitor shows high specific capacitance (~70-80 F·g-1 at 0.1 A·g-1) and cycling stability (negligible decay after 35,000 cycles). The extremely simple design and fabrication process make it applicable for providing power in practical electronic devices. © 2010 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

  11. 27 CFR 21.96 - Ammonia, aqueous. (United States)


    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Ammonia, aqueous. 21.96 Section 21.96 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT... Ammonia, aqueous. (a) Alkalinity. Strongly alkaline to litmus. (b) Ammonia content. 27 to 30 percent...

  12. Food safety aspects on ethnic foods

    NARCIS (Netherlands)

    Fusco, Vincenzina; Besten, den H.M.W.; Logrieco, Antonio F.; Rodriguez, Fernando Perez; Skandamis, Panagiotis N.; Stessl, Beatrix; Teixeira, Paula


    Ethnic foods are becoming popular worldwide. Nevertheless, foodborne outbreaks and food recalls due to the contamination of these foods with pathogenic agents, toxins, undeclared allergens and hazardous chemical compounds are increasing in recent years together with their growing popularity. In t

  13. Thermal-lensing measurement of particle thermophoresis in aqueous dispersions (United States)

    Rusconi, Roberto; Isa, Lucio; Piazza, Roberto


    We show that thermophoresis (particle drift driven by thermal gradients) in aqueous solutions can be measured by using an all-optical thermal-lensing setup, where a temperature gradient is set by a near-infrared laser beam with no need of light-absorbing dyes. After discussing the principles of the method, we study by numerical simulation the nature and extent of parasitic thermal-convection effects, and we describe an optical setup designed to limit them. We finally present preliminary results on thermophoresis in micellar solutions and colloidal dispersions.

  14. Food allergy: an overview.


    Kagan, Rhoda Sheryl


    Food allergy affects between 5% and 7.5% of children and between 1% and 2% of adults. The greater prevalence of food allergy in children reflects both the increased predisposition of children to develop food allergies and the development of immunologic tolerance to certain foods over time. Immunoglobulin (Ig) E-mediated food allergies can be classified as those that persist indefinitely and those that are predominantly transient. Although there is overlap between the two groups, certain foods...

  15. Food Groups Recipes



    15 pages In 2011, My Plate replaced the Food Pyramid as a visual representation for the USDA Dietary Guidelines. This publication, a group of recipes based on this new division of food groups, reflects the effort of the USDA and other groups to translate science-based research into everyday practice for Americans. Fifteen recipes (3 from each food group) show ways to use foods from each food group. They are complete with basic nutritional analyses and food group amounts.

  16. On the nature of the molecular ordering of water in aqueous DMSO mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Perera, Aurélien; Mazighi, Redha [Laboratoire de Physique Théorique de la Matière Condensée (UMR CNRS 7600), Université Pierre et Marie Curie, 4 Place Jussieu, F75252 Paris Cedex 05 (France)


    Computer simulation studies of aqueous dimethyl sulfoxyde (DMSO) mixtures show micro-heterogeneous structures, just like aqueous alcohol mixtures. However, there is a marked difference in the aggregate structure of water between the two types of systems. While water molecules form multiconnected globular clusters in alcohols, we report herein that the typical water aggregates in aqueous DMSO mixtures are linear, favouring a 2 hydrogen bond structure per water molecule, and for all DMSO mole fractions ranging from 0.1 to 0.9. This linear-aggregate structure produces a particular signature in the water site-site structure factors, in the form of a pre-peak at k ≈ 0.2–0.8 Å{sup −1}, depending on DMSO concentration. This pre-peak is either absent in other aqueous mixtures, such as aqueous methanol mixtures, or very difficult to see through computer simulations, such as in aqueous-t-butanol mixtures. This difference in the topology of the aggregates explains why the Kirkwood-Buff integrals of aqueous-DMSO mixture look nearly ideal, in contrast with those of aqueous alcohol mixtures, suggesting a connection between the shape of the water aggregates, its fluctuations, and the concentration fluctuations. In order to further study this discrepancy between aqueous DMSO and aqueous alcohol mixture, two models of pseudo-DMSO are introduced, where the size of the sulfur atom is increased by a factor 1.6 and 1.7, respectively, hence increasing the hydrophobicity of the molecule. The study shows that these mixtures become closer to the emulsion type seen in aqueous alcohol mixtures, with more globular clustering of the water molecules, long range domain oscillations in the water-water correlations and increased water-water Kirkwood-Buff integrals. It demonstrates that the local ordering of the water molecules is influenced by the nature of the solute molecules, with very different consequences for structural properties and related thermodynamic quantities. This study

  17. Metal separations using aqueous biphasic partitioning systems

    Energy Technology Data Exchange (ETDEWEB)

    Chaiko, D.J.; Zaslavsky, B.; Rollins, A.N.; Vojta, Y.; Gartelmann, J.; Mego, W. [Argonne National Lab., IL (United States). Chemical Technology Div.


    Aqueous biphasic extraction (ABE) processes offer the potential for low-cost, highly selective separations. This countercurrent extraction technique involves selective partitioning of either dissolved solutes or ultrafine particulates between two immiscible aqueous phases. The extraction systems that the authors have studied are generated by combining an aqueous salt solution with an aqueous polymer solution. They have examined a wide range of applications for ABE, including the treatment of solid and liquid nuclear wastes, decontamination of soils, and processing of mineral ores. They have also conducted fundamental studies of solution microstructure using small angle neutron scattering (SANS). In this report they review the physicochemical fundamentals of aqueous biphase formation and discuss the development and scaleup of ABE processes for environmental remediation.

  18. Materials Applications for Non-Lethal: Aqueous Foams

    Energy Technology Data Exchange (ETDEWEB)



    High expansion aqueous foam is an aggregation of bubbles that has the appearance of soap suds and is used to isolate individuals both visually and acoustically. It was developed in the 1920's in England to fight coal mine fires and has been widely used since for fire fighting and dust suppression. It was developed at Sandia National Laboratories (SNL) in the 1970's for nuclear safeguards and security applications. In the mid-1990s, the National Institute of Justice (NIJ), the research arm of the Department of Justice, began a project with SNL to determine the applicability of high expansion aqueous foam for correctional applications. NIJ funded the project as part of its search for new and better less-than-lethal weapons for responding to violent and dangerous individuals, where other means of force could lead to serious injuries. The phase one objectives of the project were to select a low-to-no toxicity foam concentrate (foaming agent) with physical characteristics suited for use in a single cell or large prison disturbances, and to determine if the selected foam concentrate could serve as a carrier for Oleoresin Capsicum (OC) irritant. The phase two objectives were to conduct an extensive toxicology review of the selected foam concentrate and OC irritant, and to conduct respiration simulation experiments in the selected high expansion aqueous foam. The phase three objectives were to build a prototype individual cell aqueous foam system and to study the feasibility of aqueous foams for large prison facility disturbances. The phase four and five objectives were to use the prototype system to do large scale foam physical characteristics testing of the selected foam concentrate, and to have the prototype single cell system further evaluated by correctional representatives. Prison rather than street scenarios were evaluated as the first and most likely place for using the aqueous foam since prisons have recurrent incidents where officers and inmates might

  19. 环境因素对供应链中生产者食品安全行为的影响机制仿真分析%Simulation on influence mechanism of environmental factors to producers' food security behavior in supply chain

    Institute of Scientific and Technical Information of China (English)

    陈原; 陈康裕; 李杨


    The analysis of social and economic environment in which food supply chain locates has a practical significance. In this paper the environmental factors which affect food safety were summarized through an all-around review to academic literatures, especially the factors which affect producers' behavior of food security. The impact of environmental factors on food safety in supply chain was mainly reflected by the choice of producers' food safety behavior. Therefore, influence mechanism of environmental factors to food safety in supply chain was designed here. To analyze the influence of environment factors on the safety of food supply chain, some crucial environment factors based on the influence mechanism of environmental factors to producer's food security behavior in supply chain were selected, such as consumers' willing to pay for food security, producers' market share, and the amount of penalty. Taking fruit and vegetable supply chain as an example, a multi-agent simulation model of selection for food safety strategies made by supermarkets and farm fairs was established. By using Netlog, the multi-agent simulations were operated. Through simulation, the following conclusions were drawn; (1) the current food supervision measures are needed to be specified further; (2) improvement on the technical factors can help to upgrade Chinese food security level effectively.%通过食品安全环境因素的改善和规范,来提高食品安全效果是具有现实意义的.本文归纳了影响食品安全的环境因素,特别是影响生产者食品安全行为的环境因素;环境因素对供应链食品安全的影响主要体现在生产者食品安全行为的选择上,为此,设计了环境因素对供应链生产者食品安全行为影响机制;为了分析环境因素对供应链中生产者食品安全的影响,从生产者食品安全行为的影响机制中选取了消费者食品安全意愿、生产者市场古有率、罚款金额等环境因素,以

  20. Food allergy: an overview. (United States)

    Kagan, Rhoda Sheryl


    Food allergy affects between 5% and 7.5% of children and between 1% and 2% of adults. The greater prevalence of food allergy in children reflects both the increased predisposition of children to develop food allergies and the development of immunologic tolerance to certain foods over time. Immunoglobulin (Ig) E-mediated food allergies can be classified as those that persist indefinitely and those that are predominantly transient. Although there is overlap between the two groups, certain foods are more likely than others to be tolerated in late childhood and adulthood. The diagnosis of food allergy rests with the detection of food-specific IgE in the context of a convincing history of type I hypersensitivity-mediated symptoms after ingestion of the suspected food or by eliciting IgE-mediated symptoms after controlled administration of the suspected food. Presently, the only available treatment of food allergies is dietary vigilance and administration of self-injectable epinephrine.

  1. Removal of trihalomethanes from aqueous solution through armchair carbon nanotubes: a molecular dynamics study. (United States)

    Azamat, Jafar; Khataee, Alireza; Joo, Sang Woo; Yin, Binfeng


    Molecular dynamics simulations were performed to investigate the removal of trihalomethanes (THMs) including CH3Cl, CH2Cl2 and CHCl3 from aqueous solutions by armchair carbon nanotubes (CNTs) under induced pressure. The studied system involved the armchair CNTs embedded between two graphene sheets with an aqueous solution of THMs in the simulation box. An external pressure was applied to the system along the z-axis of the simulation box. Six types of armchair CNTs with different diameter were used in this work, included (4,4), (5,5), (6,6), (7,7), (8,8) and (9,9) CNTs. The results of molecular dynamics simulation display that the armchair CNTs behave differently relative to THMs and water molecules. The permeation of THMs and water molecules through the armchair CNTs was dependent on the diameter of CNTs and the applied pressure.

  2. Incorporation of a Cationic Conjugated Polyelectrolyte CPE within an Aqueous Poly(vinyl alcohol) Sol

    DEFF Research Database (Denmark)

    Knaapila, Matti; Stewart, Beverly; Costa, Telma


    We report on a multiscale polymer-within-polymer structure of the cationic conjugated polyelectrolyte poly{[9,9-bis(6-N,N,N-trimethylammonium)hexyl]fluorene phenylene} (HTMAPFP) in aqueous poly(vinyl alcohol).(PVA) sol. Molecular dynamics simulations and small-angle neutron scattering (SANS) data...

  3. Organic peroxide and OH formation in aerosol and cloud water: laboratory evidence for this aqueous chemistry

    Directory of Open Access Journals (Sweden)

    Y. B. Lim


    Full Text Available Aqueous chemistry in atmospheric waters (e.g., cloud droplets or wet aerosols is well accepted as an atmospheric pathway to produce secondary organic aerosol (SOAaq. Water-soluble organic compounds with small carbon numbers (C2-C3 are precursors for SOAaq and products include organic acids, organic sulfates, and high molecular weight compounds/oligomers. Fenton reactions and the uptake of gas-phase OH radicals are considered to be the major oxidant sources for aqueous organic chemistry. However, the sources and availability of oxidants in atmospheric waters are not well understood. The degree to which OH is produced in the aqueous phase affects the balance of radical and non-radical aqueous chemistry, the properties of the resulting aerosol, and likely its atmospheric behavior. This paper demonstrates organic peroxide formation during aqueous photooxidation of methylglyoxal using ultra high resolution Fourier Transform Ion Cyclotron Resonance electrospray ionization mass spectrometry (FTICR-MS. Organic peroxides are known to form through gas-phase oxidation of volatile organic compounds. They contribute secondary organic aerosol (SOA formation directly by forming peroxyhemiacetals, and epoxides, and indirectly by enhancing gas-phase oxidation through OH recycling. We provide simulation results of organic peroxide/peroxyhemiacetal formation in clouds and wet aerosols and discuss organic peroxides as a source of condensed-phase OH radicals and as a contributor to aqueous SOA.

  4. Probing regenerative potential of Moringa oleifera aqueous extracts using In vitro cellular assays

    Directory of Open Access Journals (Sweden)

    Evangeline E Fernandes


    Full Text Available Background: Molecules stimulating regeneration and proliferation of cells are of significance in combating ailments caused due to tissue injury, inflammation, and degenerative disorders. Moringa oleifera is one of the most valued food plants having the profile of important nutrients and impressive range of medicinal uses. Objective: To evaluate the potential of M. oleifera aqueous leaf and flower extracts to promote the proliferation of cells and explore their effect on cancer cell lines for assessment of safety. Materials and Methods: Aqueous leaf and flower extracts of M. oleifera were investigated for effect on rat-derived primary fibroblast, mesenchymal stem cells (MSCs, and cancer cell lines using cell proliferation assay. They were also tested and compared for wound healing, angiogenesis, and hepatoprotective effect using in vitro assays. Results: Statistically significant increase in the proliferation of primary rat fibroblast, MSCs, and angiogenesis was observed after treatment with aqueous flower extract. The aqueous leaf extract determined a comparatively moderate increment in the proliferation of MSCs and angiogenesis. It however showed prominent cytotoxicity to cancer cell lines and a significant hepatoprotective effect. Conclusion: A very clear difference in response of the two extracts to different types of cells was detected in this study. The aqueous flower extract exhibited a higher potential to stimulate cell proliferation while not exerting the same effect on cancer cell lines. The leaf extract on the other hand, had a prominent antitumor and hepatoptotective effects.

  5. Study of Different Food Simulants on Phthalate Esters Leaching from Plastics Tableware%塑料餐饮具中酞酸酯向不同食品模拟物迁移效果研究

    Institute of Scientific and Technical Information of China (English)

    林野; 方志青


    Study on the migration at different time and temperatures of phthalate esters from isooctane ,ethanol (volume fraction 10 %),acetic acid (volume fraction 3 %),water with disposable plastic cup and bowl.The results showed that the linear correlation coefficients were higher than 0.997 ,within the concentrations of 0.05 μg/mL-8.0μg/mL. The detection limits for the analysis were 0.02μg/mL-0.05μg/mL.The recovery rate was 86%-102%,with RSD less than 1.4%,and the mingration quantity of 16 kinds of phthalate esters increases with time increasing and temperature rising in 4 different food simulants .%为了解塑料餐饮具中邻苯二甲酸种类化合物向食品中的迁移规律,以一次性塑料水杯、碗为主要研究对象,以异辛烷、10%(体积分数)的乙醇、3%(体积分数)的乙酸和水为食品物模拟物,对塑料制品中16种邻苯二甲酸酯类的浸出量随时间和温度的变化规律进行研究。结果表明:16种邻苯二甲酸酯在4种食品模拟物中浸出量由高到低依次为异辛烷、10%的乙醇、3%的乙酸和水,且16种邻苯二甲酸酯在4中不同模拟物中迁移量随时间的增加和温度的升高而变大。

  6. Mars Aqueous Chemistry Experiment (MACE) (United States)

    Benton, Clark C. (Editor)


    The concept of an aqueous-based chemical analyzer for Martian surface materials has been demonstrated to be feasible. During the processes of analysis, design, breadboarding, and most importantly, testing, it has become quite apparent that there are many challenges in implementing such a system. Nonetheless, excellent progress has been made and a number of problems which arose have been solved. The ability to conduct this work under a development environment which is separate and which precedes the project-level development has allowed us to find solutions to these implementation realities at low cost. If the instrument had been selected for a mission without this laboratory pre-project work, the costs of implementation would be much higher. In the four areas covered in Sections D, E, F, and G of this Final Report, outstanding progress has been made. There still remains the task of flight-qualifying certain of the components. This is traditionally done under the aegis of a Flight Project, but just as the concept development can be done at much lower cost when kept small and focused, so could the qualification program of critical parts benefit. We recommend, therefore, that NASA consider means of such qualifications and brass-boarding, in advance of final flight development. This is a generic recommendation, but hardware such as the Mars aqueous chemistry experiment (MACE) and other similarly-new concepts are particularly applicable. MACE now has wide versatility, in being able to reliably dispense both liquids and solids as chemical reagents to an entire suite of samples. The hardware and the experiment is much simpler than was developed for the Viking Biology instrument, yet can accomplish all the inorganic chemical measurements that the Viking desing was capable of. In addition, it is much more flexible and versatile to new experiment protocols (and reagents) than the Viking design ever could have been. MACE opens up the opportunity for many different scientific

  7. Toxicological studies of aqueous extract of Acacia nilotica root

    Directory of Open Access Journals (Sweden)

    Alli Lukman Adewale


    Full Text Available Acacia nilotica is a widely used plant in traditional medical practice in Northern Nigeria and many African countries. The aim of this study was to determine the toxicological effects of a single dose (acute and of repeated doses (sub-acute administration of aqueous extract of A. nilotica root in rodents, following our earlier study on antiplasmodial activity. In the acute toxicity test, three groups of Swiss albino mice were orally administered aqueous extract of A. nilotica (50, 300 and 2000 mg/kg body weight and signs of toxicity were observed daily for 14 days. In the sub-acute toxicity study, four groups of 12 rats (6 male and 6 female were used. Group 1 received 10 ml/kg b.w distilled water (control, while groups 2, 3 and 4 received 125, 250 and 500 mg/kg b.w of the extract, respectively, for 28 consecutive days by oral gavage. Signs of toxicity/mortality, food and water intake and body weight changes were observed. Biochemical parameters were analysed in both plasma and liver homogenate. In the acute and sub-acute toxicity studies, the extract did not cause mortality. A significant reduction in the activity of lactate dehydrogenase was observed at 250 and 500 mg/kg b.w, while alanine aminotransferase, aspartate aminotransferase and alkaline phosphatase activities were significantly higher than control values at 500 mg/kg b.w. The aqueous extract of A. nilotica was found to be safe in single dose administration in mice but repeated administration of doses higher than 250 mg/kg b.w of the extract for 28 days in rats may cause hepatotoxicity.

  8. Lubrication, adsorption, and rheology of aqueous polysaccharide solutions. (United States)

    Stokes, Jason R; Macakova, Lubica; Chojnicka-Paszun, Agnieszka; de Kruif, Cornelis G; de Jongh, Harmen H J


    Aqueous lubrication is currently at the forefront of tribological research due to the desire to learn and potentially mimic how nature lubricates biotribological contacts. We focus here on understanding the lubrication properties of naturally occurring polysaccharides in aqueous solution using a combination of tribology, adsorption, and rheology. The polysaccharides include pectin, xanthan gum, gellan, and locus bean gum that are all widely used in food and nonfood applications. They form rheologically complex fluids in aqueous solution that are both shear thinning and elastic, and their normal stress differences at high shear rates are found to be characteristic of semiflexible/rigid molecules. Lubrication is studied using a ball-on-disk tribometer with hydrophobic elastomer surfaces, mimicking biotribological contacts, and the friction coefficient is measured as a function of speed across the boundary, mixed, and hydrodynamic lubrication regimes. The hydrodynamic regime, where the friction coefficient increases with increasing lubricant entrainment speed, is found to depend on the viscosity of the polysaccharide solutions at shear rates of around 10(4) s(-1). The boundary regime, which occurs at the lowest entrainment speeds, depends on the adsorption of polymer to the substrate. In this regime, the friction coefficient for a rough substrate (400 nm rms roughness) is dependent on the dry mass of polymer adsorbed to the surface (obtained from surface plasmon resonance), while for a smooth substrate (10 nm rms roughness) the friction coefficient is strongly dependent on the hydrated wet mass of adsorbed polymer (obtained from quartz crystal microbalance, QCM-D). The mixed regime is dependent on both the adsorbed film properties and lubricant's viscosity at high shear rates. In addition, the entrainment speed where the friction coefficient is a minimum, which corresponds to the transition between the hydrodynamic and mixed regime, correlates linearly with the ratio

  9. Structure, hydrolysis and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics

    CERN Document Server

    Jiang, Zhen; Alexandrov, Vitaly


    A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries (RFB). Here, we employ Car-Parrinello molecular dynamics (CPMD) simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction and diffusion of aqueous V$^{2+}$, V$^{3+}$, VO$^{2+}$, and VO$_2^+$ ions at 300 K. The results indicate that the first hydration shell of both V$^{2+}$ and V$^{3+}$ contains six water molecules, while VO$^{2+}$ is coordinated to five and VO$_2^+$ to three water ligands. The first acidity constants (p$K_\\mathrm{a}$) estimated using metadynamics simulations are 2.47, 3.06 and 5.38 for aqueous V$^{3+}$, VO$_2^+$ and VO$^{2+}$, respectively, while V$^{2+}$ is predicted to be a fairly weak acid in aqueous solution with a p$K_\\mathrm{a}$ value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO$_2^+$ ion has a...

  10. Prevention of Food Poisoning. (United States)

    Army Quartermaster School, Ft. Lee, VA.

    The programed text provides a single lesson, four-hour, correspondence subcourse on the prevention of food poisoning. It covers the following areas: a definition of food poisoning; chemical food poisoning; biological food poisoning; causes and prevention of trichinosis; six factors controlling bacteria growth; bacterial infection; prevention of…

  11. Presenting Food Science Effectively (United States)

    Winter, Carl K.


    While the need to present food science information effectively is viewed as a critical competency for food scientists by the Institute of Food Technologists, most food scientists may not receive adequate training in this area. Effective presentations combine both scientific content and delivery mechanisms that demonstrate presenter enthusiasm for…

  12. Moralizing Food Technology

    DEFF Research Database (Denmark)

    Coff, Christian Eyde


    Food technologies are common on many levels in society and used by both food professionals and consumers. Food technologies are not neutral. They inform and shape the behaviour of people. This paper presents a theoretical framework for analysing the mediating role of food technology and its influ...

  13. Food for tourists

    DEFF Research Database (Denmark)

    Hjalager, Anne-Mette; Corigliano, Magda Antolioli

    , and the power of the agricultural and food processing industries has in many cases severely compromised the quality image. In Italy, on the other hand, food policies and traditions, which give a high priority to freshness, allow consumers to stay in control of food quality to a much larger extent than......Eating is a physical necessity, but catering services and food image are also very important ingredients of cultural tourism. Food and tourism are increasingly being combined, e.g. in agri-tourism, wine tours and the sale of food products as souvenirs. However, as this paper illustrates......, the development and standards of food for tourists are determined not by tourism policies, but by national economic, agricultural and food policies. A comparison between Denmark and Italy illustrates core elements in food cultures. Particularly in Denmark, food production is a major economic activity...

  14. Understanding the sustainability of retail food recovery. (United States)

    Phillips, Caleb; Hoenigman, Rhonda; Higbee, Becky; Reed, Tom


    In this paper we study the simultaneous problems of food waste and hunger in the context of food (waste) rescue and redistribution as a means for mitigating hunger. To this end, we develop an empirical model that can be used in Monte Carlo simulations to study the dynamics of the underlying problem. Our model's parameters are derived from a data set provided by a large food bank and food rescue organization in north central Colorado. We find that food supply is a non-parametric heavy-tailed process that is well modeled with an extreme value peaks over threshold model. Although the underlying process is stochastic, the basic approach of food rescue and redistribution to meet hunger demand appears to be feasible. The ultimate sustainability of this model is intimately tied to the rate at which food expires and hence the ability to preserve and quickly transport and redistribute food. The cost of the redistribution is related to the number and density of participating suppliers. The results show that costs can be reduced (and supply increased) simply by recruiting additional donors to participate. With sufficient funding and manpower, a significant amount of food can be rescued from the waste stream and used to feed the hungry.

  15. Defining local food

    DEFF Research Database (Denmark)

    Eriksen, Safania Normann


    Despite evolving local food research, there is no consistent definition of “local food.” Various understandings are utilized, which have resulted in a diverse landscape of meaning. The main purpose of this paper is to examine how researchers within the local food systems literature define local...... food, and how these definitions can be used as a starting point to identify a new taxonomy of local food based on three domains of proximity....

  16. Food spoilage - interactions between food spoilage bacteria

    DEFF Research Database (Denmark)

    Gram, Lone; Flodgaard, Lars; Rasch, Maria


    Food spoilage is a complex process and excessive amounts of foods are lost due to microbial spoilage even with modem day preservation techniques. Despite the heterogeneity in raw materials and processing conditions, the microflora that develops during storage and in spoiling foods can be predicted...... based on knowledge of the origin of the food, the substrate base and a few central preservation parameters such as temperature, atmosphere, a(w) and pH. Based on such knowledge, more detailed sensory, chemical and microbiological analysis can be carried out on the individual products to determine......-regulation of phenotypes potentially involved in spoilage through cell-to-cell communication. In particular, we report for the first time the widespread occurrence of N-acyl homoserine lactones (AHL) in stored and spoiling fresh foods and we discuss the potential implications for spoilage and food preservation....

  17. Food safety information and food demand

    DEFF Research Database (Denmark)

    Smed, Sinne; Jensen, Jørgen Dejgård


    Purpose – The purpose of this paper is to analyze how news about food-related health risks affects consumers’ demands for safe food products. Design/methodology/approach – By identifying structural breaks in an econometrically estimated demand model, news with permanent impact on demand...... induces a permanent increase in the demand for pasteurized eggs, while more moderate negative news influences demand temporarily and to a lesser extent. There is, however, considerable variation in the response to food safety news across socio-demographic groups of consumers. Research limitations....../implications – The study has focused on the demand for raw eggs. Responses to food safety news may differ across foods. Furthermore, the study abstracts from possible cross-effects of safety news concerning other foods. Practical implications – The findings may be utilized for optimization of the timing and targeting...

  18. Structure, hydrolysis, and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics (United States)

    Jiang, Zhen; Klyukin, Konstantin; Alexandrov, Vitaly


    A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries. Here, we employ Car-Parrinello molecular dynamics simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction, and diffusion of aqueous V2+, V3+, VO2+, and VO 2+ ions at 300 K. The results indicate that the first hydration shell of both V2+ and V3+ contains six water molecules, while VO2+ is coordinated to five and VO 2+ to three water ligands. The first acidity constants (pKa) estimated using metadynamics simulations are 2.47, 3.06, and 5.38 for aqueous V3+, VO 2+ , and VO2+, respectively, while V2+ is predicted to be a fairly weak acid in aqueous solution with a pKa value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO 2+ ion has a significant impact on water hydrolysis leading to a much higher pKa value of 4.8. This should result in a lower propensity of aqueous VO 2+ for oxide precipitation reaction in agreement with experimental observations for chloride-based electrolyte solutions. The computed diffusion coefficients of vanadium species in water at room temperature are found to increase as V 3 + < VO 2 + < V O 2 + < V 2 + and thus correlate with the simulated hydrolysis constants, namely, the higher the pKa value, the greater the diffusion coefficient.

  19. Management of Food Allergy

    Directory of Open Access Journals (Sweden)

    Sh Maleknejad


    Full Text Available Although food allergy is a major public health problem, currently there is no effective and safe treatment except to avoid the foods .But the need for new options is critical now as the number of children diagnosed with food allergies rises. Avoiding the offending allergen in the diet is the primary treatment of food allergy. Once a food to which the patient is sensitive has been identified, the food must be removed from the diet. People with severe food allergies must be prepared to treat an anaphylactic reaction. These individuals also always should carry a syringe of adrenaline (epinephrine [EpiPen], and be prepared to self-administer it if they think they are developing an allergic reaction. Several medications are available for treating the other symptoms of food allergy. For example, antihistamines can relieve gastrointestinal symptoms, hives, sneezing, and a runny nose. Bronchodilators can relieve the symptoms of asthma. They are not effective, however, in preventing an allergic reaction when taken prior to eating the food. In fact, no medication in any form is available to reliably prevent an allergic reaction to a certain food before eating that food.Novel therapeutic approaches to food allergy can be classified as food allergen-specific therapy(immunotherapy with native or modified recombinant allergens, or oral desensitization or food allergen-nonspecifictherapy (anti-IgE, traditional Chinese medicine.   Key Words: Children, Food Allergy, Management.  

  20. Allelopathic Potential of Cucumber Tissues Aqueous Extracts

    Institute of Scientific and Technical Information of China (English)

    DONG Lin-lin; HAO Zhi-peng; ZUO Yuan-mei; LI Xiao-lin; WANG Qian


    [ Objective] The aim of this study was to explore allelopathic effects of the water-extracted crude of cucumber plant parts on seed germination and seedling growth of lettuce ( Lactuca sativa L. ), cabbage ( Brassica pekinensis L. ), radish ( Raphanus sativus L. ) and scallion ( Allium fistulosum L. ). [ Method] The allelopathic effects of different cucumber tissues aqueous extracts were investigated on lettuce, cabbage,radish and scallion using the water-soluble allelopathic principle by seedling bioassay tests. [ Result] The trends of inhibitory effects of different cucumber parts increased with increasing extract concentrations. The inhibition effects and the inhibition rate of three aqueous extracts were more significant on root growth than shoot length. Leaf aqueous extracts represented the most exhibited and root aqueous extracts representing the least inhibitory on seed germination, shoot length and root length of lettuce, cabbage, radish and scallion. [Conclusion] This study had provided basis for allelopathic character of different cucumber plant parts.

  1. Calorimetric studies of macromolecular aqueous solutions

    NARCIS (Netherlands)

    Blandamer, M.J; Cullis, P.M.; Engberts, J.B.F.N.


    Both titration and differential scanning microcalorimetric techniques are shown to yield important information concerning the properties of macromolecules in aqueous solution. Application of titration calorimetry is examined in me context of deaggregation of canonic micelles (e.g. hexadecyltrimethyl

  2. Thermal coupling at aqueous and biomolecular interfaces (United States)

    Shenogina, Natalia B.

    Heat flow in the materials with nanoscopic features is dominated by thermal properties of the interfaces. While thermal properties of the solid-solid and solid-liquid interfaces are well studied, research of the thermal transport properties across soft (liquid-liquid) interfaces is very limited. Such interfaces are, however, plentiful in biological systems. In such systems the temperature control is of a great importance, because biochemical reactions, conformation of biomolecules as well as processes in biological cells and membranes have strong temperature sensitivity. The critical ingredient to temperature control in biological systems is the understanding of heat flow and thermal coupling across soft interfaces. To investigate heat transfer across biological and aqueous interfaces we chose to study a number of soft interfacial systems by means of molecular dynamic simulations. One of the interfaces under our investigation is the interface between protein (specifically green fluorescent protein) and water. Using this model we concentrated on the importance of vibrational frequency on coupling between water and proteins, and on significant differences between the roles of low and high frequency vibrations. Our thermal interfacial analysis allowed us to shed new light on to the issue of protein to water slaving, i.e., the concept of water controlling protein dynamics. Considering that the surface of the protein is composed of a complicated mixture of the hydrophobic and hydrophilic domains, to systematically explore the role of interfacial interactions we studied less complicated models with homogenous interfaces whith interfacial chemistry that could be changed in a controlled manner. We demonstrated that thermal transport measurements can be used to probe interfacial environments and to quantify interfacial bonding strength. Such ability provides a unique opportunity to characterize a variety of interfaces, which can be difficult to achieve with more direct

  3. Terahertz absorption of dilute aqueous solutions. (United States)

    Heyden, Matthias; Tobias, Douglas J; Matyushov, Dmitry V


    Absorption of terahertz (THz) radiation by aqueous solutions of large solutes reports on the polarization response of their hydration shells. This is because the dipolar relaxation of the solute is dynamically frozen at these frequencies, and most of the solute-induced absorption changes, apart from the expulsion of water, are caused by interfacial water. We propose a model expressing the dipolar response of solutions in terms of a single parameter, the interface dipole moment induced in the interfacial water by electromagnetic radiation. We apply this concept to experimental THz absorption of hydrated sugars, amino acids, and proteins. None of the solutes studied here follow the expectations of dielectric theories, which predict a negative projection of the interface dipole on the external electric field. We find that this prediction is not able to describe the available experimental data, which instead suggests a nearly zero interface dipole for sugars and a more diverse pattern for amino acids. Hydrophobic amino acids, similarly to sugars, give rise to near zero interface dipoles, while strongly hydrophilic ones are best described by a positive projection of the interface dipole on the external field. The sign of the interface dipole is connected to the slope of the absorption coefficient with the solute concentration. A positive slope, implying an increase in the solution polarity relative to water, mirrors results frequently reported for protein solutions. We therefore use molecular dynamics simulations of hydrated glucose and lambda repressor protein to calculate the interface dipole moments of these solutes and the concentration dependence of the THz absorption. The absorption at THz frequencies increases with increasing solute concentration in both cases, implying a higher polarity of the solution compared to bulk water. The structure of the hydration layer, extracted from simulations, is qualitatively similar in both cases, with spatial correlations

  4. Precipitation of neptunium dioxide from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, K E


    Tens of thousands of metric tons of highly radioactive, nuclear waste have been generated in the US. Currently, there is no treatment or disposal facility for these wastes. Of the radioactive elements in high-level nuclear waste, neptunium (Np) is of particular concern because it has a long half-life and may potentially be very mobile in groundwaters associated with a proposed underground disposal site at Yucca Mountain, Nevada. Aqueous Np concentrations observed in previous, short-term solubility experiments led to calculated potential doses exceeding proposed long-term regulatory limits. However, thermodynamic data for Np at 25 C showed that these observed aqueous Np concentrations were supersaturated with respect to crystalline NpO{sub 2}. It was hypothesized that NpO{sub 2} is the thermodynamically stable solid phase in aqueous solution, but it is slow to form in an aqueous solution of NpO{sub 2}{sup +} on the time scale of previous experiments. The precipitation of NpO{sub 2} would provide significantly lower aqueous Np concentrations leading to calculated doses below proposed regulatory limits. To test this hypothesis, solubility experiments were performed at elevated temperature to accelerate any slow precipitation kinetics. Ionic NpO{sub 2}{sup +} (aq) was introduced into very dilute aqueous solutions of NaCl with initial pH values ranging from 6 to 10. The reaction vessels were placed in an oven and allowed to react at 200 C until steady-state aqueous Np concentrations were observed. In all cases, aqueous Np concentrations decreased significantly from the initial value of 10{sup {minus}4} M. The solids that formed were analyzed by x-ray powder diffraction, x-ray absorption spectroscopy, and scanning electron microscopy. The solids were determined to be high-purity crystals of NpO{sub 2}. This is the first time that crystalline NpO{sub 2} has been observed to precipitate from NpO{sub 2}{sup +}(aq) in near-neutral aqueous solutions. The results obtained

  5. Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering. (United States)

    Kohagen, Miriam; Mason, Philip E; Jungwirth, Pavel


    Modeled ions, described by nonpolarizable force fields, can suffer from unphysical ion pairing and clustering in aqueous solutions well below their solubility limit. The electronic continuum correction takes electronic polarization effects of the solvent into account in an effective way by scaling the charges on the ions, resulting in a much better description of the ionic behavior. Here, we present parameters for the sodium ion consistent with this effective polarizability approach and in agreement with experimental data from neutron scattering, which could be used for simulations of complex aqueous systems where polarization effects are important.

  6. Aqueous lixiviants: Principle, types, and applications (United States)

    Wang, Shijie


    Aqueous lixiviant is a leach liquour capable of dissolving all or part of ore or concentrate. It plays a critical role in the hydrometallurgical process. Although cyanide leaching of gold and silver has demonstrated success in the industry for 100 years, searching for innovative lixiviants to leach gold, copper, and other heavy metals effectively, economically, and environmentally has never stopped. This paper reviews the aqueous lixiviant’s principle, summarizes the types used in numerous sites, and presents its new applications.

  7. Aqueous foam toxicology evaluation and hazard review

    Energy Technology Data Exchange (ETDEWEB)

    Archuleta, M.M.


    Aqueous foams are aggregates of bubbles mechanically generated by passing air or other gases through a net, screen, or other porous medium that is wetted by an aqueous solution of surface-active foaming agents (surfactants). Aqueous foams are important in modem fire-fighting technology, as well as for military uses for area denial and riot or crowd control. An aqueous foam is currently being developed and evaluated by Sandia National Laboratories (SNL) as a Less-Than-Lethal Weapon for the National Institute of Justice (NIJ). The purpose of this study is to evaluate the toxicity of the aqueous foam developed for the NIJ and to determine whether there are any significant adverse health effects associated with completely immersing individuals without protective equipment in the foam. The toxicity of the aqueous foam formulation developed for NIJ is determined by evaluating the toxicity of the individual components of the foam. The foam is made from a 2--5% solution of Steol CA-330 surfactant in water generated at expansion ratios ranging from 500:1 to 1000:1. SteoI CA-330 is a 35% ammonium laureth sulfate in water and is produced by Stepan Chemical Company and containing trace amounts (<0.1%) of 1,4-dioxane. The results of this study indicate that Steol CA-330 is a non-toxic, mildly irritating, surfactant that is used extensively in the cosmetics industry for hair care and bath products. Inhalation or dermal exposure to this material in aqueous foam is not expected to produce significant irritation or systemic toxicity to exposed individuals, even after prolonged exposure. The amount of 1,4-dioxane in the surfactant, and subsequently in the foam, is negligible and therefore, the toxicity associated with dioxane exposure is not significant. In general, immersion in similar aqueous foams has not resulted in acute, immediately life-threatening effects, or chronic, long-term, non-reversible effects following exposure.

  8. Stabilized aqueous gels and uses thereof

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, B.L.


    New improved aqueous gels, and methods of using same in contacting subterranean formations, are provided. The gels are prepared by gelling an aqueous brine having incorporated therein a water-soluble cellulose ether such as a carboxymethylcellulose (CMC), and are rendered more stable to decomposition by incorporating a sulfoalkylated tannin stabilizing agent, such as a sulfomethylated quebracho (SMQ), in the gel during the preparation thereof.


    Energy Technology Data Exchange (ETDEWEB)

    Diamond, D.J.; Bajorek, S.; Bakel, A.; Flanagan, G.; Mubayi, V.; Skarda, R.; Staudenmeier, J.; Taiwo, T.; Tonoike, K.; Tripp, C.; Wei, T.; Yarsky, P.


    Considerable interest has been expressed for developing a stable U.S. production capacity for medical isotopes and particularly for molybdenum- 99 (99Mo). This is motivated by recent re-ductions in production and supply worldwide. Consistent with U.S. nonproliferation objectives, any new production capability should not use highly enriched uranium fuel or targets. Conse-quently, Aqueous Homogeneous Reactors (AHRs) are under consideration for potential 99Mo production using low-enriched uranium. Although the Nuclear Regulatory Commission (NRC) has guidance to facilitate the licensing process for non-power reactors, that guidance is focused on reactors with fixed, solid fuel and hence, not applicable to an AHR. A panel was convened to study the technical issues associated with normal operation and potential transients and accidents of an AHR that might be designed for isotope production. The panel has produced the requisite AHR licensing guidance for three chapters that exist now for non-power reactor licensing: Reac-tor Description, Reactor Coolant Systems, and Accident Analysis. The guidance is in two parts for each chapter: 1) standard format and content a licensee would use and 2) the standard review plan the NRC staff would use. This guidance takes into account the unique features of an AHR such as the fuel being in solution; the fission product barriers being the vessel and attached systems; the production and release of radiolytic and fission product gases and their impact on operations and their control by a gas management system; and the movement of fuel into and out of the reactor vessel.

  10. Informed Food Choice

    DEFF Research Database (Denmark)

    Coff, Christian


    of informed food choice. An informed food choice is an enlightened food choice made by the individual based on the information made available. Food choices are made when shopping for food or when eating/drinking, and information is believed to give clarity to the options by increasing market transparency......, supporting rationality (the best choice), consumers’ self-governance (autonomy) and life coherence (integrity). On a practical level, informed food choice remains an ideal to strive for, as information on food often is inadequate.......Food production and consumption influence health, the environment, social structures, etc. For this reason consumers are increasingly interested in information about these effects. Disclosure of information about the consequences of food production and consumption is essential for the idea...


    Directory of Open Access Journals (Sweden)

    Silviu STANCIU


    Full Text Available The increasing world population, the limitation of the natural availability for food production, the climate issues and the food consumption need for modification imposed a continuous updating of the food security concept. Although Romania has sufficient natural resources, which may ensure, by means of proper exploitation, the population’s food needs, the lack of a unitary approach at the government level, materialized in the dependence on imports and in fluctuations in the agro-food production, leads to a re-evaluation of national food needs. National food security may be affected by a series of risks and threats, which appeared due to an imbalance connected with the availability, the utility and the stability of the agro-food sector, interdependent elements that must be functional. The present article proposes an analysis of food security in Romania, with a short presentation of the concept in an international context.

  12. Nanosensors for food safety. (United States)

    Li, Zhixiong; Sheng, Chenxing


    This review summarizes recent research and development of nanosensors applied to the food safety. Since the food safety is directly related to the people's health and life, the food detection has received considerable attentions. However, this food security has emerged in China as a severe problem in recent years. Food safety problems frequently compromised due to formaldehyde, poison vegetables, excessive pesticide residues, etc. These kinds of food contaminations could not be detected efficiently by traditional methods. Applying nanotechnology and nanominerals, various food contaminations can be identified accurately. Therefore nanosensors have been widely used in the food detection. We introduce current research on nanosensors followed by the industrial application of nanosensors. Finally, the challenges for the future food safety using nanosensors are discussed.

  13. Informed food choice

    DEFF Research Database (Denmark)

    Coff, Christian Eyde


    Food production and consumption influence health, the environment, social structures, etc. For this reason consumers are increasingly interested in information about these effects. Disclosure of information about the consequences of food production and consumption is essential for the idea...... of informed food choice. An informed food choice is an enlightened food choice made by the individual based on the information made available. Food choices are made when shopping for food or when eating/drinking, and information is believed to give clarity to the options by increasing market transparency......, supporting rationality (the best choice), consumers’ self-governance (autonomy) and life coherence (integrity). On a practical level, informed food choice remains an ideal to strive for, as information on food often is inadequate....

  14. Biotechnology and food allergy. (United States)

    Helm, Ricki M


    The production of genetically modified foods for an increasingly informed and selective consumer requires the coordinated activities of both the companies developing the transgenic food and regulatory authorities to ensure that these foods are at least as safe as the traditional foods they are supplementing in the diet. Although the size and complexity of the food sector ensures that no single player can control the process from seed production through farming and processing to final products marketed in a retail outlet, checks and balances are in place to ensure that transgenic foods will provide a convenient, wholesome, tasty, safe, affordable food source. Ultimately, it is the responsibility of companies developing the genetically modified food to provide relevant data to regulatory agencies, such as the US Department of Agriculture, Environmental Protection Agency, and Food and Drug Administration, to confirm that the transgenic product is reasonably safe for the consumer, as zero risk from allergen sensitization is nonexistent.

  15. ASRM process development in aqueous cleaning (United States)

    Swisher, Bill


    Viewgraphs are included on process development in aqueous cleaning which is taking place at the Aerojet Advanced Solid Rocket Motor (ASRM) Division under a NASA Marshall Space and Flight Center contract for design, development, test, and evaluation of the ASRM including new production facilities. The ASRM will utilize aqueous cleaning in several manufacturing process steps to clean case segments, nozzle metal components, and igniter closures. ASRM manufacturing process development is underway, including agent selection, agent characterization, subscale process optimization, bonding verification, and scale-up validation. Process parameters are currently being tested for optimization utilizing a Taguci Matrix, including agent concentration, cleaning solution temperature, agitation and immersion time, rinse water amount and temperature, and use/non-use of drying air. Based on results of process development testing to date, several observations are offered: aqueous cleaning appears effective for steels and SermeTel-coated metals in ASRM processing; aqueous cleaning agents may stain and/or attack bare aluminum metals to various extents; aqueous cleaning appears unsuitable for thermal sprayed aluminum-coated steel; aqueous cleaning appears to adequately remove a wide range of contaminants from flat metal surfaces, but supplementary assistance may be needed to remove clumps of tenacious contaminants embedded in holes, etc.; and hot rinse water appears to be beneficial to aid in drying of bare steel and retarding oxidation rate.

  16. Is fast food addictive? (United States)

    Garber, Andrea K; Lustig, Robert H


    Studies of food addiction have focused on highly palatable foods. While fast food falls squarely into that category, it has several other attributes that may increase its salience. This review examines whether the nutrients present in fast food, the characteristics of fast food consumers or the presentation and packaging of fast food may encourage substance dependence, as defined by the American Psychiatric Association. The majority of fast food meals are accompanied by a soda, which increases the sugar content 10-fold. Sugar addiction, including tolerance and withdrawal, has been demonstrated in rodents but not humans. Caffeine is a "model" substance of dependence; coffee drinks are driving the recent increase in fast food sales. Limited evidence suggests that the high fat and salt content of fast food may increase addictive potential. Fast food restaurants cluster in poorer neighborhoods and obese adults eat more fast food than those who are normal weight. Obesity is characterized by resistance to insulin, leptin and other hormonal signals that would normally control appetite and limit reward. Neuroimaging studies in obese subjects provide evidence of altered reward and tolerance. Once obese, many individuals meet criteria for psychological dependence. Stress and dieting may sensitize an individual to reward. Finally, fast food advertisements, restaurants and menus all provide environmental cues that may trigger addictive overeating. While the concept of fast food addiction remains to be proven, these findings support the role of fast food as a potentially addictive substance that is most likely to create dependence in vulnerable populations.

  17. Potential use of low-NDGA Larrea divaricata extracts as antioxidant in foods

    Directory of Open Access Journals (Sweden)

    Sebastian Turner Turner


    Full Text Available Larrea divaricata Cav. is widely distributed in Argentina. Aqueous extract, of its leaves, has documented antitumoral and immunomodulatory activities. In this study, the antioxidant activity of aqueous extract and a component, nordihydroguaiaretic acid was determined and compared using different assays. Both the aqueous extract and nordihydroguaiaretic acid exhibited antioxidant activity. However, results show that it is very likely that compounds other than nordihydroguaiaretic acid could be involved in the antioxidant activity of the extract. Since nordihydroguaiaretic acid is nephrotoxic and hepatotoxic agent, it is important to direct efforts toward the potential use of low-nordihydroguaiaretic acid L. divaricata extracts as antioxidant in foods.

  18. 21 CFR 170.10 - Food additives in standardized foods. (United States)


    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Food additives in standardized foods. 170.10... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) FOOD ADDITIVES General Provisions § 170.10 Food additives... the Act, which proposes the inclusion of a food additive in such definition and standard of...

  19. Food Safety Concerns

    Institute of Scientific and Technical Information of China (English)



    In China, there is an old saying:food is the first necessity of humans. The main concern of the Chinese used to be the security of the food supply rather than the safety of the food itself. However,after a long time fighting food shortages,China became self-sufficient in food in 1995. At this time, the country began for the first time to regulate food safety. Yet China has still not established a legal systern efficient in ensuring this safety. Many problems are rooted in the administration regime and China's priority of economic development.

  20. Impacts of WRF lightning assimilation on offline CMAQ simulations (United States)

    Deep convective clouds vertically redistribute trace gases and aerosols and also provide a source for scavenging, aqueous phase chemistry, and wet deposition, making them important to air quality.? Regional air quality simulations are typically driven by meteorological models tha...

  1. Parameter estimation in food science. (United States)

    Dolan, Kirk D; Mishra, Dharmendra K


    Modeling includes two distinct parts, the forward problem and the inverse problem. The forward problem-computing y(t) given known parameters-has received much attention, especially with the explosion of commercial simulation software. What is rarely made clear is that the forward results can be no better than the accuracy of the parameters. Therefore, the inverse problem-estimation of parameters given measured y(t)-is at least as important as the forward problem. However, in the food science literature there has been little attention paid to the accuracy of parameters. The purpose of this article is to summarize the state of the art of parameter estimation in food science, to review some of the common food science models used for parameter estimation (for microbial inactivation and growth, thermal properties, and kinetics), and to suggest a generic method to standardize parameter estimation, thereby making research results more useful. Scaled sensitivity coefficients are introduced and shown to be important in parameter identifiability. Sequential estimation and optimal experimental design are also reviewed as powerful parameter estimation methods that are beginning to be used in the food science literature.

  2. Molecular Simulation of Reverse Micelles (United States)

    Chowdhary, Janamejaya; Ladanyi, Branka


    Reverse micelles (RM) are surfactant assemblies containing a nanosized water pool dissolved in a hydrophobic solvent. Understanding their properties is crucial for insight into the effect of confinement on aqueous structure, dynamics as well as physical processes associated with solutes in confinement. We perform molecular dynamics simulations for the RM formed by the surfactant Aerosol-OT (AOT) in isooctane (2,2,4-trimethyl pentane) in order to study the effect of reverse micelle size on the aqueous phase. The structure of the RM is quantified in terms of the radial and pair density distributions. Dynamics are studied in terms of the mean squared displacements and various orientational time correlation functions in different parts of the RM so as to understand the effect of proximity to the interface on aqueous dynamics. Shape fluctuations of the RM are also analyzed.

  3. Food nanotechnology - an overview. (United States)

    Sekhon, Bhupinder S


    Food nanotechnology is an area of emerging interest and opens up a whole universe of new possibilities for the food industry. The basic categories of nanotechnology applications and functionalities currently in the development of food packaging include: the improvement of plastic materials barriers, the incorporation of active components that can deliver functional attributes beyond those of conventional active packaging, and the sensing and signaling of relevant information. Nano food packaging materials may extend food life, improve food safety, alert consumers that food is contaminated or spoiled, repair tears in packaging, and even release preservatives to extend the life of the food in the package. Nanotechnology applications in the food industry can be utilized to detect bacteria in packaging, or produce stronger flavors and color quality, and safety by increasing the barrier properties. Nanotechnology holds great promise to provide benefits not just within food products but also around food products. In fact, nanotechnology introduces new chances for innovation in the food industry at immense speed, but uncertainty and health concerns are also emerging. EU/WE/global legislation for the regulation of nanotechnology in food are meager. Moreover, current legislation appears unsuitable to nanotechnology specificity.

  4. [Food security in Mexico]. (United States)

    Urquía-Fernández, Nuria


    An overview of food security and nutrition in Mexico is presented, based on the analysis of the four pillars of food security: availability, access, utilization of food, and stability of the food supply. In addition, the two faces of malnutrition in Mexico were analyzed: obesity and undernourishment. Data were gathered from the food security indicators of the United Nations's Food and Agriculture Organization, from the Mexican Scale of Food Security, and from the National Health and Nutrition Survey. Mexico presents an index of availability of 3 145 kilocalories per person per day, one of the highest indexes in the world, including both food production and imports. In contrast, Mexico is affected by a double burden of malnutrition: whereas children under five present 14% of stunt, 30% of the adult population is obese. Also, more than 18% of the population cannot afford the basic food basket (food poverty). Using perception surveys, people reports important levels of food insecurity, which concentrates in seven states of the Mexican Federation. The production structure underlying these indicators shows a very heterogeneous landscape, which translates in to a low productivity growth across the last years. Food security being a multidimensional concept, to ensure food security for the Mexican population requires a revision and redesign of public productive and social policies, placing a particular focus on strengthening the mechanisms of institutional governance.

  5. Functional Foods for Women's Health. (United States)

    Lindeman, Alice K.


    Describes functional foods for women's health (foods or food ingredients that provide health benefits beyond basic nutrition), explaining that both whole and modified foods can be included as functional foods. The paper discusses the history, regulation, and promotion of functional foods; consumer interest in functional foods; how to incorporate…

  6. Sodium and Food Sources (United States)

    ... Sources Top 10 Sources of Sodium How to Reduce Sodium Sodium Reduction Resources for Everyone Sodium Reduction Fact ... in processed food [PDF-867K] and how to reduce sodium. Sodium Reduction Is Challenging Types of food matter: ...

  7. Food health law

    DEFF Research Database (Denmark)

    Edinger, Wieke Willemijn Huizing


    between obesity and non-communicable diseases, on the one hand, and unhealthy food on the other. The EU has taken initiatives to stop this development, but these are directed at guiding consumer choice rather than at regulating foods from the point of view of their composition and nutritional value......The EU has developed a detailed stringent set of food safety rules aimed at limiting or containing the risk that people experience negative health effects from the consumption of food. In doing so, the legislator has focused on food safety in a relatively narrow sense, not including the potential...... risks to human health of foods with, e.g., negative nutritional features. While EU food safety legislation seems successful in preventing food-borne illnesses, public focus has shifted to the growing prevalence of lifestyle-related illnesses. There is convincing scientific evidence of a correlation...

  8. Figuring Out Food Labels (United States)

    ... a close look — beyond the promises — at the nutritional values, ingredients, and calorie counts in the food you ... generally eat. All of the information about the nutritional value of the food that is listed on the ...

  9. Organic food processing

    DEFF Research Database (Denmark)

    Kahl, Johannes; Alborzi, Farnaz; Beck, Alexander


    In 2007 EU Regulation (EC) 834/2007 introduced principles and criteria for organic food processing. These regulations have been analysed and discussed in several scientific publications and research project reports. Recently, organic food quality was described by principles, aspects and criteria....... These principles from organic agriculture were verified and adapted for organic food processing. Different levels for evaluation were suggested. In another document, underlying paradigms and consumer perception of organic food were reviewed against functional food, resulting in identifying integral product...... to evaluate processing methods. Therefore the goal of this paper is to describe and discuss the topic of organic food processing to make it operational. A conceptual background for organic food processing is given by verifying the underlying paradigms and principles of organic farming and organic food as well...

  10. Thermodynamics and Frozen Foods. (United States)

    Kerr, William L.; Reid, David S.


    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  11. Fast food (image) (United States)

    Fast foods are quick, reasonably priced, and readily available alternatives to home cooking. While convenient and economical for a busy lifestyle, fast foods are typically high in calories, fat, saturated ...

  12. Attributing illness to food

    DEFF Research Database (Denmark)

    Batz, M. B.; Doyle, M. P.; Morris, J. G.


    Identification and prioritization of effective food safety interventions require an understanding of the relationship between food and pathogen from farm to consumption. Critical to this cause is food attribution, the capacity to attribute cases of foodborne disease to the food vehicle or other...... source responsible for illness. A wide variety of food attribution approaches and data are used around the world including the analysis of outbreak data, case-control studies, microbial subtyping and source tracking methods, and expert judgment, among others. The Food Safety Research Consortium sponsored...... the Food Attribution Data Workshop in October 2003 to discuss the virtues and limitations of these approaches and to identify future options for collecting food attribution data in the United States. We summarize workshop discussions and identify challenges that affect progress in this critical component...

  13. Improving Food Safety

    Institute of Scientific and Technical Information of China (English)


    The government takes a tougher stance on processors and producers violating food safety standards Awave of recent contaminated food incidents,exemplified by an E.coli outbreak in Germany and the discovery of industrial plasticizers in

  14. Kids with Food Allergies (United States)

    ... Stay in Touch Donate Get Support Kids with Food Allergies Search: Resources Recipes Community Home About KFA Programs ... AAFA KFA-AAFA Merger Contact Us Living With Food Allergies Allergens Peanut Allergy Tree Nut Allergy Milk Allergy ...

  15. Food allergies (image) (United States)

    ... upon subsequent exposure to the substance. An actual food allergy, as opposed to simple intolerance due to the lack of digesting enzymes, is indicated by the production of antibodies to the food allergen, and by the release of histamines and ...

  16. Fast food tips (image) (United States)

    ... challenge to eat healthy when going to a fast food place. In general, avoiding items that are deep ... challenge to eat healthy when going to a fast food place. In general, avoiding items that are deep ...

  17. Fires and Food Safety (United States)

    ... Standard Forms FSIS United States Department of Agriculture Food Safety and Inspection Service About FSIS District Offices Careers ... Viewer (JSR 286) Actions ${title} Loading... Fires and Food Safety Fire! Few words can strike such terror. Residential ...

  18. Food Applications and Regulation (United States)

    Gálvez, Antonio; Abriouel, Hikmate; Omar, Nabil Ben; Lucas, Rosario

    This chapter deals with food applications of bacteriocins. Regulatory issues on the different possibilities for incorporating bacteriocins as bioprotectants are discussed. Specific applications of bacteriocins or bacteriocin-producing strains are described for main food categories, including milk and dairy products, raw meats, ready-to-eat meat and poultry products, fermented meats, fish and fish products or fermented fish. The last section of the chapter deals with applications in foods and beverages derived from plant materials, such as raw vegetable foods, fruits and fruit juices, cooked food products, fermented vegetable foods and ­fermented beverages. Results obtained for application of bacteriocins in combination with other hurdles are also discussed for each specific case, with a special emphasis on novel food packaging and food-processing technologies, such as irradiation, pulsed electric field treatments or high hydrostatic pressure treatment.

  19. Healthy food trends -- kale (United States)

    Healthy food trends - borecole; Healthy snacks - kale; Weight loss - kale; Healthy diet - kale; Wellness - kale ... drugs), you may need to limit vitamin K foods. Vitamin K can affect how these medicines work. ...

  20. Food poisoning (image) (United States)

    ... food contaminated with organisms is ingested. The bacteria Staphylococcus aureus can commonly be found on people, but when allowed to grow in food this bacteria can produce a toxin that causes illness such as vomiting and diarrhea. ...

  1. The Antioxidative Activity of Aqueous and Ethanolic Extracts of Rosemary and Green Tea Leaves: A Comparative Study

    Directory of Open Access Journals (Sweden)

    *N. M. Tariq


    Full Text Available The antioxidant activities of rosemary and green tea leaves, aqueous and ethanolic extracts, have been studied by using two different methods (reducing power and chelating ability. It was found that the total phenolic compounds in aqueous and ethanolic extracts of rosemary and green tea leaves were 13.44, 18.75, 39.38 and 48.44 mg/ 100 mg dry extract respectively. The flavonoids (which is a part of the phenolic compounds were found to be 9.54, 12.65, 17.69 and 22.70 mg/ 100 mg dry extract in aqueous and ethanolic extract of rosemary and green tea leaves respectively. The ethanolic extract shows high content of phenolic compounds and in turn highly antioxidative activiy for both rosemary and green tea leaves as compared with aqueous extract.The aqueous and ethanolic extracts of rosemary and green tea leaves show high reducing power ability comparing with their abilities as chelating agents. Although, the phenolic compounds of green tea leave almost about 3-fold as compared with rosemary leave in both aqueous and ethanolic extracts, their extracts show extremely the same mode of action in both methods of determination (the reducing power and chelating ability. Therefore, we are fully recommended the rosemary leave extracts as a potent food preservative.

  2. Automatic food decisions

    DEFF Research Database (Denmark)

    Mueller Loose, Simone

    Consumers' food decisions are to a large extent shaped by automatic processes, which are either internally directed through learned habits and routines or externally influenced by context factors and visual information triggers. Innovative research methods such as eye tracking, choice experiments...... and food diaries allow us to better understand the impact of unconscious processes on consumers' food choices. Simone Mueller Loose will provide an overview of recent research insights into the effects of habit and context on consumers' food choices....

  3. Food supply chains


    Zhou, Qian


    The dissertation analyses food waste in global supply chain. From the related managerial literature, the process of supply chain operation, from agriculture, manufacturing, warehouses, retailers to customers are explained clearly. Then the reasons and characteristics of food wastes in any point of food supply chain are analyzed. From some case studies and questionnaire investigation, some corresponding methods to reduce food waste are put forward in the following. Lastly, in terms of method s...

  4. Food irradiation makes progress

    Energy Technology Data Exchange (ETDEWEB)

    Kooij, J. van (Joint FAO/IAEA Div. of Isotope and Radiation Applications of Atomic Energy for Food and Agricultural Development, Vienna (Austria))


    In the past fifteen years, food irradiation processing policies and programmes have been developed both by a number of individual countries, and through projects supported by FAO, IAEA and WHO. These aim at achieving general acceptance and practical implementation of food irradiation through rigorous investigations of its wholesomeness, technological and economic feasibility, and efforts to achieve the unimpeded movement of irradiated foods in international trade. Food irradiation processing has many uses.

  5. Irradiation and food processing. (United States)

    Sigurbjörnsson, B; Loaharanu, P


    After more than four decades of research and development, food irradiation has been demonstrated to be safe, effective and versatile as a process of food preservation, decontamination or disinfection. Its various applications cover: inhibition of sprouting of root crops; insect disinfestation of stored products, fresh and dried food; shelf-life extension of fresh fruits, vegetables, meat and fish; destruction of parasites and pathogenic micro-organisms in food of animal origin; decontamination of spices and food ingredients, etc. Such applications provide consumers with the increase in variety, volume and value of food. Although regulations on food irradiation in different countries are largely unharmonized, national authorities have shown increasing recognition and acceptance of this technology based on the Codex Standard for Irradiated Foods and its associated Code of Practice. Harmonization of national legislations represents an important prerequisite to international trade in irradiated food. Consumers at large are still not aware of the safety and benefits that food irradiation has to offer. Thus, national and international organizations, food industry, trade associations and consumer unions have important roles to play in introducing this technology based on its scientific values. Public acceptance of food irradiation may be slow at the beginning, but should increase at a faster rate in the foreseeable future when consumers are well informed of the safety and benefits of this technology in comparison with existing ones. Commercial applications of food irradiation has already started in 18 countries at present. The volume of food or ingredients treated on a commercial scale varies from country to country ranging from several tons of spices to hundreds of thousands of tons of grains per annum. With the increasing interest of national authorities and the food industry in applying the process, it is anticipated that some 25 countries will use some 55 commercial

  6. Trends in food biotechnology


    Ramón, Daniel


    For thousands of years man has been applying genetics to improve both foodstuffs and food products. Using selective breeding and/or spontaneous mutations, a large number of plant varieties, animal breeds and microbial strains have been produced. In fact, food biotechnology is the oldest form of biotechnology. Recently, recombinant DNA techniques have been applied in food technology, creating so-called ‘genetically modified foods’ (GM foods). Examples include transgenic potatoes able to act as...

  7. Differentiating food allergies from food intolerances. (United States)

    Guandalini, Stefano; Newland, Catherine


    Adverse reactions to foods are extremely common, and generally they are attributed to allergy. However, clinical manifestations of various degrees of severity related to ingestion of foods can arise as a result of a number of disorders, only some of which can be defined as allergic, implying an immune mechanism. Recent epidemiological data in North America showed that the prevalence of food allergy in children has increased. The most common food allergens in the United States include egg, milk, peanut, tree nuts, wheat, crustacean shellfish, and soy. This review examines the various forms of food intolerances (immunoglobulin E [IgE] and non-IgE mediated), including celiac disease and gluten sensitivity. Immune mediated reactions can be either IgE mediated or non-IgE mediated. Among the first group, Immediate GI hypersensitivity and oral allergy syndrome are the best described. Often, but not always, IgE-mediated food allergies are entities such as eosinophilic esophagitis and eosinophilic gastroenteropathy. Non IgE-mediated immune mediated food reactions include celiac disease and gluten sensitivity, two increasingly recognized disorders. Finally, non-immune mediated reactions encompass different categories such as disorders of digestion and absorption, inborn errors of metabolism, as well as pharmacological and toxic reactions.


    Directory of Open Access Journals (Sweden)

    Marta Santalha


    Conclusions: In these cases, most children had co-sensitization with other allergens, as well as another manifestation of concomitant allergy, showing the role of food allergy in allergic march. Food allergy diagnosis is extremely important, as it can be potentially serious if not prevented by food avoidance.

  9. Modelling microorganisms in food

    NARCIS (Netherlands)

    Brul, S.; Gerwen, van S.; Zwietering, M.H.


    Predicting the growth and behaviour of microorganisms in food has long been an aim in food microbiology research. In recent years, microbial models have evolved to become more exact and the discipline of quantitative microbial ecology has gained increasing importance for food safety management, part

  10. SAFE HANDLING OF FOODS (United States)

    Microbial food-borne illnesses pose a significant health problem in Japan. In 1996 the world's largest outbreak of Escherichia coli food illness occurred in Japan. Since then, new regulatory measures were established, including strict hygiene practices in meat and food processi...

  11. Personal Food System Mapping (United States)

    Wilsey, David; Dover, Sally


    Personal food system mapping is a practical means to engage community participants and educators in individualized and shared learning about food systems, decisions, and behaviors. Moreover, it is a useful approach for introducing the food system concept, which is somewhat abstract. We developed the approach to capture diversity of personal food…

  12. Addressing Food Allergies (United States)

    DeVoe, Jeanne Jackson


    Since 1960, the incidence of food allergies in children has grown fivefold, from 1 in 100 children to 1 in 20 children, according to the Food Allergy Initiative. Food allergies cause anaphylactic shock, the most severe type of allergic reaction, which can lead to death within minutes if left untreated. While there are no standard guidelines from…

  13. Metabolomics in food science. (United States)

    Cevallos-Cevallos, Juan Manuel; Reyes-De-Corcuera, José Ignacio


    Metabolomics, the newest member of the omics techniques, has become an important tool in agriculture, pharmacy, and environmental sciences. Advances in compound extraction, separation, detection, identification, and data analysis have allowed metabolomics applications in food sciences including food processing, quality, and safety. This chapter discusses recent advances and applications of metabolomics in food science.

  14. In Food We Trust

    Institute of Scientific and Technical Information of China (English)


    China’s first Food Safety Law gives people hope to eatsafer in the near future The Food Safety Law, adopted bythe Standing Committee of the 1 lthNational People’s Congress (NPC)on February 28, toughens penal-ties for substandard food makers. It alsopromises to enhance monitoring and supervi-sion, strengthen safety standards and recallT


    This book chapter describes the scope of the bioterrorist threat to the United States food supply in terms of food service establishments. Descriptions include the organisms and other agents that may be disseminated by food ingestion and the challenges in differentiation of intentional and unintenti...

  16. Food processing and allergenicity

    NARCIS (Netherlands)

    Verhoeckx, K.C.M.; Vissers, Y.M.; Baumert, J.L.; Faludi, R.; Feys, M.; Flanagan, S.; Herouet-Guicheney, C.; Holzhauser, T.; Shimojo, R.; Bolt, N. van der; Wichers, H.; Kimber, I.


    Food processing can have many beneficial effects. However, processing may also alter the allergenic properties of food proteins. A wide variety of processing methods is available and their use depends largely on the food to be processed. In this review the impact of processing (heat and non-heat tre

  17. Food policy an ethics

    DEFF Research Database (Denmark)

    Coff, Christian Eyde; Kemp, Peter


    This entry gives an overview of food policy and major ethical principles that in the last decades have been proposed and advocated for in debates on food policy. Food policies touch upon a vast area of interrelated policies (like health, transport, environment, poverty, animal welfare etc.) which...

  18. Food processing in action (United States)

    Radio frequency (RF) heating is a commonly used food processing technology that has been applied for drying and baking as well as thawing of frozen foods. Its use in pasteurization, as well as for sterilization and disinfection of foods, is more limited. This column will review various RF heating ap...

  19. Food and Your Bones (United States)

    ... Store Shopping Cart Home › Patients › Treatment › Nutrition Nutrition Food For Thought Quiz Please share why you eat ... never tried prunes View Answers Loading ... Sponsored by: Food and Your Bones – Osteoporosis Nutrition Guidelines The food ...

  20. Food and Pesticides (United States)

    EPA sets limits on how much of a pesticide may be used on food during growing and processing, and how much can remain on the food you buy. Learn about regulation of pesticides on food and how you can limit exposure.

  1. Food Processing and Allergenicity

    NARCIS (Netherlands)

    Verhoeckx, K.; Vissers, Y.; Baumert, J.L.; Faludi, R.; Fleys, M.; Flanagan, S.; Herouet-Guicheney, C.; Holzhauser, T.; Shimojo, R.; Bolt, van der Nieke; Wichers, H.J.; Kimber, I.


    Food processing can have many beneficial effects. However, processing may also alter the allergenic properties of food proteins. A wide variety of processing methods is available and their use depends largely on the food to be processed.

    In this review the impact of processing (heat and non

  2. China's Food Quality Report

    Institute of Scientific and Technical Information of China (English)


    @@ Editorial Note: This report on China's food security situation aims to put at ease the hearts of consumers at home and abroad.It will convey that China is a responsible country with an effective system for safeguarding every link in the food export chain.Hence,a few bad incidents should not be regarded as representative of all Chinese food exports.

  3. Fast food tips (United States)

    ... Order smaller servings when you can. Split some fast-food items to reduce calories and fat. Ask for a "doggy bag." You can also leave the extra food on your plate. Your food choices can teach your children how to eat healthy, too. Choosing a variety ...

  4. Aqueous misdirection syndrome: an interesting case presentation

    Directory of Open Access Journals (Sweden)

    Moinul P


    Full Text Available Prima Moinul,1 Cindy ML Hutnik2 1Faculty of Medicine, University of Calgary, Calgary, AB, Canada; 2Ivey Eye Institute, St Joseph’s Health Care, Department of Ophthalmology, University of Western Ontario, London, ON, Canada Objective: To report a case of an aqueous misdirection-like presentation in a pseudophakic patient.Design: Retrospective case review.Participant: An 84-year-old pseudophakic gentleman presented with bilateral blurred vision 8 years after cataract surgery. A refractive shift with shallow anterior chambers and elevated intraocular pressures were noted. No corneal edema was noted. Although aqueous suppression and topical atropine would relieve the signs and symptoms, the effect was temporary with fluctuating and variable changes in refraction, anterior chamber depth, and intraocular pressure. The presence of patent iridotomies had no effect on the fluctuations. A pars plana vitrectomy and surgical iridectomy were successful in preventing further fluctuations.Conclusion: Aqueous misdirection is a form of secondary angle closure glaucoma marked by elevated intraocular pressures, myopic shift in refraction, and central shallowing of the anterior chamber. Here, a case of a pseudophakic patient experiencing bilateral and fluctuating signs and symptoms resembling aqueous misdirection is presented. Surgical intervention with a pars plana vitrectomy and iridectomy prevented further fluctuations. Keywords: aqueous misdirection, glaucoma, pars plana vitrectomy, secondary angle closure

  5. Aqueous Wetting Films on Fused Quartz. (United States)

    Mazzoco; Wayner


    Using an image analyzing interferometer, IAI, the interfacial characteristics of an isothermal constrained vapor bubble, CVB, in a quartz cuvette were studied as a precursor to heat transfer research. The effects of pH and electrolyte concentration on the meniscus properties (curvature and adsorbed film thickness) and the stability of the aqueous wetting films were evaluated. The surface potential in the electric double layer was a function of the cleaning and hydroxylation of the quartz surface. The disjoining pressure isotherm for pure water was very close to that predicted by the Langmuir equation. For aqueous solutions of moderate electrolyte concentration, the Gouy-Chapman theory provided a good representation of the electrostatic effects in the film. The effect of temperature on the film properties of aqueous solutions and pure water was also evaluated: The meniscus curvature decreased with increasing temperature, while Marangoni effects, intermolecular forces, and local evaporation and condensation enhanced waves on the adsorbed film layer. Pure water wetting films were mechanically metastable, breaking into droplets and very thin films (less than 10 nm) after a few hours. Aqueous wetting films with pH 12.4 proved to be stable during a test of several months, even when subjected to temperature and mechanical perturbations. The mechanical stability of wetting films can explain the reported differences between the critical heat fluxes of pure water and aqueous solutions. The IAI-CVB technique is a simple and versatile experimental technique for studying the characteristics of interfacial systems. Copyright 1999 Academic Press.

  6. Understanding the Marketplace: A Simulation (United States)

    Vickers, Carole A.


    Describes a marketplace simulation game to help students understand the role of competition and the rationale behind buying and selling food and restaurant services. Cutouts (given in the article) are used to simulate elements in the game. Emphasis is on making decisions in business operation and consumer purchases. (MF)

  7. Study on diuretic activity of saffron (stigma of Crocus sativus L. Aqueous extract in rat

    Directory of Open Access Journals (Sweden)

    Nabi Shariatifar


    Full Text Available Saffron is the most expensive spice in the world and consists of the dried stigmas of Crocus sativus L. It is used as food coloring and flavoring in food industry and traditional cooking and also in folk medicine as antispasmodic, carminative, stomachic, expectorant, aphrodisiac and cardiotonic. The present study has evaluated the diuretic activity of aqueous extract of dried saffron (stigma of Crocussativus in rat. Aqueous extracts of saffron were administered to experimental rats orally as doses of 60, 120 and 240 mg/kg body weight (BW and compared with hydrochlorothiazide (10 mg/kg B.W., intraperitoneally, a potent diuretic as positive control and normal saline solution as placebo for control group. The measured parameters for diuretic activity were total urine volume, urine electrolytes concentration such as sodium and potassium, creatinine and urea concentration. The treated rats with aqueous extract of saffron as doses of 120 and 240 mg/kg BW showed higher urine output when compared to the control group. Also, it has shown a significant dose-dependent increase in the excretion of electrolytes when compared to the control group. Our findings proved the diuretic activity of saffron which is used in traditional medicine, it can be an effective and safe strategy for related dysfunction. Also further studies are needed to identify the mechanisms of action, probably other effects and interactions with other medicines.

  8. Structure of aqueous sodium perchlorate solutions. (United States)

    General, Ignacio J; Asciutto, Eliana K; Madura, Jeffry D


    Salt solutions have been the object of study of many scientists through history, but one of the most important findings came along when the Hofmeister series were discovered. Their importance arises from the fact that they influence the relative solubility of proteins, and solubility is directly related to one of today's holy grails: protein folding. In this work we characterize one of the more-destabilizing salts in the series, sodium perchlorate, by studying it as an aqueous solution at various concentrations ranging from 0.08 to 1.60 mol/L. Molecular dynamics simulations at room temperature permitted a detailed study of the organization of solvent and cosolvent, in terms of its radial distribution functions, along with the study of the structure of hydrogen bonds in the ions' solvation shells. We found that the distribution functions have some variations in their shape as concentration changes, but the position of their peaks is mostly unaffected. Regarding water, the most salient fact is the noticeable (although small) change in the second hydration shell and even beyond, especially for g(O(w)***O(w)), showing that the locality of salt effects should not be restricted to considerations of only the first solvation shell. The perturbation of the second shell also appears in the study of the HB network, where the difference between the number of HBs around a water molecule and around the Na(+) cation gets much smaller as one goes from the first to the second solvation shell, yet the difference is not negligible. Nevertheless, the effect of the ions past their first hydration shell is not enough to make a noticeable change in the global HB network. The Kirkwood-Buff theory of liquids was applied to our system, in order to calculate the activity derivative of the cosolvent. This coefficient, along with a previously calculated preferential binding, allowed us to establish that if a folded AP peptide is immersed in the studied solution, becoming the solute, then

  9. Formation of hydroxyapatite in various aqueous solutions (United States)

    Sturgeon, Jacqueline Lee

    Hydroxyapatite (HAp), Ca10(PO4)6(OH) 2, is important in the field of biomaterials as it is the mineral component of bones and teeth. Biological apatites do not maintain an exact composition and are usually calcium-deficient, represented as Ca(10- x)(HPO 4)x(PO4)(6-x)(OH)(2-x), where x ranges from 0 to 1, with various ion substitutions. Formation of calcium-deficient hydroxyapatites (CDHAp) from solid calcium phosphate precursor materials was performed at physiologic temperature (37°C) in a variety of aqueous solutions. Two cement systems were utilized in these experiments: tetralcium phosphate (TetCP) with dicalcium phosphate anhydrous (DCPA) and beta-tricalcium phosphate (beta-TCP). The kinetics, solution chemistry, phase evolution, and microstructure of the developed apatites were analyzed as appropriate. Reaction of beta-TCP in ammonium fluoride solutions formed HAp substituted with fluoride and calculated to be deficient in calcium. A new ratio of TetCP to DCPA was used with solutions of sodium bicarbonate to form a calcium-deficient carbonate hydroxyapatite. The capacity for sodium dihydrogen phosphate to buffer pH increases and enhance reaction kinetics in this system was also explored. Formation of a highly crystalline CDHAp was achieved by hydrolyzing beta-TCP in water for extended time periods. Lattice parameters were among the features characterized for this apatite. The hydrolysis of beta-TCP in phosphate buffered saline (PBS) and simulated body fluids (SBF) was also investigated; use of SBF was found to completely inhibit formation of HAp in this system while reaction in PBS was slow in comparison to water. The effects of filler materials on the mechanical properties of a calcium phosphate cement were examined using the TetCP/DCPA system. Dense aggregates were not found to decrease compressive strength in comparison to the cement alone. The use of aggregates was found to improve the compressive strength of cement formed using NaHCO3 solution as a

  10. Inactivation of Human Norovirus and Its Surrogates on Alfalfa Seeds by Aqueous Ozone. (United States)

    Wang, Qing; Markland, Sarah; Kniel, Kalmia E


    Alfalfa sprouts have been associated with numerous foodborne outbreaks. Previous studies investigated the effectiveness of aqueous ozone on bacterially contaminated seeds, yet little is known about the response of human norovirus (huNoV). This study assessed aqueous ozone for the disinfection of alfalfa seeds contaminated with huNoV and its surrogates. The inactivation of viruses without a food matrix was also investigated. Alfalfa seeds were inoculated with huNoV genogroup II, Tulane virus (TV), and murine norovirus (MNV); viruses alone or inoculated on seeds were treated in deionized water containing 6.25 ppm of aqueous ozone with agitation at 22°C for 0.5, 1, 5, 15, or 30 min. The data showed that aqueous ozone resulted in reductions of MNV and TV infectivity from 1.66 ± 1.11 to 5.60 ± 1.11 log PFU/g seeds; for all treatment times, significantly higher reductions were observed for MNV (P water was similar to that of huNoV, whereas MNV had significantly greater reductions in genomic copies (P ozone-treated viruses alone, with significantly higher levels of inactivation (P ozone indicates that ozone may be a plausible substitute for chlorine as an alternative treatment for seeds. The behavior of TV was similar to that of huNoV, which makes it a promising surrogate for these types of scenarios.

  11. Sulfation effect on levan polysaccharide chains structure with molecular dynamics simulations (United States)

    Coskunkan, Binnaz; Turgut, Deniz; Rende, Deniz; Malta, Seyda; Baysal, Nihat; Ozisik, Rahmi; Toksoy-Oner, Ebru

    Diversity in conformations and structural heterogeneity make polysaccharides the most challenging biopolymer type for experimental and theoretical characterization studies. Levan is a biopolymer chain that consists of fructose rings with β(2-6) linkages. It is a glycan that has great potential as a functional biopolymer in foods, feeds, cosmetics, pharmaceutical and chemical industries. Sulfated polysaccharides are group of macromolecules with sulfated groups in their hydroxyl parts with a range of important biological properties. Sulfate groups and their positions have a major effect on anticoagulant activity. It is reported that sulfate modified levan has anticoagulant activity such as heparin. In the current study, the effect of sulfation on the structure and dynamics of unmodified and sulfate modified levan are investigated via fully atomistic Molecular Dynamics simulations in aqueous media and varying salt concentrations at 310 K. This material is based upon work supported by the National Science Foundation under Grant No. CMMI-1538730.

  12. Enzymatic oxidation of aqueous pentachlorophenol

    Institute of Scientific and Technical Information of China (English)


    The influence of the nonionic surfactant Tween 80 on pentachlorophenol (PCP) oxidation catalyzed by horseradish peroxidase was studied.The surfactant was tested at concentrations below and above its critical micelle concentration (CMC).Enhancement of PCP removal was observed at sub-CMCs.The presence of Tween 80 in the reaction mixture reduced enzyme inactivation which occurred through a combination of free radical attack and sorption by precipitated products.A simple first-order model was able to simulate time profiles for enzyme inactivation in the presence or absence of Tween 80.At supra-CMCs,the surfactant caused noticeable reductions in PCP removal.presumably through micelle partitioning of PCP which precluded the hydrophobic PCP molecule from interacting with the enzyme.

  13. Reframing convenience food. (United States)

    Jackson, Peter; Viehoff, Valerie


    This paper provides a critical review of recent research on the consumption of 'convenience' food, highlighting the contested nature of the term and exploring its implications for public health and environmental sustainability. It distinguishes between convenience food in general and particular types of convenience food, such as ready-meals, tracing the structure and growth of the market for such foods with a particular emphasis on the UK which currently has the highest rate of ready-meal consumption in Europe. Having established the definitional complexities of the term, the paper presents the evidence from a systematic review of the literature, highlighting the significance of convenience food in time-saving and time-shifting, the importance of recent changes in domestic labour and family life, and the way the consumption of convenience food is frequently moralized. The paper shows how current debates about convenience food are part of a longer discursive history about food, health and nutrition. It discusses current levels of public understanding about the links between convenience food, environmental sustainability and food waste. The paper concludes by making a case for understanding the consumption of convenience food in terms of everyday social practices, emphasising its habitual and routine character.

  14. Functional foods in pediatrics. (United States)

    Van den Driessche, M; Veereman-Wauters, G


    The philosophy that food can be health promoting beyond its nutritional value is gaining acceptance. Known disease preventive aspects of nutrition have led to a new science, the 'functional food science'. Functional foods, first introduced in Japan, have no universally accepted definition but can be described as foods or food ingredients that may provide health benefits and prevent diseases. Currently, there is a growing interest in these products. However, not all regulatory issues have been settled yet. Five categories of foods can be classified as functional foods: dietary fibers, vitamins and minerals, bioactive substances, fatty acids and pro-, pre- and symbiotics. The latter are currently the main focus of research. Functional foods can be applied in pediatrics: during pregnancy, nutrition is 'functional' since it has prenatal influences on the intra-uterine development of the baby, after birth, 'functional' human milk supports adequate growth of infants and pro- and prebiotics can modulate the flora composition and as such confer certain health advantages. Functional foods have also been studied in pediatric diseases. The severity of necrotising enterocolitis (NEC), diarrhea, irritable bowel syndrome, intestinal allergy and lactose intolerance may be reduced by using functional foods. Functional foods have proven to be valuable contributors to the improvement of health and the prevention of diseases in pediatric populations.

  15. EU Food Health Law

    DEFF Research Database (Denmark)

    Edinger, Wieke Willemijn Huizing

    and rational dietary choices on the basis of the food information provided on food labels or generally available in society. In recent years, the EU legislative has shown increased commitment to further empower consumers in pace with the advancement of modern manufacturing and advertising techniques......This thesis shows that the distinction between food safety and non-safety issues in Regulation (EC) No 178/2002, the General Food Law (GFL), results in a grey area of regulation. This grey area comprises foods that do not pose a food safety risk in a legal sense, but that could pose a threat...... to human health because of other factors, such as their nutritional composition. The growing prevalence of obesity and non-communicable diseases are examples of contemporary health challenges that are difficult to fit into the rather narrow concept of food safety risks in the GFL. The conclusion is that EU...

  16. Food-drug interactions

    DEFF Research Database (Denmark)

    Schmidt, Lars E; Dalhoff, Kim


    Interactions between food and drugs may inadvertently reduce or increase the drug effect. The majority of clinically relevant food-drug interactions are caused by food-induced changes in the bioavailability of the drug. Since the bioavailability and clinical effect of most drugs are correlated......, the bioavailability is an important pharmacokinetic effect parameter. However, in order to evaluate the clinical relevance of a food-drug interaction, the impact of food intake on the clinical effect of the drug has to be quantified as well. As a result of quality review in healthcare systems, healthcare providers...... are increasingly required to develop methods for identifying and preventing adverse food-drug interactions. In this review of original literature, we have tried to provide both pharmacokinetic and clinical effect parameters of clinically relevant food-drug interactions. The most important interactions are those...

  17. Engineering aspects of rate-related processes in food manufacturing. (United States)

    Adachi, Shuji


    Many rate-related phenomena occur in food manufacturing processes. This review addresses four of them, all of which are topics that the author has studied in order to design food manufacturing processes that are favorable from the standpoint of food engineering. They include chromatographic separation through continuous separation with a simulated moving adsorber, lipid oxidation kinetics in emulsions and microencapsulated systems, kinetic analysis and extraction in subcritical water, and water migration in pasta.

  18. Food Protection Has Many Facets (United States)

    Walker, Bailus, Jr.; And Others


    Developments in food protection are described for microbiological contaminants, delicatessen foods, seafoods, mycotoxins, food additives, and regulatory surveillance. Proposed and advocated is a cooperative, basic data, monitoring program focusing on microbiological, chemical, nutritional, toxicological, and related food quality indices. (BL)

  19. MyPlate Food Guide (United States)

    ... Surgery? A Week of Healthy Breakfasts Shyness MyPlate Food Guide KidsHealth > For Teens > MyPlate Food Guide Print ... other sugary drinks. Avoid oversized portions. continue Five Food Groups Different food groups meet different nutrition needs. ...

  20. Photoelectron Spectra of Aqueous Solutions from First Principles

    Energy Technology Data Exchange (ETDEWEB)

    Gaiduk, Alex P.; Govoni, Marco; Seidel, Robert; Skone, Jonathan H.; Winter, Bernd; Galli, Giulia


    We present a combined computational and experimental study of the photoelectron spectrum of a simple aqueous solution of NaCl. Measurements were conducted on microjets, and first-principles calculations were performed using hybrid functionals and many-body perturbation theory at the G0W0 level, starting with wave functions computed in ab initio molecular dynamics simulations. We show excellent agreement between theory and experiments for the positions of both the solute and solvent excitation energies on an absolute energy scale and for peak intensities. The best comparison was obtained using wave functions obtained with dielectric-dependent self-consistent and range-separated hybrid functionals. Our computational protocol opens the way to accurate, predictive calculations of the electronic properties of electrolytes, of interest to a variety of energy problems.

  1. Thermodynamic Modelling of Dolomite Behavior in Aqueous Media

    Directory of Open Access Journals (Sweden)

    Tadeusz Michałowski


    Full Text Available The compact thermodynamic approach to the systems containing calcium, magnesium, and carbonate species is referred to dissolution of dolomite, as an example of nonequilibrium ternary salt when introduced into aqueous media. The study of dolomite is based on all attainable physicochemical knowledge, involved in expressions for equilibrium constants, where the species of the system are interrelated. The species are also involved in charge and concentration balances, considered as constraints put on a closed system, separated from the environment by diathermal walls. The inferences are gained from calculations performed with use of an iterative computer program. The simulated quasistatic processes occurred under isothermal conditions, started at a preassumed pH0 value of the solution where dolomite was introduced, and are usually involved with formation of other solid phases. None simplifying assumptions in the calculations were made.

  2. Rapid structural analysis of nanomaterials in aqueous solutions (United States)

    Ryuzaki, Sou; Tsutsui, Makusu; He, Yuhui; Yokota, Kazumichi; Arima, Akihide; Morikawa, Takanori; Taniguchi, Masateru; Kawai, Tomoji


    Rapid structural analysis of nanoscale matter in a liquid environment represents innovative technologies that reveal the identities and functions of biologically important molecules. However, there is currently no method with high spatio-temporal resolution that can scan individual particles in solutions to gain structural information. Here we report the development of a nanopore platform realizing quantitative structural analysis for suspended nanomaterials in solutions with a high z-axis and xy-plane spatial resolution of 35.8 ± 1.1 and 12 nm, respectively. We used a low thickness-to-diameter aspect ratio pore architecture for achieving cross sectional areas of analyte (i.e. tomograms). Combining this with multiphysics simulation methods to translate ionic current data into tomograms, we demonstrated rapid structural analysis of single polystyrene (Pst) beads and single dumbbell-like Pst beads in aqueous solutions.


    Directory of Open Access Journals (Sweden)



    Full Text Available Calcium chloride is an inorganic salt used in its solid state or as aqueous solutions in a multitude of research and industrial areas going from chemical industry to food, cosmetics or drugs production. This paper was directed to establish mathematical models relating its density and dynamic viscosity with factors such as temperature and concentration since it is known that these properties present a high influence on appropriate transport pipes dimensions and industrial equipment choosing and / or designing processes. The assessment and selection of the adequate models were realized by testing various software’s and equations. The obtained results revealed that calcium chloride aqueous solutions studied thermodynamic properties can accurately be expressed by quadratic (density and respectively by linear equations (dynamic viscosity or by more complex equations. Correlation coefficient, relative error and ANOVA values revealed no significant differences between experimental and calculated data.

  4. Removal of lead from aqueous solutions by condensed tannin gel adsorbent

    Institute of Scientific and Technical Information of China (English)


    Lead has caused serious environmental pollution due toits toxicity, accumulation in food chains and persistence innature. In this paper, lead removal from aqueous solutions wasinvestigated using condensed tannin gel adsorbent synthesized froma natural tannin compound. It is found that the adsorption isstrongly affected by pH values of aqueous solutions. Within pHrange of 3.5-6, when initial lead concentration is 100 mg/L,removal efficiency is more than 90%. Adsorption equilibrium isreached within 150 minutes. The adsorption isotherm fits well withthe Langmuir equation, by which the saturated adsorption uptake of190 mg Pb2+/g dry tannin gel adsorbent is obtained. By means of thermodynamics analysis, it is revealed that the process isexothermic and the adsorption heat is up to 38.4 kJ/mol. Withrespect to high efficiency, moderate pH requirement and minimizedsecond pollution, the tannin gel adsorbent exhibits a promisingpotential in the removal of lead from wastewater.

  5. Pharmaceutical modulation of diffusion potentials at aqueous-aqueous boundaries under laminar flow conditions. (United States)

    Collins, Courtney J; Strutwolf, Jörg; Arrigan, Damien W M


    In this work, the modulation of the diffusion potential formed at the microfluidic aqueous-aqueous boundary by a pharmaceutical substance is presented. Co-flowing aqueous streams in a microchannel were used to form the stable boundary between the streams. Measurement of the open circuit potential between two silver/silver chloride electrodes enabled the diffusion potential at the boundary to be determined, which is concentration dependent. Experimental results for protonated propranolol as well as tetrapropylammonium are presented. This concept may be useful as a strategy for the detection of drug substances.

  6. Folding dynamics of flavin adenine dinucleotide (FAD) inside non-aqueous and aqueous reverse micelles (United States)

    Sengupta, Abhigyan; Gavvala, Krishna; Koninti, Raj Kumar; Chaudhuri, Haribandhu; Hazra, Partha


    Present Letter describes dynamics of FAD in non-aqueous and aqueous reverse micelles (RMs). FAD in non-aqueous reverse micelles (containing MeOH, glycerol, formamide or DMF) shows a prominent rise of quantum yield with increasing solvent loading, whereas in water RM FAD shows a rise in quantum yield only up to w0 = 10 and afterwards drops sharply up to bulk. A relative difference in polarity of dry AOT to solvent loaded RMs can be attributed to the opposite trend of changes in emission. This Letter of FAD in different RMs and its preferential orientation might be useful for understanding FAD dynamics inside flavoproteins.

  7. Adhesion of food-borne bacteria to stainless steel is reduced by food conditioning films

    DEFF Research Database (Denmark)

    Bernbom, Nete; Ng, Yin; Jorgensen, R.L.


    Preconditioning of stainless steel with aqueous cod muscle extract significantly impedes subsequent bacterial adhesion most likely due to repelling effects of fish tropomyosin. The purpose of this study was to determine if other food conditioning films decrease or enhance bacterial adhesion...... to stainless steel. Attachment of Pseudomonas fluorescens AH2 to stainless steel coated with water-soluble coatings of animal origin was significantly reduced as compared with noncoated stainless steel or stainless steel coated with laboratory substrate or extracts of plant origin. Coating with animal extracts...... also decreases adhesion of other food-relevant bacteria. The manipulation of adhesion was not attributable to growth inhibitory effects. Chemical analysis revealed that the stainless steels were covered by homogenous layers of adsorbed proteins. The presence of tropomyocin was indicated by appearance...

  8. Food irradiation and sterilization (United States)

    Josephson, Edward S.

    Radiation sterilization of food (radappertization) requires exposing food in sealed containers to ionizing radiation at absorbed doses high enough (25-70 kGy) to kill all organisms of food spoilage and public health significance. Radappertization is analogous to thermal canning is achieving shelf stability (long term storage without refrigeration). Except for dry products in which autolysis is negligible, the radappertization process also requires that the food be heated to an internal temperature of 70-80°C (bacon to 53°C) to inactivate autolytic enzymes which catalyze spoilage during storage without refrigeration. To minimize the occurence of irradiation induced off-flavors and odors, undesirable color changes, and textural and nutritional losses from exposure to the high doses required for radappertization, the foods are vacuum sealed and irradiated frozen (-40°C to -20°C). Radappertozed foods have the characteristic of fresh foods prepared for eating. Radappertization can substitute in whole or in part for some chemical food additives such as ethylene oxide and nitrites which are either toxic, carcinogenic, mutagenic, or teratogenic. After 27 years of testing for "wholesomeness" (safety for consumption) of radappertized foods, no confirmed evidence has been obtained of any adverse effecys of radappertization on the "wholesomeness" characteristics of these foods.

  9. Mood, food, and obesity

    Directory of Open Access Journals (Sweden)

    Minati eSingh


    Full Text Available Food is a potent natural reward and food intake is a complex process. Reward and gratification associated with food consumption leads to dopamine (DA production, which in turn activates reward and pleasure centers in the brain. An individual will repeatedly eat a particular food to experience this positive feeling of gratification. This type of repetitive behavior of food intake leads to the activation of brain reward pathways that eventually overrides other signals of satiety and hunger. Thus, a gratification habit through a favorable food leads to overeating and morbid obesity. Overeating and obesity stems from many biological factors engaging both central and peripheral systems in a bi-directional manner involving mood and emotions. Emotional eating and altered mood can also lead to altered food choice and intake leading to overeating and obesity. Research findings from human and animal studies support a two-way link between three concepts, mood, food, and obesity. The focus of this article is to provide an overview of complex nature of food intake where various biological factors link mood, food intake, and brain signaling that engages both peripheral and central nervous system signaling pathways in a bi-directional manner in obesity.

  10. [New food allergies]. (United States)

    Dutau, G; Rittié, J L; Rancé, F; Juchet, A; Brémont, F


    RISING INCIDENCE OF FOOD ALLERGIES: Food allergies are becoming more and more common, concerning 3 to 4% of the general population. One out of four persons allergic to nuts, the most frequent food allergen, have severe signs and symptoms. A CLASSICAL DIAGNOSIS: Certain diagnosis of food allergy is established on the basis of labial and oral tests. The dose required to induce a reaction is established by the oral test, giving information about the severity of the allergy and its progression. OTHER ALLERGENS: "Emerging" food allergens include spices and condiments, exotic fruits (kiwi, avocado, cashew and pecan nuts, Brazil nuts), sesame seeds, psyllium, sunflower seeds. Endurance exercise following ingestion of a food allergen can lead to severe anaphylactic reactions. Allergen associations "food-pollen", "latex-food", "mitessnails" have been described. INDISPENSABLE PREVENTION: Avoiding contact is essential. Many allergens are "masked" within prepared foods. Precise labeling, with particular attention to nut content, must be reinforced. Individualized counseling on food allergies should be available for school children. Persons with severe allergies should keep at hand an emergency kit with antihistamines, injectable rapid action corticoids and adrenalin (1 mg/ml).

  11. Applications of artificial neural networks (ANNs) in food science. (United States)

    Huang, Yiqun; Kangas, Lars J; Rasco, Barbara A


    Artificial neural networks (ANNs) have been applied in almost every aspect of food science over the past two decades, although most applications are in the development stage. ANNs are useful tools for food safety and quality analyses, which include modeling of microbial growth and from this predicting food safety, interpreting spectroscopic data, and predicting physical, chemical, functional and sensory properties of various food products during processing and distribution. ANNs hold a great deal of promise for modeling complex tasks in process control and simulation and in applications of machine perception including machine vision and electronic nose for food safety and quality control. This review discusses the basic theory of the ANN technology and its applications in food science, providing food scientists and the research community an overview of the current research and future trend of the applications of ANN technology in the field.

  12. Modeling platinum group metal complexes in aqueous solution. (United States)

    Lienke, A; Klatt, G; Robinson, D J; Koch, K R; Naidoo, K J


    We construct force fields suited for the study of three platinum group metals (PGM) as chloranions in aqueous solution from quantum chemical computations and report experimental data. Density functional theory (DFT) using the local density approximation (LDA), as well as extended basis sets that incorporate relativistic corrections for the transition metal atoms, has been used to obtain equilibrium geometries, harmonic vibrational frequencies, and atomic charges for the complexes. We found that DFT calculations of [PtCl(6)](2-).3H(2)O, [PdCl(4)](2-).2H(2)O, and [RhCl(6)](3-).3H(2)O water clusters compared well with molecular mechanics (MM) calculations using the specific force field developed here. The force field performed equally well in condensed phase simulations. A 500 ps molecular dynamics (MD) simulation of [PtCl(6)](2-) in water was used to study the structure of the solvation shell around the anion. The resulting data were compared to an experimental radial distribution function derived from X-ray diffraction experiments. We found the calculated pair correlation functions (PCF) for hexachloroplatinate to be in good agreement with experiment and were able to use the simulation results to identify and resolve two water-anion peaks in the experimental spectrum.

  13. Ensuring Food Security Through Enhancing Microbiological Food Safety (United States)

    Mikš-Krajnik, Marta; Yuk, Hyun-Gyun; Kumar, Amit; Yang, Yishan; Zheng, Qianwang; Kim, Min-Jeong; Ghate, Vinayak; Yuan, Wenqian; Pang, Xinyi


    Food safety and food security are interrelated concepts with a profound impact on the quality of human life. Food security describes the overall availability of food at different levels from global to individual household. While, food safety focuses on handling, preparation and storage of foods in order to prevent foodborne illnesses. This review focuses on innovative thermal and non-thermal technologies in the area of food processing as the means to ensure food security through improving food safety with emphasis on the reduction and control of microbiological risks. The antimicrobial efficiency and mechanism of new technologies to extend the shelf life of food product were also discussed.

  14. Influence of concentration on the radiolytic decomposition of thiamine, riboflavin, and pyridoxine in aqueous solution

    Directory of Open Access Journals (Sweden)

    Guadalupe Albarrán


    Full Text Available Vitamin loss during irradiation has been claimed as a critical area in food irradiation technology, especially that of thiamine (B1, which has been considered as the most sensitive to radiation. Although it has been suggested that no vitamin deficiency could result from consuming irradiated food, a long debate on the loss of vitamins and other nutrients during food irradiation has been maintained by the lack of experimental studies monitoring decomposition rates at different concentrations and doses. Since thiamine, riboflavin, and pyridoxine are labile vitamins, this study has focused on their radiolytic decomposition in dilute aqueous solutions in the presence of air. The decomposition process was followed by HPLC and UV-spectroscopy. The results obtained in aqueous solutions showed a dependence of the decomposition as a nonlinear function of the dose. Of these three compounds, the decomposition was higher for thiamine than for riboflavin and even less in pyridoxine.

  15. Sensitizers for Aqueous-Based Solar Cells. (United States)

    Li, Chun-Ting; Lin, Ryan Yeh-Yung; Lin, Jiann T


    Aqueous dye-sensitized solar cells (DSSCs) are attractive due to their sustainability, the use of water as a safe solvent for the redox mediators, and their possible applications in photoelectrochemical water splitting. However, the higher tendency of dye leaching by water and the lower wettability of dye molecules are two major obstacles that need to be tackled for future applications of aqueous DSSCs. Sensitizers designed for aqueous DSSCs are discussed based on their functions, such as modification of the molecular skeleton and the anchoring group for better stability against dye leaching by water, and the incorporation of hydrophilic entities into the dye molecule or the addition of a surfactant to the system to increase the wettability of the dye for more facile dye regeneration. Surface treatment of the photoanode to deter dye leaching or improve the wettability of the dye molecule is also discussed. Redox mediators designed for aqueous DSSCs are also discussed. The review also includes quantum-dot-sensitized solar cells, with a focus on improvements in QD loading and suppression of interfacial charge recombination at the photoanode.

  16. Aqueous foams stabilized by chitin nanocrystals

    NARCIS (Netherlands)

    Tzoumaki, M.; Karefyllakis, D.; Moschakis, T.; Biliaderis, C.G.; Scholten, E.


    The aim of the present study was to explore the potential use of chitin nanocrystals, as colloidal rod-like particles, to stabilize aqueous foams. Chitin nanocrystals (ChN) were prepared by acid hydrolysis of crude chitin and foams were generated mainly by sonicating the respective dispersions. The

  17. Tangential Ultrafiltration of Aqueous "Saccharomyces Cerevisiae" Suspensions (United States)

    Silva, Carlos M.; Neves, Patricia S.; Da Silva, Francisco A.; Xavier, Ana M. R. B.; Eusebio, M. F. J.


    Experimental work on ultrafiltration is presented to illustrate the practical and theoretical principles of this separation technique. The laboratory exercise comprises experiments with pure water and with aqueous "Saccharomyces cerevisiae" (from commercial Baker's yeast) suspensions. With this work students detect the characteristic phenomena…

  18. Water & Aqueous Solutions. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)



    The Gordon Research Conference (GRC) on Water & Aqueous Solutions was held at Holderness School, New Hampshire, 8/4/02 thru 8/9/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  19. Aqueous colloidal processing of fluorapatite bodies

    Energy Technology Data Exchange (ETDEWEB)

    Albano, Maria P.; Garrido, Liliana B., E-mail: [Centro de Tecnologia de Recursos Minerales y Ceramica (CETMIC), Provincia de Buenos Aires (Argentina)


    In order to produce stable aqueous fluorapatite (FA) suspensions, its surface reactivity in an aqueous solution having two initial pH values with a concentration of ammonium polyacrylate (NH{sub 4}PA) was investigated as a function of time. The influence of the slip viscosity on the casting rate and the microstructure of the resultant green slip cast compacts was determined. Upon the FA introduction in the aqueous solutions, an initial release of F anions located at the surface was found, which was not dependent of the pH and the presence of dispersant. The increase in the initial pH of the solution above 7 and/or the addition of NH{sub 4}PA markedly reduced the Ca{sup ++}/ H{sup +} exchange reaction rate. As a result, well-stabilized concentrated aqueous suspensions could be obtained at pH close to 9. The greater permeability of cakes produced from slips with high viscosity values (0.5 wt% PVA) increased the casting rate. (author)

  20. Corrosion inhibitor for aqueous ammonia absorption system (United States)

    Phillips, Benjamin A.; Whitlow, Eugene P.


    A method of inhibiting corrosion and the formation of hydrogen and thus improving absorption in an ammonia/water absorption refrigeration, air conditioning or heat pump system by maintaining the hydroxyl ion concentration of the aqueous ammonia working fluid within a selected range under anaerobic conditions at temperatures up to F. This hydroxyl ion concentration is maintained by introducing to the aqueous ammonia working fluid an inhibitor in an amount effective to produce a hydroxyl ion concentration corresponding to a normality of the inhibitor relative to the water content ranging from about 0.015 N to about 0.2 N at C. Also, working fluids for inhibiting the corrosion of carbon steel and resulting hydrogen formation and improving absorption in an ammonia/water absorption system under anaerobic conditions at up to F. The working fluids may be aqueous solutions of ammonia and a strong base or aqueous solutions of ammonia, a strong base, and a specified buffer.

  1. Agriculture, pesticides, food security and food safety

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Fernando P. [Instituto Tecnologico e Nuclear, Departamento de Proteccao Radiologica e Seguranca Nuclear, Estrada Nacional 10, P-2686-953 Sacavem (Portugal)]. E-mail:


    Decades ago, agrochemicals were introduced aiming at enhancing crop yields and at protecting crops from pests. Due to adaptation and resistance developed by pests to chemicals, every year higher amounts and new chemical compounds are used to protect crops, causing undesired side effects and raising the costs of food production. Eventually, new techniques, including genetically modified organisms (GMOs) resistant to pests, could halt the massive spread of agrochemicals in agriculture fields. Biological chemical-free agriculture is gaining also more and more support but it is still not able to respond to the need for producing massive amounts of food. The use of agrochemicals, including pesticides, remains a common practice especially in tropical regions and South countries. Cheap compounds, such as DDT, HCH and lindane, that are environmentally persistent, are today banned from agriculture use in developed countries, but remain popular in developing countries. As a consequence, persistent residues of these chemicals contaminate food and disperse in the environment. Coordinated efforts are needed to increase the production of food but with a view to enhanced food quality and safety as well as to controlling residues of persistent pesticides in the environment.

  2. Reducing food losses by intelligent food logistics. (United States)

    Jedermann, Reiner; Nicometo, Mike; Uysal, Ismail; Lang, Walter


    The need to feed an ever-increasing world population makes it obligatory to reduce the millions of tons of avoidable perishable waste along the food supply chain. A considerable share of these losses is caused by non-optimal cold chain processes and management. This Theme Issue focuses on technologies, models and applications to monitor changes in the product shelf life, defined as the time remaining until the quality of a food product drops below an acceptance limit, and to plan successive chain processes and logistics accordingly to uncover and prevent invisible or latent losses in product quality, especially following the first-expired-first-out strategy for optimized matching between the remaining shelf life and the expected transport duration. This introductory article summarizes the key findings of this Theme Issue, which brings together research study results from around the world to promote intelligent food logistics. The articles include three case studies on the cold chain for berries, bananas and meat and an overview of different post-harvest treatments. Further contributions focus on the required technical solutions, such as the wireless sensor and communication system for remote quality supervision, gas sensors to detect ethylene as an indicator of unwanted ripening and volatile components to indicate mould infections. The final section of this introduction discusses how improvements in food quality can be targeted by strategic changes in the food chain.

  3. The food metabolome

    DEFF Research Database (Denmark)

    Scalbert, Augustin; Brennan, Lorraine; Manach, Claudine


    The food metabolome is defined as the part of the human metabolome directly derived from the digestion and biotransformation of foods and their constituents. With >25,000 compounds known in various foods, the food metabolome is extremely complex, with a composition varying widely according...... to the diet. By its very nature it represents a considerable and still largely unexploited source of novel dietary biomarkers that could be used to measure dietary exposures with a high level of detail and precision. Most dietary biomarkers currently have been identified on the basis of our knowledge of food...... by the recent identification of novel biomarkers of intakes for fruit, vegetables, beverages, meats, or complex diets. Moreover, examples also show how the scrutiny of the food metabolome can lead to the discovery of bioactive molecules and dietary factors associated with diseases. However, researchers still...

  4. Food Retailers and Obesity. (United States)

    Stanton, Rosemary A


    We live in an 'obesogenic environment' where we are constantly bombarded with choices that encourage us to move less and eat more. Many factors influence our dietary choices, including the expert marketers who advise manufacturers on ways to encourage the population to buy more, especially profitable, palatable 'ultra-processed' foods. Supermarkets themselves have become skilled in manipulating buying behaviour, using their layout and specific product placement as well as advertising to maximise purchases of particular foods. Increasingly, supermarkets push their own 'house' brands. Those marketing fast foods also use persuasive tactics to attract customers, especially children who they entice with non-food items such as promotional or collectable toys. There is no mystery to the increase in obesity: our energy intake from foods and drinks has increased over the same period that energy output has decreased. Obesity has a range of relevant factors, but there is little doubt that marketing from supermarkets and fast food retailers has played a role.

  5. Biophysics of food perception (United States)

    Burbidge, Adam S.; Le Révérend, Benjamin J. D.


    In this article, we present food perception across a range of time and length scales as well as across the disciplines of physics, chemistry and biology. We achieve the objective of the article by presenting food from a material science angle as well as presenting the physiology of food perception that enables humans to probe materials in terms of aroma, taste and texture. We highlight that by using simple physical concepts, one can also decipher the mechanisms of transport that link food structure with perception physiology and define the regime in which physiology operates. Most importantly, we emphasise the notion that food/consumer interaction operates across the biological fluid interface grouped under the terminology of mucus, acting as a transfer fluid for taste, aroma and pressure between food and dedicated receptors.

  6. China's food economy in the early 21st Century; Development of China's food economy and its impact on global trade and on the EU

    NARCIS (Netherlands)

    Tongeren, van F.W.; Huang, J.


    Development of Chinese food economy and Chinese agricultural policies. Simulations of future developments in China and in global trade with a model for the Chinese food economy and a model for global trade analysis. Simulation of developments in a 'business as usual' scenario. Assesment of impacts o

  7. The stability of the acetic acid dimer in microhydrated environments and in aqueous solution. (United States)

    Pašalić, Hasan; Tunega, Daniel; Aquino, Adélia J A; Haberhauer, Georg; Gerzabek, Martin H; Lischka, Hans


    The thermodynamic stability of the acetic acid dimer conformers in microhydrated environments and in aqueous solution was studied by means of molecular dynamics simulations using the density functional based tight binding (DFTB) method. To confirm the reliability of this method for the system studied, density functional theory (DFT) and second order Møller-Plesset perturbation theory (MP2) calculations were performed for comparison. Classical optimized potentials for liquid simulations (OPLS) force field dynamics was used as well. One focus of this work was laid on the study of the capabilities of water molecules to break the hydrogen bonds of the acetic acid dimer. The barrier for insertion of one water molecule into the most stable cyclic dimer is found to lie between 3.25 and 4.8 kcal mol(-1) for the quantum mechanical methods, but only at 1.2 kcal mol(-1) for OPLS. Starting from different acetic acid dimer structures optimized in gas phase, DFTB dynamics simulations give a different picture of the stability in the microhydrated environment (4 to 12 water molecules) as compared to aqueous solution. In the former case all conformers are converted to the hydrated cyclic dimer, which remains stable over the entire simulation time of 1 ns. These results demonstrate that the considered microhydrated environment is not sufficient to dissociate the acetic acid dimer. In aqueous solution, however, the DFTB dynamics shows dissociation of all dimer structures (or processes leading thereto) starting after about 50 ps, demonstrating the capability of the water environment to break up the relatively strong hydrogen bridges. The OPLS dynamics in the aqueous environment shows--in contrast to the DFTB results--immediate dissociation, but a similar long-term behavior.

  8. Asymmetrical Self-assembly From Fluorinated and Sulfonated Block Copolymers in Aqueous Media

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaojun [ORNL; Hong, Kunlun [ORNL; Baskaran, Durairaj [University of Tennessee, Knoxville (UTK); Goswami, Monojoy [ORNL; Sumpter, Bobby G [ORNL; Mays, Jimmy [ORNL


    Block copolymers of fluorinated isoprene and partially sulfonated styrene form novel tapered rods and ribbon-like micelles in aqueous media due to a distribution of sulfonation sites and a large Flory-Huggins interaction parameter. A combination of microscopy, light scattering, and simulation demonstrates the presence of these unique nanostructures. This study sheds light on the micellization behavior of amphiphilic block polymers by revealing a new mechanism of self-assembly.

  9. Inactivation of Bacillus cereus and Salmonella enterica serovar Typhimurium by aqueous ozone (O3): Modeling and Uv-Vis spectroscopic analysis (United States)

    Ozone (O3) is a natural antimicrobial agent with potential applications in food industry. In this study, inactivation of Bacillus cereus and Salmonella enterica Typhimurium by aqueous ozone was evaluated. Ozone gas was generated using a domestic ozone generator with an output of 200 mg/hr (approx. 0...

  10. Wild ideas in food

    DEFF Research Database (Denmark)

    Münke, Christopher; Halloran, Afton Marina Szasz; Vantomme, Paul


    Foraging for all manner of wild plants, animals and fungi and their products makes up part of the traditional diets of approximately 300 million worldwide (Bharucha and Pretty, 2010). Furthermore, their relevance in the global food supply is often underestimated, as policies and statistics...... at national and regional levels tend to neglect their importance for food sovereignty and food culture (Bharucha and Pretty, 2010). Foraged plants often grow spontaneously and many exist independent of human interaction (Heywood, 1999)...

  11. Preventing food allergy

    DEFF Research Database (Denmark)

    de Silva, Debra; Panesar, Sukhmeet S; Thusu, Sundeep


    The European Academy of Allergy and Clinical Immunology is developing guidelines about how to prevent and manage food allergy. As part of the guidelines development process, a systematic review is planned to examine published research about the prevention of food allergy. This systematic review...... recommendations. The aim of this systematic review will be to assess the effectiveness of approaches for the primary prevention of food allergy....

  12. Food and visuality

    Directory of Open Access Journals (Sweden)

    Elaine de Azevedo


    Full Text Available This theoretical-conceptual study highlights issues and debates related to food under a socio-political and cultural perspective, from different audiovisual media - cinema, TV, reality shows and Internet videos. The article focuses particularly on movies that mobilize the food as a transversal axis of the plots. The idea is to complexify food as a visual theme and as a sensorial strategy.

  13. Food and drugs


    Đaković-Švajcer Kornelija


    Food can exert a significant influence on the effects of certain drugs. The interactions between food and drugs can be pharmacokinetic and pharmacodynamic. Pharmacokinetic interactions most often take place on absorption and drug metabolism levels. Absorption can be either accelerated or delayed, increased or decreased, while drug metabolism can be either stimulated or inhibited. The factors which influence food-drug interactions are as follows: composition and physic-chemical properties of d...

  14. Gastrointestinal food allergies. (United States)

    Heine, Ralf G


    Gastrointestinal food allergies present during early childhood with a diverse range of symptoms. Cow's milk, soy and wheat are the three most common gastrointestinal food allergens. Several clinical syndromes have been described, including food protein-induced enteropathy, proctocolitis and enterocolitis. In contrast with immediate, IgE-mediated food allergies, the onset of gastrointestinal symptoms is delayed for at least 1-2 hours after ingestion in non-IgE-mediated allergic disorders. The pathophysiology of these non-IgE-mediated allergic disorders is poorly understood, and useful in vitro markers are lacking. The results of the skin prick test or measurement of the food-specific serum IgE level is generally negative, although low-positive results may occur. Diagnosis therefore relies on the recognition of a particular clinical phenotype as well as the demonstration of clear clinical improvement after food allergen elimination and the re-emergence of symptoms upon challenge. There is a significant clinical overlap between non-IgE-mediated food allergy and several common paediatric gastroenterological conditions, which may lead to diagnostic confusion. The treatment of gastrointestinal food allergies requires the strict elimination of offending food allergens until tolerance has developed. In breast-fed infants, a maternal elimination diet is often sufficient to control symptoms. In formula-fed infants, treatment usually involves the use an extensively hydrolysed or amino acid-based formula. Apart from the use of hypoallergenic formulae, the solid diets of these children also need to be kept free of specific food allergens, as clinically indicated. The nutritional progress of infants and young children should be carefully monitored, and they should undergo ongoing, regular food protein elimination reassessments by cautious food challenges to monitor for possible tolerance development.

  15. Retail food wastage


    Eriksson, Mattias


    Food wastage is a problem along the entire food supply chain and gives rise to great financial losses and waste of natural resources. The retail stage of the supply chain contributes significant masses of waste. In order to introduce efficient waste reduction measures, the wastage problem must first be properly described. Causes of wastage need to be identified before potential measures can be designed, tested and evaluated. This thesis quantifies retail food wastage and analyse its causes wi...

  16. Qualities of food


    Harvey, Mark; McMeekin, Andrew; Warde, Alan


    This book addresses current controversial debates about food quality. What is it that makes people decide that food is of good, or alternatively of dubious, 'quality'? How food is produced, how it is prepared, how it tastes and in what circumstances it is consumed are all dimensions of its quality. Chapters address a number of intriguing questions: how do people make judgements about taste?; how do such judgements come to be shared by groups or people?; what social and organisational processe...

  17. Food Safety & Standards

    Institute of Scientific and Technical Information of China (English)


    @@ An increasing number of people have realized that food safety is an important issue for public health. It not only concerns public health and safety, but also has direct influence on national economic progress and social development. The development and implementation of food safety standards play a vital role in protecting public health, as well as in standardizing and facilitating the sound development of food production and business.

  18. Natural food pigments application in food products

    Directory of Open Access Journals (Sweden)

    Emilia Janiszewska-Turak


    Full Text Available Natural pigments, food compounds, are responsible for the colour of the products. These additives can impart, to deepen or renew the colour of the product, if it has been lost while processing. They also improve the taste of the product and facilitate its identification. It is hard to imagine today’s food industry without the use of pigments. Presently, more and more conscious con­sumers are demanding products to be coloured with natural pigments or any pigment added to the final product. Artificial pigments are considered to be harmful and undesirable so food manufacturers focus on the use of natural colour substances. 16 natural pigments are presently permitted to be used. These compounds are: betalains – betanin, quinones – cochineal, flavonoids – anthocyan­ins, isoprenoids – carotene, annatto (bixin, norbixin, paprika extract, lutein, canthaxanthin, porphyrins – chlorophylls and chlorophyllins and copper complexes of these compounds, and others: caramels, curcumin, or plant coal.

  19. Food Blogging For Dummies

    CERN Document Server

    Senyei, Kelly


    Bloggers and foodies everywhere will want this full-color book The only thing better than cooking and eating is talking about it! Combine your two loves—food and blogging—with this ultimate guide for food bloggers everywhere. Food Blogging For Dummies shows you how to join the blogosphere with your own food blog. This unique guide covers everything: how to identify your niche, design your site, find your voice, and create mouthwatering visuals of your best recipes and menus using dazzling lighting and effects. You'll learn how to optimize your blog for search, connect with social m

  20. Keeping food safe. (United States)

    Conde, Crystal


    Legislation passed during this year's legislative session will help the Texas Department of State Health Services (DSHS) identify the source of food-borne illness outbreaks. Senate Bill 81 increases the number of food wholesalers and warehouse operators that must obtain licenses from DSHS. DSHS enforcement activities include follow-up inspections at establishments that have problems, sending warning letters, holding management meetings with the firms, and providing technical assistance. When a food-borne illness outbreak involves a Texas manufacturer, wholesaler, or warehouse, DSHS can recall contaminated products, close establishments temporarily until they can ensure their food is safe or close them permanently, and levy fines.