Molecular-dynamics simulations of urea nucleation from aqueous solution

Science.gov (United States)

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-01

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete. PMID:25492932

Molecular-dynamics simulations of urea nucleation from aqueous solution.

Science.gov (United States)

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-06

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete.

Aqueous solution of basic fuchsin as food irradiation dosimeter

International Nuclear Information System (INIS)

Khan, H.M.; Naz, S.

2007-01-01

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 λ max (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. (authors)

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.

2012-01-01

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...... dioxide at low temperature (2–10°C). The low temperature limits the vaporization of ammonia in the absorber and entails precipitation of ammonium carbonate compounds, thereby allowing high loadings of CO2. The process has thereby good perspectives. However, a scientific understanding and evaluation......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...

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations.

Science.gov (United States)

Higashi, Hidenori; Tokumi, Takuya; Hogan, Christopher J; Suda, Hiroshi; Seto, Takafumi; Otani, Yoshio

2015-06-28

We use a combination of tandem ion mobility spectrometry (IMS-IMS, with differential mobility analyzers), molecular dynamics (MD) simulations, and analytical models to examine both neutral solvent (H2O) and ion (solvated Na(+)) evaporation from aqueous sodium chloride nanodrops. For experiments, nanodrops were produced via electrospray ionization (ESI) of an aqueous sodium chloride solution. Two nanodrops were examined in MD simulations: a 2500 water molecule nanodrop with 68 Na(+) and 60 Cl(-) ions (an initial net charge of z = +8), and (2) a 1000 water molecule nanodrop with 65 Na(+) and 60 Cl(-) ions (an initial net charge of z = +5). Specifically, we used MD simulations to examine the validity of a model for the neutral evaporation rate incorporating both the Kelvin (surface curvature) and Thomson (electrostatic) influences, while both MD simulations and experimental measurements were compared to predictions of the ion evaporation rate equation of Labowsky et al. [Anal. Chim. Acta, 2000, 406, 105-118]. Within a single fit parameter, we find excellent agreement between simulated and modeled neutral evaporation rates for nanodrops with solute volume fractions below 0.30. Similarly, MD simulation inferred ion evaporation rates are in excellent agreement with predictions based on the Labowsky et al. equation. Measurements of the sizes and charge states of ESI generated NaCl clusters suggest that the charge states of these clusters are governed by ion evaporation, however, ion evaporation appears to have occurred with lower activation energies in experiments than was anticipated based on analytical calculations as well as MD simulations. Several possible reasons for this discrepancy are discussed.

Migration kinetics of four photo-initiators from paper food packaging to solid food simulants.

Science.gov (United States)

Cai, Huimei; Ji, Shuilin; Zhang, Juzhou; Tao, Gushuai; Peng, Chuanyi; Hou, Ruyan; Zhang, Liang; Sun, Yue; Wan, Xiaochun

2017-09-01

The migration behaviour of four photo-initiators (BP, EHA, MBP and Irgacure 907) was studied by 'printing' onto four different food-packaging materials (Kraft paper, white cardboard, Polyethylene (PE)-coated paper and composite paper) and tracking movement into the food simulant: Tenax-TA (porous polymer 2,6-diphenyl furan resin). The results indicated that the migration of the photo-initiators was related to the molecular weight and log K o/w of each photo-initiator. At different temperatures, the migration rates of the photo-initiators were different in papers with different thicknesses. The amount of each photo-initiator found in the food was closely related to the food matrix. The Weibull model was used to predict the migration load into the food simulants by calculating the parameters τ and β and determining the relationship of the two parameters with temperature and paper thickness. The established Weibull model was then used to predict the migration of each photo-initiator with respect to different foods. A two-parameter Weibull model fitted the actual situation, with some deviation from the actual migration amount.

Physico-chemical properties of aqueous drug solutions: From the basic thermodynamics to the advanced experimental and simulation results.

Science.gov (United States)

Bellich, Barbara; Gamini, Amelia; Brady, John W; Cesàro, Attilio

2018-04-05

The physical chemical properties of aqueous solutions of model compounds are illustrated in relation to hydration and solubility issues by using three perspectives: thermodynamic, spectroscopic and molecular dynamics simulations. The thermodynamic survey of the fundamental backgrounds of concentration dependence and experimental solubility results show some peculiar behavior of aqueous solutions with several types of similar solutes. Secondly, the use of a variety of experimental spectroscopic devices, operating under different experimental conditions of dimension and frequency, has produced a large amount of structural and dynamic data on aqueous solutions showing the richness of the information produced, depending on where and how the experiment is carried out. Finally, the use of molecular dynamics computational work is presented to highlight how the different types of solute functional groups and surface topologies organize adjacent water molecules differently. The highly valuable contribution of computer simulation studies in providing molecular explanations for experimental deductions, either of a thermodynamic or spectroscopic nature, is shown to have changed the current knowledge of many aqueous solution processes. While this paper is intended to provide a collective view on the latest literature results, still the presentation aims at a tutorial explanation of the potentials of the three methodologies in the field of aqueous solutions of pharmaceutical molecules. Copyright © 2018. Published by Elsevier B.V.

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

International Nuclear Information System (INIS)

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

2016-01-01

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 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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-15

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.

Characterization of aqueous solution of cresol red as food irradiation dosimeter

International Nuclear Information System (INIS)

Khan, H.M.; Tabassum, S.; Wahid, M.S.

2009-01-01

Dilute aqueous solution of cresol red has been evaluated spectrophotometrically as possible gamma rays dosimeter. A 0.10 mM solution of cresol red was irradiated by gamma rays using a cobalt-60 radiation source. The absorbance spectra of the unirradiated and irradiated solutions were recorded using double beam scanning spectrophotometer. The absorbance of the solution before and after irradiation was measured at 434 nm (λ max ) as well as at other wavelengths (415, 448 and 470 nm). Various parameters, such as Absorbance (A), ΔA, %A, -log A and log A o /A i were plotted against radiation dose, in order to check the response of cresol red solution and its possible use as chemical dosimeter. The response plots of A, ΔA, and %A versus absorbed dose showed that the solution can be used as a radiation dosimeter in a dose range up to 0.82 kGy. Using response plots of -log A and log A o /A i , the useful dose range can be extended up to 1.65 kGy; which are useful dose ranges for food irradiation applications. Stability studies of cresol red solution at different light and temperature conditions for pre- and post-irradiated storage of the dosimetric solutions suggested that aqueous solution of cresol red is highly stable in dark, under fluorescence light and at room temperature up to 150 days (author)

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

Science.gov (United States)

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

2009-01-01

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.

Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy.

Science.gov (United States)

Tentscher, Peter R; Seidel, Robert; Winter, Bernd; Guerard, Jennifer J; Arey, J Samuel

2015-01-08

To study the influence of aqueous solvent on the electronic energy levels of dissolved organic molecules, we conducted liquid microjet photoelectron spectroscopy (PES) measurements of the aqueous vertical ionization energies (VIEaq) of aniline (7.49 eV), veratrole alcohol (7.68 eV), and imidazole (8.51 eV). We also reanalyzed previously reported experimental PES data for phenol, phenolate, thymidine, and protonated imidazolium cation. We then simulated PE spectra by means of QM/MM molecular dynamics and EOM-IP-CCSD calculations with effective fragment potentials, used to describe the aqueous vertical ionization energies for six molecules, including aniline, phenol, veratrole alcohol, imidazole, methoxybenzene, and dimethylsulfide. Experimental and computational data enable us to decompose the VIEaq into elementary processes. For neutral compounds, the shift in VIE upon solvation, ΔVIEaq, was found to range from ≈-0.5 to -0.91 eV. The ΔVIEaq was further explained in terms of the influence of deforming the gas phase solute into its solution phase conformation, the influence of solute hydrogen-bond donor and acceptor interactions with proximate solvent molecules, and the polarization of about 3000 outerlying solvent molecules. Among the neutral compounds, variability in ΔVIEaq appeared largely controlled by differences in solute-solvent hydrogen-bonding interactions. Detailed computational analysis of the flexible molecule veratrole alcohol reveals that the VIE is strongly dependent on molecular conformation in both gas and aqueous phases. Finally, aqueous reorganization energies of the oxidation half-cell ionization reaction were determined from experimental data or estimated from simulation for the six compounds aniline, phenol, phenolate, veratrole alcohol, dimethylsulfide, and methoxybenzene, revealing a surprising constancy of 2.06 to 2.35 eV.

The Effect of Food-Simulating Agents on the Bond Strength of Hard Chairside Reline Materials to Denture Base Resin.

Science.gov (United States)

Fatemi, Farzaneh Sadat; Vojdani, Mahroo; Khaledi, Amir Ali Reza

2018-06-08

To investigate the influence of food-simulating agents on the shear bond strength between direct hard liners and denture base acrylic resin. In addition, mode of failure was evaluated. One hundred fifty cylindrical columns of denture base resin were fabricated and bonded to three types of hard reline materials (Hard GC Reline, Tokuyama Rebase II Fast, TDV Cold Liner Rebase). Specimens of each reline material were divided into five groups (n = 10) to undergo 12-day immersion in distilled water, 0.02 N citric acid aqueous solution, heptane, and 40% ethanol/water solution at 37°C. The control group was not immersed in any solution. The shear bond strength test was performed, and the failure mode was determined. Statistics were analyzed with two-way ANOVA and chi-square test (α = 0.05). Significant interaction was found between the hard liners and food simulating agents (p < 0.001). The shear bond strength of Tokuyama in 40% ethanol and TDV in heptane decreased significantly (p = 0.001, p < 0.001 respectively); however, none of the solutions could significantly affect the shear bond strength of Hard GC Reline (p = 0.208). The mixed failure mode occurred more frequently in Hard GC Reline compared with the other liners (p < 0.001) and was predominant in specimens with higher bond strength values (p = 0.012). Food simulating agents did not adversely affect the shear bond strength of Hard GC Reline; however, ethanol and heptane decreased the bond strength of Tokuyama and TDV, respectively. These findings may provide support to dentists to recommend restricted consumption of some foods and beverages for patients who have to use dentures relined with certain hard liners. © 2018 by the American College of Prosthodontists.

Enhanced preference for high-fat foods following a simulated night shift.

Science.gov (United States)

Cain, Sean W; Filtness, Ashleigh J; Phillips, Craig L; Anderson, Clare

2015-05-01

Shift workers are prone to obesity and associated co-morbidities such as diabetes and cardiovascular disease. Sleep restriction associated with shift work results in dramatic endocrine and metabolic effects that predispose shift workers to these adverse health consequences. While sleep restriction has been associated with increased caloric intake, food preference may also play a key role in weight gain associated with shift work. This study examined the impact of an overnight simulated night shift on food preference. Sixteen participants [mean 20.1, standard deviation (SD) 1.4 years; 8 women] underwent a simulated night shift and control condition in a counterbalanced order. On the following morning, participants were provided an opportunity for breakfast that included high- and low-fat food options (mean 64.8% and 6.4% fat, respectively). Participants ate significantly more high-fat breakfast items after the simulated night shift than after the control condition [167.3, standard error of the mean (SEM 28.7) g versus 211.4 (SEM 35.6) g; P=0.012]. The preference for high-fat food was apparent among the majority of individuals following the simulated night shift (81%), but not for the control condition (31%). Shift work and control conditions did not differ, however, in the total amount of food or calories consumed. A simulated night shift leads to preference for high-fat food during a subsequent breakfast opportunity. These results suggest that food choice may contribute to weight-related chronic health problems commonly seen among night shift workers.

Enhanced Bioaccessibility of Curcuminoids in Buttermilk Yogurt in Comparison to Curcuminoids in Aqueous Dispersions.

Science.gov (United States)

Fu, Shishan; Augustin, Mary Ann; Sanguansri, Luz; Shen, Zhiping; Ng, Ken; Ajlouni, Said

2016-03-01

Curcuminoids have low bioavailability due to low aqueous solubility. We compared the bioaccessibility of curcuminoids delivered in buttermilk yogurt to that of curcuminoid powder in an aqueous dispersion. Buttermilk containing added curcuminoids (300 mg/100 g, 0.3% w/w) was used for yogurt manufacture. We measured percentage of curcuminoids remaining in yogurts after manufacture and after exposure to simulated gastrointestinal fluids, and the in vitro bioaccessibility of the curcuminoids. Curcuminoids were stable during yogurt manufacture. At the end of in vitro digestion, approximately 11% of the curcuminoids delivered in yogurt was degraded compared to yogurt was 15-fold more bioaccessible than curcuminoids in aqueous dispersion. The small change in yogurt properties (decrease in total lactic acid bacteria counts of yogurts. © 2016 Institute of Food Technologists®

Characterization of aqueous solution of cresol red as food irradiation dosimeter

Energy Technology Data Exchange (ETDEWEB)

Khan, H M; Tabassum, S; Wahid, M S [Peshawar University, Peshawar (Pakistan). Radiation Chemistry Laboratory, National Centre of Excellence in Physical Chemistry

2009-06-15

Dilute aqueous solution of cresol red has been evaluated spectrophotometrically as possible gamma rays dosimeter. A 0.10 mM solution of cresol red was irradiated by gamma rays using a cobalt-60 radiation source. The absorbance spectra of the unirradiated and irradiated solutions were recorded using double beam scanning spectrophotometer. The absorbance of the solution before and after irradiation was measured at 434 nm ({lambda}{sub max}) as well as at other wavelengths (415, 448 and 470 nm). Various parameters, such as Absorbance (A), {delta}A, %A, -log A and log A{sub o}/A{sub i} were plotted against radiation dose, in order to check the response of cresol red solution and its possible use as chemical dosimeter. The response plots of A, {delta}A, and %A versus absorbed dose showed that the solution can be used as a radiation dosimeter in a dose range up to 0.82 kGy. Using response plots of -log A and log A{sub o}/A{sub i}, the useful dose range can be extended up to 1.65 kGy; which are useful dose ranges for food irradiation applications. Stability studies of cresol red solution at different light and temperature conditions for pre- and post-irradiated storage of the dosimetric solutions suggested that aqueous solution of cresol red is highly stable in dark, under fluorescence light and at room temperature up to 150 days (author)

Ab initio molecular dynamics simulation of aqueous solution of nitric oxide in different formal oxidation states

Science.gov (United States)

Venâncio, Mateus F.; Rocha, Willian R.

2015-10-01

Ab initio molecular dynamics simulations were used to investigate the early chemical events involved in the dynamics of nitric oxide (NOrad), nitrosonium cation (NO+) and nitroxide anion (NO-) in aqueous solution. The NO+ ion is very reactive in aqueous solution having a lifetime of ∼4 × 10-13 s, which is shorter than the value of 3 × 10-10 s predicted experimentally. The NO+ reacts generating the nitrous acid as an intermediate and the NO2- ion as the final product. The dynamics of NOrad revealed the reversibly formation of a transient anion radical species HONOrad -.

In vivo and in vitro antidiabetic effects of aqueous cinnamon extract and cinnamon polyphenol-enhanced food matrix

OpenAIRE

Cheng, Diana M.; Kuhn, Peter; Poulev, Alexander; Rojo, Leonel E.; Lila, Mary Ann; Raskin, Ilya

2012-01-01

Cinnamon has a long history of medicinal use and continues to be valued for its therapeutic potential for improving metabolic disorders such as type 2 diabetes. In this study, a phytochemically-enhanced functional food ingredient that captures water soluble polyphenols from aqueous cinnamon extract (CE) onto a protein rich matrix was developed. CE and cinnamon polyphenol-enriched defatted soy flour (CDSF) were effective in acutely lowering fasting blood glucose levels in diet-induced obese hy...

Fluid dynamics simulation of aqueous humour in a posterior-chamber phakic intraocular lens with a central perforation.

Science.gov (United States)

Kawamorita, Takushi; Uozato, Hiroshi; Shimizu, Kimiya

2012-06-01

A modified implantable collamer lens (ICL) with a central hole (diameter, 0.36 mm), a "Hole-ICL", was created to improve aqueous humour circulation. The aim of this study was to investigate the fluid dynamic characteristics of aqueous humour in a Hole-ICL using computational fluid dynamics. Fluid dynamics simulation using an ICL was performed with thermal-hydraulic analysis software FloEFD V5 (Mentor Graphics Corp.). For the simulation, three-dimensional eye models based on a modified Liou-Brennan model eye with conventional ICL (Model ICM, STAAR SURGICAL) and a Hole-ICL were used. Both ICLs were -9.0 diopters (D) and 12.0 mm in length, with an optic of 5.5 mm. The vaulting was 0.50 mm. The quantity of aqueous humour produced by the ciliary body was set at 2.80 μl/min. Flow distribution between the anterior surface of the crystalline lens and the posterior surface of the ICL was also calculated, and trajectory analysis was performed. The flow velocity 0.25 mm in front of the centre of the crystalline lens was 1.52 × 10(-1) mm/sec for the Hole-ICL and 1.21 × 10(-5) mm/sec for the conventional ICL. Outward flow from the hole in the Hole-ICL was confirmed by trajectory analysis. These results suggest that Hole-ICLs improve the circulation of aqueous humour to the anterior surface of the crystalline lens.

Nanostructured aqueous dispersions of citrem interacting with lipids and PEGylated lipids

DEFF Research Database (Denmark)

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

2013-01-01

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...... ) phase. Based on the SAXS results, the partial replacement of citrem by high amount of MO or PHYT induced the formation of hexosomes. The investigated dispersions of citrem could be attractive as nanocarriers of poorly water-soluble drugs and functional foods.......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...

Numerical Simulation of Non-Thermal Food Preservation

Science.gov (United States)

Rauh, C.; Krauss, J.; Ertunc, Ö.; Delgado, a.

2010-09-01

Food preservation is an important process step in food technology regarding product safety and product quality. Novel preservation techniques are currently developed, that aim at improved sensory and nutritional value but comparable safety than in conventional thermal preservation techniques. These novel non-thermal food preservation techniques are based for example on high pressures up to one GPa or pulsed electric fields. in literature studies the high potential of high pressures (HP) and of pulsed electric fields (PEF) is shown due to their high retention of valuable food components as vitamins and flavour and selective inactivation of spoiling enzymes and microorganisms. for the design of preservation processes based on the non-thermal techniques it is crucial to predict the effect of high pressure and pulsed electric fields on the food components and on the spoiling enzymes and microorganisms locally and time-dependent in the treated product. Homogenous process conditions (especially of temperature fields in HP and PEF processing and of electric fields in PEF) are aimed at to avoid the need of over-processing and the connected quality loss and to minimize safety risks due to under-processing. the present contribution presents numerical simulations of thermofluiddynamical phenomena inside of high pressure autoclaves and pulsed electric field treatment chambers. in PEF processing additionally the electric fields are considered. Implementing kinetics of occurring (bio-) chemical reactions in the numerical simulations of the temperature, flow and electric fields enables the evaluation of the process homogeneity and efficiency connected to different process parameters of the preservation techniques. Suggestions to achieve safe and high quality products are concluded out of the numerical results.

21 CFR 524.1200b - Kanamycin ophthalmic aqueous solution.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Kanamycin ophthalmic aqueous solution. 524.1200b... (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS OPHTHALMIC AND TOPICAL DOSAGE FORM NEW ANIMAL DRUGS § 524.1200b Kanamycin ophthalmic aqueous solution. (a) Specifications. The drug, which is in an aqueous...

Modelling and Simulating multi-echelon food systems

NARCIS (Netherlands)

Vorst, van der J.G.A.J.; Beulens, A.J.M.; Beek, van P.

2000-01-01

This paper presents a method for modelling the dynamic behaviour of food supply chains and evaluating alternative designs of the supply chain by applying discrete-event simulation. The modelling method is based on the concepts of business processes, design variables at strategic and operational

Simulation models for food separation by adsorption process | Aoyi ...

African Journals Online (AJOL)

Separation of simulated industrial food products, by method of adsorption, has been studied. A thermodynamic approach has been applied to study the liquid adsorption where benzene and cyclohexane have been used to simulate edible oils in a system that employs silica gel as the adsorbent. Different models suggested ...

Preparation of graphene/TiO2 composites by nonionic surfactant strategy and their simulated sunlight and visible light photocatalytic activity towards representative aqueous POPs degradation

International Nuclear Information System (INIS)

Li, Kexin; Xiong, Jingjing; Chen, Tong; Yan, Liushui; Dai, Yuhua; Song, Dongyang; Lv, Ying; Zeng, Zhenxing

2013-01-01

Highlights: ► A series of graphene/TiO 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 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

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

DEFF Research Database (Denmark)

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

2016-01-01

. 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...

Childhood education student teachers responses to a simulation game on food security

OpenAIRE

Nadine Felicity Petersen

2014-01-01

This paper provides an account of student teachers responses to a simulation game about food scarcity and how the game served as a conversation starter about the influence of food scarcity on educational provisioning. The simulation game was utilised as part of a suite of activities during an educational excursion for first years in primary school teacher education. In this investigation data were generated via video recordings of the simulation game itself, summary notes of the key points of...

The Food and Agricultural Policy Simulator

OpenAIRE

Salathe, Larry E.; Price, J. Michael; Gadson, Kenneth E.

1982-01-01

This article describes the structure and dynamic properties of the Food and Agricultural Policy Simulator (FAPSIM), an annual econometric model of the US agricultural sector F APSIM estimates a simultaneous price-quantity equilibrium solution for a set of individual commodity models developed for beef, pork, dairy, chickens, eggs, turkeys, corn, oats, barley, gram sorghum, wheat, soybeans, and cotton F APSIM also endogenously determines farm production expenses, cash receipts, net farm Income...

Simulated photoelectron intensities at the aqueous solution–air interface for flat and cylindrical (microjet) geometries

Science.gov (United States)

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

2017-01-01

Ion spatial distributions at the aqueous-air/vacuum interface are accessible by energy-dependent X-ray photoelectron spectroscopy (XPS). Here we quantify the difference between a flat surface and a cylindrical shaped microjet on the energy-dependent information depth of the XPS experiment and on the simulated photoelectron intensities using solutions of pure water and of 1 mol/L NaI as examples. PMID:28203664

Molecular dynamics simulation studies of caffeine aggregation in aqueous solution.

Science.gov (United States)

Tavagnacco, Letizia; Schnupf, Udo; Mason, Philip E; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W

2011-09-22

Molecular dynamics simulations were carried out on a system of eight independent caffeine molecules in a periodic box of water at 300 K, representing a solution near the solubility limit for caffeine at room temperature, using a newly developed CHARMM-type force field for caffeine in water. Simulations were also conducted for single caffeine molecules in water using two different water models (TIP3P and TIP4P). Water was found to structure in a complex fashion around the planar caffeine molecules, which was not sensitive to the water model used. As expected, extensive aggregation of the caffeine molecules was observed, with the molecules stacking their flat faces against one another like coins, with their methylene groups staggered to avoid steric clashes. A dynamic equilibrum was observed between large n-mers, including stacks with all eight solute molecules, and smaller clusters, with the calculated osmotic coefficient being in acceptable agreement with the experimental value. The insensitivity of the results to water model and the congruence with experimental thermodynamic data suggest that the observed stacking interactions are a realistic representation of the actual association mechanism in aqueous caffeine solutions.

Influence of Acidity on Uranyl Nitrate Association in Aqueous Solutions: A Molecular Dynamics Simulation Study

International Nuclear Information System (INIS)

de Almeida, Valmor F.; Cui, Shengting; Khomami, Bamin; Ye, Xianggui; Smith, Rodney Bryan

2010-01-01

Uranyl ion complexation with water and nitrate is a key aspect of the uranium/plutonium extraction process. We have carried out a molecular dynamics simulation study to investigate this complexation process, including the molecular composition of the various complex species, the corresponding structure, and the equilibrium distribution of the complexes. The observed structures of the complexes suggest that in aqueous solution, uranyls are generally hydrated by 5 water molecules in the equatorial plane. When associating with nitrate ions, a water molecule is replaced by a nitrate ion, preserving the five-fold coordination and planar symmetry. Analysis of the pair correlation function between uranyl and nitrate suggests that nitrates bind to uranyl in aqueous solution mainly in a monodentate mode, although a small portion of bidentates occur. Dynamic association and dissociation between uranyls and nitrates take place in aqueous solution with a substantial amount of fluctuation in the number of various uranyl nitrate species. The average number of the uranyl mononitrate complexes shows a dependence on acid concentration consistent with equilibrium-constant analysis, namely, the concentration of [UO2NO3]+ increases with nitric acid concentration.

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.

2015-01-01

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...... and the crustacean Daphnia magna. Algal uptake rate constants (ku) and membrane transport characteristics (binding site density, transporter affinity and strength of binding) were determined after exposing algae to a range of either aqueous Ag or Ag NP concentrations. In general, higher ku values were related......). Ag NPs were only visualised in algal cells exposed to high Ag NP concentrations. To establish D. magna biodynamic model constants, organisms were fed Ag-contaminated algae and depurated for 96 h. Assimilation efficiencies ranged from 10 to 25 % and the elimination of accumulated Ag followed a two...

Effect of high-pressure food processing on the physical properties of synthetic and biopolymer films.

Science.gov (United States)

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

2009-08-01

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.

Graphene oxide/MnO{sub 2} nanocomposite as destructive adsorbent of nerve-agent simulants in aqueous media

Energy Technology Data Exchange (ETDEWEB)

Šťastný, Martin, E-mail: stastny@iic.cas.cz [Materials Chemistry Department, Institute of Inorganic Chemistry AS CR v.v.i., 25068 Husinec-Řež (Czech Republic); Faculty of the Environment, J.E. Purkyně University in Ústí nad Labem, Králova Výšina 7, 400 96 Ústí nad Labem (Czech Republic); Tolasz, Jakub; Štengl, Václav; Henych, Jiří [Materials Chemistry Department, Institute of Inorganic Chemistry AS CR v.v.i., 25068 Husinec-Řež (Czech Republic); Žižka, David [Faculty of the Environment, J.E. Purkyně University in Ústí nad Labem, Králova Výšina 7, 400 96 Ústí nad Labem (Czech Republic)

2017-08-01

Highlights: • Nanocomposite graphene oxide-birnessite-type MnO{sub 2} was synthesized by thermal hydrolysis. • New destructive sorbent for safe degradation of nerve-agent simulants. • 95% degradation activity for DMMP and TEP. - Abstract: Graphene oxide/MnO{sub 2} nanocomposite was prepared by thermal hydrolysis of potassium permanganate (KMnO{sub 4}) and 2-chloroacetamide aqueous solutions with graphene oxide (GO) suspension. The synthesized samples were characterized by specific surface area (BET) and porosity determination (BJH), X-ray Diffraction (XRD) and high-resolution electron microscopes (HRSEM, HRTEM). These nanocomposites were used in an experimental evaluation of their adsorption activity with nerve agent simulants dimethyl methyl phosphonate (DMMP) and triethyl phosphate (TEP) in aqueous media. The nanocomposites exhibited enhanced adsorptive degradation ability compared to pure manganese oxide (MnO{sub 2}) and GO. The GO amount in the nanocomposites affected their degradation activity substantially. The best adsorption efficiency was observed for samples with moderate GO amount. Three methods were used to observe the mechanism of the nerve-agent simulants deactivation: Gas chromatography with mass spectrometry (GC–MS), High-Performance Liquid Chromatography (HPLC) and in situ Infrared spectroscopy (FTIR). It was shown that the hydrolysis on the surface of prepared nanocomposites yields volatile primary alcohols (methanol and ethanol) as the main hydrolysis products.

Migration of components from cork stoppers to food: challenges in determining inorganic elements in food simulants.

Science.gov (United States)

Corona, T; Iglesias, M; Anticó, E

2014-06-18

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.

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

2000-01-01

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 hydratio...

Methylmercury bioaccumulation in invertebrates of boreal streams in Norway: Effects of aqueous methylmercury and diet retention

International Nuclear Information System (INIS)

Wit, Heleen A. de; Kainz, Martin J.; Lindholm, Markus

2012-01-01

Transfer of aqueous methylmercury (MeHg) to primary consumers in aquatic foodwebs is poorly understood despite its importance for bioaccumulation of MeHg. We studied bioaccumulation of MeHg in simple aquatic food chains of two humic boreal streams in relation to streamwater chemistry, food web characteristics and dietary fatty acid (FA) biomarkers. Transfer of aqueous MeHg into primary consumers was similar in both streams, resulting in higher MeHg in consumers in the MeHg-rich stream. Trophic enrichment of MeHg and dietary retention of FA biomarkers was the same in both streams, suggesting that exposure to aqueous MeHg at the base of the food chain determined levels of MeHg in biota. In addition, contents of dietary biomarkers suggested that ingestion of algae reduced MeHg bioaccumulation, while ingestion of bacteria stimulated MeHg uptake. Dietary uptake of bacteria could thus be an important pathway for MeHg-transfer at the bottom of food chains in humic streams. - Highlights: ► We examined MeHg bioaccumulation in simple food chains in two boreal streams. ► Higher MeHg in invertebrates was associated with higher aqueous MeHg. ► Dietary biomarkers showed that consumers in both streams accessed similar food sources. ► We concluded at exposure to aqueous MeHg determined bioaccumulation of MeHg. ► Seasonal variation in MeHg in biota could be related to diet using dietary biomarkers. - Exposure to aqueous methylmercury at the base of the food chain in boreal streams determines mercury in aquatic biota at higher trophic levels.

Childhood education student teachers responses to a simulation game on food security

Directory of Open Access Journals (Sweden)

Nadine Felicity Petersen

2014-07-01

Full Text Available This paper provides an account of student teachers responses to a simulation game about food scarcity and how the game served as a conversation starter about the influence of food scarcity on educational provisioning. The simulation game was utilised as part of a suite of activities during an educational excursion for first years in primary school teacher education. In this investigation data were generated via video recordings of the simulation game itself, summary notes of the key points of the discussion session during the game, and students’ learning portfolios. Analysis of the various data sets indicate that student-teachers’ engaged with the game both viscerally and cerebrally, with the game providing a powerful concrete introduction to the issues of food scarcity and unequal distribution of resources. Most student teachers were able to relate the lessons learned from the game to the classroom and educational situation. In addition, I found that the simulation game as method can assist students in their activity of learning to look at education as an equity and justice issue.

Effects of aqueous stable fullerene nanocrystals (nC60) on the food conversion from Daphnia magna to Danio rerio in a simplified freshwater food chain.

Science.gov (United States)

Tao, Xianji; Li, Cuilan; Zhang, Bo; He, Yiliang

2016-02-01

Understanding the nanomaterial potential to the food conversion of two food chain levels is important in the ecosystem assessment as manufactured nanomaterials are being released into the environment. In this investigation, the food conversion from Daphnia magna (D. magna) (prey) to Danio rerio (D. rerio) (predator) was used as the study object of aqueous stable fullerene nanocrystals (nC60). Accumulated nC60 of D. magna was determined as the nominal initial exposure concentration for D. rerio. The results of 21-d dietary exposure experiment demonstrate that nC60 in D. magna decreased the body weight growths and condition factors of D. rerio, and reduced the food conversion ratio by 20% (from D. magna to D. rerio). Further, the experiments present that nC60 decrease three digestive enzymes activities of trypsinase, lipase, and amylase by 30, 29, and 55% in vivo, and by 60, 90, and 42% in vitro, respectively. Both in vivo and in vitro experiments indicated that nC60 was involved with the decrements of digestive enzymes activities. These decrements in digestive enzymes activities may be due to the deactivation caused by the adsorption of nC60 particles onto the surface or active center of digestive enzymes. Sum up, these results not only describe the nC60 deleterious effects on the food conversion from D. magna to D. rerio, but also provide some information regarding a probable food conversion inhibition mechanism of nC60. Copyright © 2015 Elsevier Ltd. All rights reserved.

Piloting an online grocery store simulation to assess children's food choices.

Science.gov (United States)

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

2016-01-01

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. Copyright © 2015 Elsevier Ltd. All rights reserved.

Hypolipidemic effect of aqueous leaf extract of carmona microphylla ...

African Journals Online (AJOL)

1Department of Pharmacology, Hainan Medical University, School of ... Purpose: To investigate the hypolipidemic effects of the aqueous leaf extract of ... HepG2 liver cells, as well as in high-fat diet (HFD)- and triton WR-1339 ... antidote to food poisoning [14,15]. In the ..... atorvastatin (p.o. 5 mg/kg); C. microphylla aqueous.

A green process for recovery of 1-propanol/2-propanol from their aqueous solutions: Experimental and MD simulation studies

International Nuclear Information System (INIS)

Gupta, Bhupender S.; Taha, Mohamed; Lee, Ming-Jer

2017-01-01

Highlights: • A green conceptual design for separating propanols from their aqueous solutions is proposed. • TRIS is biocompatible and non-volatile and can be used as an auxiliary agent for the separation. • Isobaric VLE data for 1-propanol/2-propanol + water + TRIS were measured at 101.3 kPa. • The azeotropic compositions are significantly shifted in the presence of TRIS. • Intermolecular interactions were studied with fluorescence, COSMO-RS, and MD simulation. - Abstract: In the present study, we have found that a common and relatively inexpensive biological buffer tris(hydroxymethyl)aminomethane (TRIS) is potentially applicable to shift the azeotrope compositions of aqueous solutions of 1-propanol and 2-propanol. By taking the advantage of our findings, we are proposing a green process for the recovery of these organics from their respective aqueous solutions. In order to confirm the effect of TRIS buffer on vapor–liquid equilibrium behavior of the aqueous propanol systems, we measured the isobaric vapor–liquid equilibrium (VLE) data at 101.3 kPa for the 1-proponol + water + TRIS and 2-propanol + water + TRIS systems over the azeotropic range with various concentrations of TRIS (0.02, 0.04, 0.08, and 0.12 in mole fraction). The binary interaction parameters were obtained for TRIS with water, TRIS with 1-propanol, and TRIS with 2-propanol by correlating the new VLE data with the NRTL model. The isobaric VLE properties for the investigated propanol + water mixtures in the presence of various concentrations of TRIS were also predicted with the conductor-like screening model COSMO-RS. Based on the predicted excess molar enthalpies (H E m ) from the COSMO-RS, the interactions between all constituent pairs of molecules were estimated. To explore the mechanism of TRIS-based separation of 1-propanol/2-propanol from their aqueous solutions, the interactions between different pairs of molecules were also investigated by using fluorescence analysis and

Hydrated Electron Transfer to Nucleobases in Aqueous Solutions Revealed by Ab Initio Molecular Dynamics Simulations.

Science.gov (United States)

Zhao, Jing; Wang, Mei; Fu, Aiyun; Yang, Hongfang; Bu, Yuxiang

2015-08-03

We present an ab initio molecular dynamics (AIMD) simulation study into the transfer dynamics of an excess electron from its cavity-shaped hydrated electron state to a hydrated nucleobase (NB)-bound state. In contrast to the traditional view that electron localization at NBs (G/A/C/T), which is the first step for electron-induced DNA damage, is related only to dry or prehydrated electrons, and a fully hydrated electron no longer transfers to NBs, our AIMD simulations indicate that a fully hydrated electron can still transfer to NBs. We monitored the transfer dynamics of fully hydrated electrons towards hydrated NBs in aqueous solutions by using AIMD simulations and found that due to solution-structure fluctuation and attraction of NBs, a fully hydrated electron can transfer to a NB gradually over time. Concurrently, the hydrated electron cavity gradually reorganizes, distorts, and even breaks. The transfer could be completed in about 120-200 fs in four aqueous NB solutions, depending on the electron-binding ability of hydrated NBs and the structural fluctuation of the solution. The transferring electron resides in the π*-type lowest unoccupied molecular orbital of the NB, which leads to a hydrated NB anion. Clearly, the observed transfer of hydrated electrons can be attributed to the strong electron-binding ability of hydrated NBs over the hydrated electron cavity, which is the driving force, and the transfer dynamics is structure-fluctuation controlled. This work provides new insights into the evolution dynamics of hydrated electrons and provides some helpful information for understanding the DNA-damage mechanism in solution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

21 CFR 522.1696b - Penicillin G procaine aqueous suspension.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Penicillin G procaine aqueous suspension. 522... ANIMAL DRUGS § 522.1696b Penicillin G procaine aqueous suspension. (a) Specifications. Each milliliter contains penicillin G procaine equivalent to 300,000 units of penicillin G. (b) Sponsors. See sponsor...

Food for Thought: A Population Simulation Kit. Revised.

Science.gov (United States)

Fletcher, Carol C.

Designed to foster an understanding of some of the relationships among population growth and distribution of people, food, and land area, this simulation kit deals with the following concepts: (1) the finite nature of land and resources, (2) the size and rate of growth of population, (3) the unequal distribution of population throughout the world,…

Phytochemical profiles and antimicrobial activity of aromatic Malaysian herb extracts against food-borne pathogenic and food spoilage microorganisms.

Science.gov (United States)

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

2014-04-01

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. © 2014 Institute of Food Technologists®

Evaluation of performance of food packagings when treated with ionizing radiation

International Nuclear Information System (INIS)

Moura, Esperidiana Augusta Barretos de

2006-01-01

In this study the mechanical properties (tensile strength and percentage elongation at break and penetration resistance), optical properties, gas oxygen and water vapor permeability, the overall migration tests into aqueous food simulant (3% aqueous acetic acid) and fatty food simulant (n-heptane), as well as the formation of volatile radiation product tests were used to evaluate the effects of ionizing radiation (gamma irradiation or electron-beam irradiation) on commercial monolayer and multilayer flexible plastics packaging materials. These films are two typical materials produced in Brazil for industrial meat packaging, one of them is a monolayer low-density polyethylene (LDPE) and other is a multilayer co extruded low-density polyethylene (LDPE), ethylene vinyl alcohol (EVOH), polyamide (PA) based film (LDPE/EVOH/PA). Film samples were irradiated with doses up to 30 kGy, at room temperature and in the presence of air with gamma rays using a 60 Co facility and electron beam from 1.5 MeV electrostatic accelerator. Alterations of these properties were detected according to the dose applied initially eight day after irradiation took place and new alterations of these values when the properties were evaluate two to three months after irradiation process. The results showed that scission reactions are higher than cross-linking process for both studied films, irradiated with gamma rays and electron beam. The evaluated properties of the irradiated films were not affected significantly with the dose range and period studied. The monolayer Unipac PE-60 and the multilayer Lovaflex CH 130 films can be used as food packaging materials for food pasteurization and in the sterilization process of by ionizing radiation using a gamma facilities and electron beam accelerators in commercial scale. (author)

An investigation of dentinal fluid flow in dental pulp during food mastication: simulation of fluid-structure interaction.

Science.gov (United States)

Su, Kuo-Chih; Chuang, Shu-Fen; Ng, Eddie Yin-Kwee; Chang, Chih-Han

2014-06-01

This study uses fluid-structure interaction (FSI) simulation to investigate the relationship between the dentinal fluid flow in the dental pulp of a tooth and the elastic modulus of masticated food particles and to investigate the effects of chewing rate on fluid flow in the dental pulp. Three-dimensional simulation models of a premolar tooth (enamel, dentine, pulp, periodontal ligament, cortical bone, and cancellous bone) and food particle were created. Food particles with elastic modulus of 2,000 and 10,000 MPa were used, respectively. The external displacement loading (5 μm) was gradually directed to the food particle surface for 1 and 0.1 s, respectively, to simulate the chewing of food particles. The displacement and stress on tooth structure and fluid flow in the dental pulp were selected as evaluation indices. The results show that masticating food with a high elastic modulus results in high stress and deformation in the tooth structure, causing faster dentinal fluid flow in the pulp in comparison with that obtained with soft food. In addition, fast chewing of hard food particles can induce faster fluid flow in the pulp, which may result in dental pain. FSI analysis is shown to be a useful tool for investigating dental biomechanics during food mastication. FSI simulation can be used to predict intrapulpal fluid flow in dental pulp; this information may provide the clinician with important concept in dental biomechanics during food mastication.

Migration of DEHP from plastic to food simulants under microwave heating

Science.gov (United States)

Zhu, X.; Li, F.; Qiu, Z. Z.; Huang, J. W.

2017-05-01

The migration of plasticizer DEHP from the plastic products (4 kinds of commonly used plastic food containers under microwave heating: plastic wrap, food bags, ordinary plastic boxes, microwave special plastic boxes) through food contact materials to food simulants (isooctane, 10% ethanol-water solution (v/v), 3% acetic acid-water solution (w/w) and distilled water) was studied under microwave heating (power levels of 400 W). The results shows that the DEHP mobility increases with the increase of microwave heating time, DEHP mobility in isooctane and 3% acetic acid-water solution (w/w) is significantly greater than in 10% ethanol-water solution (v/v) and distilled water; the order of DEHP mobility in isooctane is plastic wrap>food bag>common plastic box>microwave-safe plastic box, while in 3% acetic acid (w/w), the order is food bag>common plastic box>microwave-safe plastic box>plastic wrap.

Concentrated Aqueous Sodium Chloride Solution in Clays at Thermodynamic Conditions of Hydraulic Fracturing: Insight from Molecular Dynamics Simulations.

Czech Academy of Sciences Publication Activity Database

Svoboda, Martin; Lísal, Martin

2018-01-01

Roč. 148, č. 22 (2018), č. článku 222806. ISSN 0021-9606 R&D Projects: GA ČR GA17-25100S EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT Institutional support: RVO:67985858 Keywords : aqueous NaCl solutions * hydrogen bond networks * molecular dynamics simulations Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

Thermodynamic behavior of erythritol in aqueous solutions and in gelatine gels and its quantification

International Nuclear Information System (INIS)

Tyapkova, Oxana; Bader-Mittermaier, Stephanie; Schweiggert-Weisz, Ute

2013-01-01

Highlights: • Differential scanning calorimetry as a method to determine erythritol crystallization. • Determination of crystallization using solution enthalpy. • Erythritol crystallization influenced by area of air–water-interfaces. • DSC method is applicable for both aqueous solutions and gels. • Adaption of DSC method to other, more complex food matrices is possible. - Abstract: As crystallization of erythritol can cause a sandy mouth-feel in sugar-free products, strategies to avoid crystallization or adaption of food formulation should be elucidated. However, until now erythritol crystallization was only quantified in aqueous solutions, but not in model food systems. Differential scanning calorimetry (DSC) is a simple method for the quantification of phase transition in various systems. However, no methods for the quantification of crystallization from aqueous systems based on DSC have been published until now. In the present study DSC was found to be suitable for the quantification of crystallization using supersaturated aqueous solutions of erythritol and erythritol containing gelatine gels for the first time. The developed method was validated by comparing the crystallization values determined by gravimetric measurement of erythritol crystals and the values obtained by DSC. No significant differences (p < 0.05) have been obtained between the results of the two methods if an appropriate design of measurements was applied. Additionally, the method was adapted to gelatine gels to elucidate the transferability to model food systems. Hence, the method is suitable for quantification of the amount of erythritol crystals present in aqueous solutions and gels, respectively

Kinetic modeling and simulation of PCE and TCE removal in aqueous solutions by electron-beam irradiation

International Nuclear Information System (INIS)

Nickelsen, Michael G.; Cooper, William J.; Secker, David A.; Rosocha, Louis A.; Kurucz, Charles N.; Waite, Thomas D.

2002-01-01

The irradiation of aqueous solutions of TCE and PCE using a high-energy electron-beam results in the rapid decomposition of both chemicals. It is known that both TCE and PCE react with the aqueous electron and the hydroxyl radical with bimolecular rate constants greater than 10 9 M -1 s -1 for each reaction. The fact that high-energy electrons produce significant concentrations of both e aq - and ·OH radicals in water makes it an effective process for the removal of TCE and PCE from aqueous solution. We have employed steady state and computer-based chemical kinetic models to simulate and better understand the chemistry and kinetics of e-beam irradiation when applied to natural water systems. Model results were benchmarked to experimental data, allowing for the optimization of the reaction of DOC with the ·OH radical. Values for the associated second-order reaction rate constant were found to be 2.5x10 8 and 4.0x10 8 M -1 s -1 , consistent with reported values for k OH,DOC . The models were also used to investigate the possibility of incomplete irradiation during treatment and the presence of proposed chemical reactions of by-products. The reactions involve radicals and radical-adduct species formed by the reaction of TCE and PCE with the hydroxyl radical

Modes of Disintegration of Solid Foods in Simulated Gastric Environment

Science.gov (United States)

Kong, Fanbin

2009-01-01

A model stomach system was used to investigate disintegration of various foods in simulated gastric environment. Food disintegration modes and typical disintegration profiles are summarized in this paper. Mechanisms contributing to the disintegration kinetics of different foods were investigated as related to acidity, temperature, and enzymatic effect on the texture and changes in microstructure. Food disintegration was dominated by either fragmentation or erosion, depending on the physical forces acting on food and the cohesive force within the food matrix. The internal cohesive forces changed during digestion as a result of water penetration and acidic and enzymatic hydrolysis. When erosion was dominant, the disintegration data (weight retention vs. disintegration time) may be expressed with exponential, sigmoidal, and delayed-sigmoidal profiles. The different profiles are the result of competition among the rates of water absorption, texture softening, and erosion. A linear-exponential equation was used to describe the different disintegration curves with good fit. Acidity and temperature of gastric juice showed a synergistic effect on carrot softening, while pepsin was the key factor in disintegrating high-protein foods. A study of the change of carrot microstructure during digestion indicated that degradation of the pectin and cell wall was responsible for texture softening that contributed to the sigmoidal profile of carrot disintegration. PMID:20401314

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

Science.gov (United States)

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

2014-11-17

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. Copyright © 2014 Elsevier B.V. All rights reserved.

The combined effect of food-simulating solutions, brushing and staining on color stability of composite resins

Science.gov (United States)

Silva, Tânia Mara Da; Sales, Ana Luísa Leme Simões; Pucci, Cesar Rogerio; Borges, Alessandra Bühler; Torres, Carlos Rocha Gomes

2017-01-01

Abstract Objective: This study evaluated the effect of food-simulating media associated with brushing and coffee staining on color stability of different composite resins. Materials and methods: Eighty specimens were prepared for each composite: Grandio SO (Voco), Amaris (Voco), Filtek Z350XT (3M/ESPE), Filtek P90 (3M/ESPE). They were divided into four groups according to food-simulating media for 7 days: artificial saliva (control), heptane, citric acid and ethanol. The composite surface was submitted to 10,950 brushing cycles (200 g load) in an automatic toothbrushing machine. The specimens were darkened with coffee solution at 37 °C for 24 h. After each treatment, color measurements were assessed by spectrophotometry, using CIE L*a*b* system. The overall color change (ΔE) was determined for each specimen at baseline (C1) and after the treatments (food-simulating media immersion/C2, brushing/C3 and dye solution/C4). Data were analyzed by two-way repeated measures ANOVA and Tukey’s tests (p composites (p = .001), time (p = .001) and chemical degradation (p = .002). The mean of ΔE for composites were: Z350XT (5.39)a, Amaris (3.89)b, Grandio (3.75)bc, P90 (3.36)c. According to food-simulating media: heptane (4.41)a, citric acid (4.24)a, ethanol (4.02)ab, artificial saliva (3.76)b. For the treatments: dye solution (4.53)a, brushing (4.26)a, after food-simulating media (3.52)b. Conclusions: The composite resin Filtek Z350XT showed significantly higher staining than all other composite resin tested. The immersion in heptane and citric acid produced the highest color alteration than other food-simulating media. The exposure of samples to brushing protocols and darkening in coffee solution resulted in significant color alteration of the composite resins. PMID:28642926

ε-Caprolactam migration from irradiated PA-6 food packaging: kinetic simulation and measurement

International Nuclear Information System (INIS)

Rosa, Faena Machado Leite; Felix, Juliana; Araujo, Henrique Peres; Monteiro, Magali

2007-01-01

Migration of low molecular mass compounds (LMMC), such as monomers and additives, from plastic packaging into food simulants is a very important issue, concerning public health and chemical contamination of foods. Sterilization of food packaging materials with ionizing radiation is considered an alternative to other sterilization methods, but when polymers are irradiated, LMMC may be formed, as radiolysis products. According to the Brazilian legislation, specific migration tests, such as those of LMMC from packaging into simulants, should be carried out at certain temperature and time, depending on the real conditions of contact. In this work, multilayer flexible films with polyamide 6 (PA-6), used for meat foodstuffs, were studied. The ε-caprolactam (PA-6 monomer) specific migration into acetic acid 3% simulant at 40 deg C during 10 days and at 100 deg C during 30 minutes was performed. The initial monomer level in the irradiated and non irradiated PA-6 films was quantified by high resolution gas chromatography (HRGC). Radiation doses were 3 and 7 kGy. ε-caprolactam specific migration was carried out only with non irradiated films. The results showed that radiation causes a significant change in the monomer level, up or down, depending on the multilayer film type. The kinetic of the ε-caprolactam migration at both temperatures, 40 and 100 deg C was clearly explained by the numerical simulation, combining an Arrhenius equation with the Fick's second law, although this kinetic was not experimentally studied. This simulation allowed to predict diffusion parameters estimates, like diffusion coefficients and activation energies of ε-caprolactam in the films or simulant. (author)

Analysis of phthalate migration to food simulants in plastic containers during microwave operations.

Science.gov (United States)

Moreira, Miriany A; André, Leiliane C; Cardeal, Zenilda L

2013-12-30

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 containers that were used for a prolonged time, which correlated with increasing heating time.

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.

Biochemical and toxicological studies of aqueous extract of ...

African Journals Online (AJOL)

Biochemical and toxicological studies of aqueous extract of Syzigium ... tract diseases and also used as food spices), on some biochemical indices, such as ... liver functions and blood parameters were studied in adult albino rats of both sexes.

Recovery of metals from simulant spent lithium-ion battery as organophosphonate coordination polymers in aqueous media

Energy Technology Data Exchange (ETDEWEB)

Perez, Emilie; Andre, Marie-Laure; Navarro Amador, Ricardo [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Hyvrard, François; Borrini, Julien [SARPI VEOLIA, Direction Technique et Innovations, Zone portuaire de Limay-Porcheville, 427 route du Hazay, 78520 Limay (France); Carboni, Michaël, E-mail: michael.carboni@cea.fr [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Meyer, Daniel [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France)

2016-11-05

Highlights: • Original waste disposal strategies for battery. • Precipitation of metals as coordination polymers. • Organo-phosphonate coordination polymers. • Selective extraction of manganese or co-precipitation of manganese/cobalt. • The recycling process give a promising application on any waste solution. - Abstract: 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.

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

DEFF Research Database (Denmark)

Aschemann-Witzel, Jessica; Hamm, U.

2010-01-01

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 positively...

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.

2009-01-01

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

{epsilon}-Caprolactam migration from irradiated PA-6 food packaging: kinetic simulation and measurement

Energy Technology Data Exchange (ETDEWEB)

Rosa, Faena Machado Leite [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Felix, Juliana; Araujo, Henrique Peres; Monteiro, Magali [UNESP, Araraquara, SP (Brazil). Faculdade de Ciencias Farmaceuticas. Dept. de Alimentos e Nutricao; Padula, Marisa [Instituto de Tecnologia de Alimentos (ITAL), Campinas, SP (Brazil). Centro de Tecnologia de Embalagem; Manzoli, Jose Eduardo [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Universidade Sao Judas Tadeu (USJT), Sao Paulo, SP (Brazil)], E-mail: jmanzoli@ipen.br

2007-07-01

Migration of low molecular mass compounds (LMMC), such as monomers and additives, from plastic packaging into food simulants is a very important issue, concerning public health and chemical contamination of foods. Sterilization of food packaging materials with ionizing radiation is considered an alternative to other sterilization methods, but when polymers are irradiated, LMMC may be formed, as radiolysis products. According to the Brazilian legislation, specific migration tests, such as those of LMMC from packaging into simulants, should be carried out at certain temperature and time, depending on the real conditions of contact. In this work, multilayer flexible films with polyamide 6 (PA-6), used for meat foodstuffs, were studied. The {epsilon}-caprolactam (PA-6 monomer) specific migration into acetic acid 3% simulant at 40 deg C during 10 days and at 100 deg C during 30 minutes was performed. The initial monomer level in the irradiated and non irradiated PA-6 films was quantified by high resolution gas chromatography (HRGC). Radiation doses were 3 and 7 kGy. {epsilon}-caprolactam specific migration was carried out only with non irradiated films. The results showed that radiation causes a significant change in the monomer level, up or down, depending on the multilayer film type. The kinetic of the {epsilon}-caprolactam migration at both temperatures, 40 and 100 deg C was clearly explained by the numerical simulation, combining an Arrhenius equation with the Fick's second law, although this kinetic was not experimentally studied. This simulation allowed to predict diffusion parameters estimates, like diffusion coefficients and activation energies of {epsilon}-caprolactam in the films or simulant. (author)

Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations

Science.gov (United States)

Svoboda, Martin; Lísal, Martin

2018-06-01

To address a high salinity of flow-back water during hydraulic fracturing, we use molecular dynamics (MD) simulations and study the thermodynamics, structure, and diffusion of concentrated aqueous salt solution in clay nanopores. The concentrated solution results from the dissolution of a cubic NaCl nanocrystal, immersed in an aqueous NaCl solution of varying salt concentration and confined in clay pores of a width comparable to the crystal size. The size of the nanocrystal equals to about 18 Å which is above a critical nucleus size. We consider a typical shale gas reservoir condition of 365 K and 275 bar, and we represent the clay pores as pyrophyllite and Na-montmorillonite (Na-MMT) slits. We employ the Extended Simple Point Charge (SPC/E) model for water, Joung-Cheatham model for ions, and CLAYFF for the slit walls. We impose the pressure in the normal direction and the resulting slit width varies from about 20 to 25 Å when the salt concentration in the surrounding solution increased from zero to an oversaturated value. By varying the salt concentration, we observe two scenarios. First, the crystal dissolves and its dissolution time increases with increasing salt concentration. We describe the dissolution process in terms of the number of ions in the crystal, and the crystal size and shape. Second, when the salt concentration reaches a system solubility limit, the crystal grows and attains a new equilibrium size; the crystal comes into equilibrium with the surrounding saturated solution. After crystal dissolution, we carry out canonical MD simulations for the concentrated solution. We evaluate the hydration energy, density profiles, orientation distributions, hydrogen-bond network, radial distribution functions, and in-plane diffusion of water and ions to provide insight into the microscopic behaviour of the concentrated aqueous sodium chloride solution in interlayer galleries of the slightly hydrophobic pyrophyllite and hydrophilic Na-MMT pores.

Radiation response of vitamin A in aqueous dispersions

International Nuclear Information System (INIS)

Bhushan, B.; Kumta, U.S.

1977-01-01

The radiation destruction of vitamin A acetate was monitored in isooctane, coconut oil, and aqueous dispersions. The G(-vit. A), i.e., the number of vitamin A molecules destroyed per 100 eV of energy absorbed in lipid solvents and aqueous preparations, increased with the concentrations of vitamin A used. In the freely dissolved state, as in isooctane or coconut oil, the extent of destruction of vitamin A was more or less identical. However, a marked reduction in the radiation destruction of vitamin A was observed in aqueous dispersions at all concentrations except at 1 x 10 -4 M. Incorporation of sugars, starch, and egg albumin in aqueous preparations offered considerable protection to vitamin A from radiation damage which could be discerned even at the lowest concentration (1 x 10 -4 M). The protective influence of aqueous dispersion as noted for vitamin A was also observed for β-carotene, vitamin A alcohol, and ubiquinone-30. The significance of the above findings in radiation processing of foods has been discussed

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

Directory of Open Access Journals (Sweden)

Miriany A. Moreira

2013-12-01

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

Suitability of polystyrene as a functional barrier layer in coloured food contact materials.

Science.gov (United States)

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

2015-01-01

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.

Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations.

Science.gov (United States)

Duboué-Dijon, Elise; Mason, Philip E; Fischer, Henry E; Jungwirth, Pavel

2018-04-05

Magnesium and zinc dications possess the same charge and have an almost identical size, yet they behave very differently in aqueous solutions and play distinct biological roles. It is thus crucial to identify the origins of such different behaviors and to assess to what extent they can be captured by force-field molecular dynamics simulations. In this work, we combine neutron scattering experiments in a specific mixture of H 2 O and D 2 O (the so-called null water) with ab initio molecular dynamics simulations to probe the difference in the hydration structure and ion-pairing properties of chloride solutions of the two cations. The obtained data are used as a benchmark to develop a scaled-charge force field for Mg 2+ that includes electronic polarization in a mean field way. We show that using this electronic continuum correction we can describe aqueous magnesium chloride solutions well. However, in aqueous zinc chloride specific interaction terms between the ions need to be introduced to capture ion pairing quantitatively.

Water structure and aqueous uranyl(VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations.

Science.gov (United States)

Greathouse, Jeffery A; Cygan, Randall T

2006-06-15

Molecular dynamics simulations were performed to provide a systematic study of aqueous uranyl adsorption onto the external surface of 2:1 dioctahedral clays. Our understanding of this key process is critical in predicting the fate of radioactive contaminants in natural groundwaters. These simulations provide atomistic detail to help explain experimental trends in uranyl adsorption onto natural media containing smectite clays. Aqueous uranyl concentrations ranged from 0.027 to 0.162 M. Sodium ions and carbonate ions (0.027-0.243 M) were also present in the aqueous regions to more faithfully model a stream of uranyl-containing groundwater contacting a mineral system comprised of Na-smectite. No adsorption occurred near the pyrophyllite surface, and there was little difference in uranyl adsorption onto the beidellite and montmorillonite, despite the difference in location of clay layer charge between the two. At low uranyl concentration, the pentaaquouranyl complex dominates in solution and readily adsorbs to the clay basal plane. At higher uranyl (and carbonate) concentrations, the mono(carbonato) complex forms in solution, and uranyl adsorption decreases. Sodium adsorption onto beidellite occurred both as inner- and outer-sphere surface complexes, again with little effect on uranyl adsorption. Uranyl surface complexes consisted primarily of the pentaaquo cation (85%) and to a lesser extent the mono(carbonato) species (15%). Speciation diagrams of the aqueous region indicate that the mono(carbonato)uranyl complex is abundant at high ionic strength. Oligomeric uranyl complexes are observed at high ionic strength, particularly near the pyrophyllite and montmorillonite surfaces. Atomic density profiles of water oxygen and hydrogen atoms are nearly identical near the beidellite and montmorillonite surfaces. Water structure therefore appears to be governed by the presence of adsorbed ions and not by the location of layer charge associated with the substrate. The water

Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

Science.gov (United States)

Hughes, Zak E.; Tomásio, Susana M.; Walsh, Tiffany R.

2014-04-01

To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter-operability with known biological FFs, is a pivotal requirement. Here, we present and apply such a force-field, GRAPPA, designed to work with the CHARMM FF. GRAPPA is an efficiently implemented polarisable force-field, informed by extensive plane-wave DFT calculations using the revPBE-vdW-DF functional. GRAPPA adequately recovers the spatial and orientational structuring of the aqueous interface of graphene and carbon nanotubes, compared with more sophisticated approaches. We apply GRAPPA to determine the free energy of adsorption for a range of amino acids, identifying Trp, Tyr and Arg to have the strongest binding affinity and Asp to be a weak binder. The GRAPPA FF can be readily incorporated into mainstream simulation packages, and will enable large-scale polarisable biointerfacial simulations at graphitic interfaces, that will aid the development of biomolecule-mediated, solution-based graphene processing and self-assembly strategies.To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter

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.

2003-01-01

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

Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions

Energy Technology Data Exchange (ETDEWEB)

Brown, M A; D' Auria, R; Kuo, I W; Krisch, M J; Starr, D E; Bluhm, H; Tobias, D J; Hemminger, J C

2008-04-23

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{sup -} to K{sup +} 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, and this is consistent with the depletion of F{sup -} 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 a potassium fluoride aqueous 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.

The chemical behaviour and ecological transfer in the human food chain of some radionuclides in aqueous ecosystems

International Nuclear Information System (INIS)

Furnica, Gh.

1980-01-01

The aqueous ecosystem of the Danube has been investigated in the period of 1976-1979. Data on the ecological transfer of radionuclides in the human food chain made an estimation available on the risk of the affected population. In the assessment of population exposure, the internal radiation dose for a period of one year and the continuous external irradiation determined by TLD have been considered. - The results revealed very low Sr-90 and Cs-137 contents in the Danube water and in the drinking water. The radioactivity contents are higher in the sediment and in some biota than in the water. The H-3 content in the Danube water varies in a wider range and higher concentration was found in fish than in the water. Both the Danube sediment and the irrigated sandy soil contain very low concentrations of fission products. During 1976-1979, the radioiodine content in air, milk and cow thyroid around the 679-Km is continuously decreasing. - Based on the data obtained, the corresponding collective dose equivalent value was calculated and the risk on the health of the population was found to be very low from contamination during 1975-1978. The radioactivity concentration values in critical human food chain, however, are not negligible. (author)

Simulation study ε-Caprolactam monomer and metallic elements migration from irradiated polymeric packaging into food stimulants

International Nuclear Information System (INIS)

Rosa, Faena Machado Leite

2008-01-01

For decades migration study of chemical compounds from packaging into food, such as metals, residual monomers and additives, is a very important issue, concerning public health and minimize chemical contamination. In this work, it was done irradiations of packagings taken in contact with food simulant, and it was studied this migration through a mathematical model of the diffusion process, compiled in a computational simulation method in order to study the microscopic behavior of migration of metallic elements cadmium, chromium, antimony and cobalt, present in metallic plastics from dairy product packagings, and also the migration of - caprolactam monomer, present in nylon polymeric plastics used for package meat stuffs, to the food simulant acetic acid 3%. The results from simulations of the migration of -caprolactam monomer were compared with experimental results obtained from high resolution gas chromatography (HRGC) measurements, and the simulation of metallic elements migration were compared with the neutron activation analysis measurements (NAA). These experimental results were performed and kindly informed by another research groups, partners in this project. The food packaging system was discretized in one-dimension space and in time and the partial differential equation that defines the diffusive process, the second 'Fick's law', together with an equation of Arrhenius type dealing with the thermal influence, were solved using finite differences. The final step of the resolution was a tridiagonal linear system, solved using the Thomas algorithm. It was studied, and in some cases even foreseen, experimental quantities, like the diffusion coefficient, activation energy and concentration profile of migrant compounds, allowing the understanding of the diffusion process and the quantitative estimate of the migration of such compounds under ionizing radiation influence. Variation on the initial concentration levels (C 0 ) of the monomer inside the packaging

Experimental research on intraocular aqueous flow by PIV method.

Science.gov (United States)

Yang, Hongyu; Song, Hongfang; Mei, Xi; Li, Lin; Fu, Xineng; Zhang, Mindi; Liu, Zhicheng

2013-10-21

Aqueous humor flows regularly from posterior chamber to anterior chamber, and this flow much involves intraocular pressure, the eye tissue nutrition and metabolism. To visualize and measure the intraocular flow regular pattern of aqueous humor. Intraocular flow in the vitro eyeball is driven to simulate the physiological aqueous humor flow, and the flow field is measured by Particle Image Velocimetry(PIV). Fluorescent particle solution of a certain concentration was infused into the root of Posterior Chamber(PC) of vitro rabbit eye to simulate the generation of aqueous and was drained out at a certain hydrostatic pressure from the angle of Anterior Chamber(AC) to represent the drainage of aqueous. PIV method was used to record and calculate the flow on the midsagittal plane of the eyeball. Velocity vector distribution in AC has been obtained, and the distribution shows symmetry feature to some extent. Fluorescent particle solution first fills the PC as it is continuously infused, then surges into AC through the pupil, flows upwards toward the central cornea, reflecting and scattering, and eventually converges along the inner cornea surface towards the outflow points at the periphery of the eyeball. Velocity values around the pupillary margin are within the range of 0.008-0.012 m/s, which are close to theoretical values of 0.0133 m/s, under the driving rate of 100 μl/min. Flow field of aqueous humor can be measured by PIV method, which makes it possible to study the aqueous humor dynamics by experimental method. Our study provides a basis for experimental research on aqueous humor flow; further, it possibly helps to diagnose and treat eye diseases as shear force damage of ocular tissues and destructions on corneal endothelial cells from the point of intraocular flow field.

Optimization of aqueous extraction process to enhance the ...

African Journals Online (AJOL)

Kumar Sudhir

2014-02-12

Feb 12, 2014 ... Aqueous extraction process was optimized to reduce endotoxins from mixed ... management and minimizes the initial capital costs for ... of about 40%, was suggested to be an economic ... industry and as the nutraceutical food for human due to ... economical production of industrial enzymes and as feed.

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

Directory of Open Access Journals (Sweden)

Dorota Gryglik

2016-01-01

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.

Comparison of simulation and experimental results for a model aqueous tert-butanol solution

Science.gov (United States)

Overduin, S. D.; Patey, G. N.

2017-07-01

Molecular dynamics simulations are used to investigate the behavior of aqueous tert-butanol (TBA) solutions for a range of temperatures, using the CHARMM generalized force field (CGenFF) to model TBA and the TIP4P/2005 or TIP4P-Ew water model. Simulation results for the density, isothermal compressibility, constant pressure heat capacity, and self-diffusion coefficients are in good accord with experimental measurements. Agreement with the experiment is particularly good at low TBA concentration, where experiments have revealed anomalies in a number of thermodynamic properties. Importantly, the CGenFF model does not exhibit liquid-liquid demixing at temperatures between 290 and 320 K (for systems of 32 000 molecules), in contrast with the situation for several other common TBA models [R. Gupta and G. N. Patey, J. Chem. Phys. 137, 034509 (2012)]. However, whereas real water and TBA are miscible at all temperatures where the liquid is stable, we observe some evidence of demixing at 340 K and above. To evaluate the structural properties at low concentrations, we compare with both neutron scattering and recent spectroscopic measurements. This reveals that while the CGenFF model is a definite improvement over other models that have been considered, the TBA molecules still exhibit a tendency to associate at low concentrations that is somewhat stronger than that indicated by experiments. Finally, we discuss the range and decay times of the long-range correlations, providing an indication of the system size and simulation times that are necessary in order to obtain reliable results for certain properties.

Norovirus Transmission between Hands, Gloves, Utensils, and Fresh Produce during Simulated Food Handling

Science.gov (United States)

Aho, E.; Mikkelä, A.; Ranta, J.; Tuominen, P.; Rättö, M.; Maunula, L.

2014-01-01

Human noroviruses (HuNoVs), a leading cause of food-borne gastroenteritis worldwide, are easily transferred via ready-to-eat (RTE) foods, often prepared by infected food handlers. In this study, the transmission of HuNoV and murine norovirus (MuNoV) from virus-contaminated hands to latex gloves during gloving, as well as from virus-contaminated donor surfaces to recipient surfaces after simulated preparation of cucumber sandwiches, was inspected. Virus transfer was investigated by swabbing with polyester swabs, followed by nucleic acid extraction from the swabs with a commercial kit and quantitative reverse transcription-PCR. During gloving, transfer of MuNoV dried on the hand was observed 10/12 times. HuNoV, dried on latex gloves, was disseminated to clean pairs of gloves 10/12 times, whereas HuNoV without drying was disseminated 11/12 times. In the sandwich-preparing simulation, both viruses were transferred repeatedly to the first recipient surface (left hand, cucumber, and knife) during the preparation. Both MuNoV and HuNoV were transferred more efficiently from latex gloves to cucumbers (1.2% ± 0.6% and 1.5% ± 1.9%) than vice versa (0.7% ± 0.5% and 0.5% ± 0.4%). We estimated that transfer of at least one infective HuNoV from contaminated hands to the sandwich prepared was likely to occur if the hands of the food handler contained 3 log10 or more HuNoVs before gloving. Virus-contaminated gloves were estimated to transfer HuNoV to the food servings more efficiently than a single contaminated cucumber during handling. Our results indicate that virus-free food ingredients and good hand hygiene are needed to prevent HuNoV contamination of RTE foods. PMID:24951789

Determination of migration of phosphorus-based additives from food packaging material into food-simulating solvents by neutron activation/Cerenkov counting

International Nuclear Information System (INIS)

Lickly, T.D.; Quinn, T.; Blanchard, F.A.; Murphy, P.G.

1988-01-01

Samples of food-simulating solvents exposed to food-packaging materials that contain phosphorus-based additives have been examined for migration of phosphorus-containing compounds from the packaging material, using neutron activation/Cerenkov counting. This method has the advantage that commercially produced packaging materials can be used (no elaborate sample preparation as with other radiotracer methods) and no elaborate sample processing techniques are needed to reach the desired levels (low ng/mL) as is usual with most chromatographic or spectroscopic techniques. (author)

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

2016-10-01

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.

Foam separation of Cu (II) and Ni(II) from aqueous solutions and simulated wastewaters

International Nuclear Information System (INIS)

Shakir, K.; Beheir, Sh.G.; Aziz, M.

2003-01-01

Batch experiments on the removal of Cu(II) and Ni(II) from aqueous solutions were performed through two foam separation techniques: precipitate flotation (PTF) an adsorbing colloid flotation (ACF). In ACF, Fe(III), oxyhydroxide was used as co precipitant and/or adsorbing colloid and sodium lauryl sulfate was used as a collector. ACF required a lower collector concentration than PTF. foreign ions were found to decrease the percent removal, the extent of decrease being higher by divalent ions than that by monovalent ones. However, the percent removal could be improved, even in presence of foreign ions, by addition of Al(II) as an activator. High removals could be attained for Cu(II) and Ni(II) from simulated wastewaters containing different concentrations of both metal ions. The addition of concentrations below the limits recommended by the egyptian regulations for environmental discharge

Evaluation of element migration from food plastic packagings into simulated solutions using radiometric method

International Nuclear Information System (INIS)

Soares, Eufemia Paez; Saiki, Mitiko; Wiebeck, Helio

2005-01-01

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 12 n cm -2 s -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)

Enhancing food engineering education with interactive web-based simulations

Directory of Open Access Journals (Sweden)

Alexandros Koulouris

2015-04-01

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.

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

Science.gov (United States)

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

2015-08-05

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.

Optimizing cropland cover for stable food production in Sub-Saharan Africa using simulated yield and Modern Portfolio Theory

Science.gov (United States)

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

2014-12-01

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.

Simulation of Food Folate Digestion and Bioavailability of an Oxidation Product of 5-Methyltetrahydrofolate.

Science.gov (United States)

Ringling, Christiane; Rychlik, Michael

2017-09-01

Generating bioavailability data from in vivo studies is time-consuming and expensive. In vitro simulation can help to investigate factors influencing bioavailability or facilitate quantifying the impact of such factors. For folates, an efficient deconjugation of polyglutamates to the corresponding monoglutamates is crucial for bioavailability and highly dependent on the food matrix. Therefore, the bioaccessibility of folates of different foodstuffs was examined using a simulated digestion model with respect to folate stability and the efficiency of deconjugation. For realistic simulated deconjugation, porcine brush border membrane was used during the phase of the simulated digestion in the small intestine. For a better understanding of folate behaviour during digestion, single folate monoglutamates were also investigated with this in vitro digestion model. The results for bioaccessibility were compared with data from a human bioavailability study. They support the idea that both stability and deconjugation have an influence on bioaccessibility and thus on bioavailability. Tetrahydrofolate is probably lost completely or at least to a high extent and the stability of 5-methyltetrahydrofolate depends on the food matrix. Additionally, 5-methyltetrahydrofolate can be oxidised to a pyrazino-s-triazine (MeFox), whose absorption in the human intestinal tract was shown tentatively.

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.

2009-01-01

of proteins with similar molecular weight based in sodium dodecyl sulfate-polyacrylamide gel electrophoresis, in several extracts that reduced adhesion but also extracts not containing this protein reduced bacterial adhesion, indicating that several molecular species may be involved in the phenomenon....... It is a common perception that food materials facilitate bacterial adhesion to surfaces; however, this study demonstrates that aqueous coatings of food origin may actually reduce bacterial adhesion. Compounds from food extracts may potentially be used as nontoxic coatings to reduce bacterial attachment to inert...

Computer simulation for improving radio frequency (RF) heating uniformity of food products: A review.

Science.gov (United States)

Huang, Zhi; Marra, Francesco; Subbiah, Jeyamkondan; Wang, Shaojin

2018-04-13

Radio frequency (RF) heating has great potential for achieving rapid and volumetric heating in foods, providing safe and high-quality food products due to deep penetration depth, moisture self-balance effects, and leaving no chemical residues. However, the nonuniform heating problem (usually resulting in hot and cold spots in the heated product) needs to be resolved. The inhomogeneous temperature distribution not only affects the quality of the food but also raises the issue of food safety when the microorganisms or insects may not be controlled in the cold spots. The mathematical modeling for RF heating processes has been extensively studied in a wide variety of agricultural products recently. This paper presents a comprehensive review of recent progresses in computer simulation for RF heating uniformity improvement and the offered solutions to reduce the heating nonuniformity. It provides a brief introduction on the basic principle of RF heating technology, analyzes the applications of numerical simulation, and discusses the factors influencing the RF heating uniformity and the possible methods to improve heating uniformity. Mathematical modeling improves the understanding of RF heating of food and is essential to optimize the RF treatment protocol for pasteurization and disinfestation applications. Recommendations for future research have been proposed to further improve the accuracy of numerical models, by covering both heat and mass transfers in the model, validating these models with sample movement and mixing, and identifying the important model parameters by sensitivity analysis.

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

Directory of Open Access Journals (Sweden)

Cristina Félez

2015-07-01

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.

Aqueous Two-Phase Systems: A New Approach for the Determination of Brilliant Blue FCF in Water and Food Samples

Directory of Open Access Journals (Sweden)

Sabah Shiri

2013-01-01

Full Text Available A novel, simple, and more sensitive spectrophotometric procedure has been developed for the determination of brilliant blue FCF in water and food samples by an aqueous two-phase system (ATPS. In this method, adequate amount of polyethylene glycol/ sodium carbonate (PEG-4000/Na2CO3 was added to aqueous solution for formation of a homogeneous solution. To the mixture solution, suitable amount of Na2CO3 was added, the mixture solution was shaken until the salt was dissolved, and then it was separated into two clear phases easily and rapidly. The target analyte in the water sample was extracted into the polyethylene glycol phase. After extraction, measuring the absorbance at 634 nm was done. The effects of different parameters such as polyethylene glycol (type and concentration, pH, salt (type and amount, centrifuge time, and temperature on the ATPS of dye was investigated and optimum conditions were established. Linear calibration curves were obtained in the range of 0.25–750 ng/mL for brilliant blue FCF under optimum conditions. Detection limit based on three times the standard deviation of the blank (3Sb was 0.12 ng/mL. The relative standard deviation (RSD for 400 ng/mL was 3.14%. The method was successfully applied to the determination of brilliant blue FCF in spiked samples with satisfactory results. The relative recovery was between 96.0 and 102.2%.

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

International Nuclear Information System (INIS)

Ansari, R.; Ajori, S.; Ameri, A.

2016-01-01

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.

Studies on dissolution characteristics of simulated corrosion products on pressurized water reactor primary coolant loops. Pt.2: Cobalt simulated corrosion product

International Nuclear Information System (INIS)

Li Shan; Zhou Xianyu

1997-01-01

The studies on the dissolution characteristics of simulated corrosion product of cobalt on pressurized water reactor primary coolant loops in aqueous solution of citric acid, hydrogen peroxide and citric acid-hydrogen peroxide have been performed. The results show that the portion of the dissolved simulated corrosion product of cobalt in citric acid aqueous solution clearly increases with a rise in citric acid concentration and is ten times above the corresponding value of iron. The portion of the products that dissolve is the largest at pH 3.00 in the pH range of 2.33∼4.50 and at 70 degree C in the range of 60∼80 degree C. It is shown that the portion of the dissolved simulated corrosion product of cobalt in hydrogen peroxide aqueous solution is smaller than the corresponding value in citric acid, and that the portion of the dissolved simulated corrosion product of cobalt in aqueous solution of hydrogen peroxide-citric acid is larger than the corresponding value in single citric acid aqueous solution

Sociality, selection, and survival: Simulated evolution of mortality with intergenerational transfers and food sharing

OpenAIRE

Lee, Ronald

2008-01-01

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 w...

Aqueous Extract of Ipomoea batatas Reduces Food Intake in Male ...

African Journals Online (AJOL)

have examined the effects on satiety, that is, how fixed amounts of carbohydrate or ... can reduce food intake: High-fiber foods take longer to eat; fiber decreases ... oxidative stress and to prevent the development of chronic diseases (such as ...

Dynamic analysis of bulk-fill composites: Effect of food-simulating liquids.

Science.gov (United States)

Eweis, Ahmed Hesham; Yap, Adrian U-Jin; Yahya, Noor Azlin

2017-10-01

This study investigated the effect of food simulating liquids on visco-elastic properties of bulk-fill restoratives using dynamic mechanical analysis. One conventional composite (Filtek Z350 [FZ]), two bulk-fill composites (Filtek Bulk-fill [FB] and Tetric N Ceram [TN]) and a bulk-fill giomer (Beautifil-Bulk Restorative [BB]) were evaluated. Specimens (12 × 2 × 2mm) were fabricated using customized stainless steel molds. The specimens were light-cured, removed from their molds, finished, measured and randomly divided into six groups. The groups (n = 10) were conditioned in the following mediums for 7 days at 37°C: air (control), artificial saliva (SAGF), distilled water, 0.02N citric acid, heptane, 50% ethanol-water solution. Specimens were assessed using dynamic mechanical testing in flexural three-point bending mode and their respective mediums at 37°C and a frequency range of 0.1-10Hz. The distance between the supports were fixed at 10mm and an axial load of 5N was employed. Data for elastic modulus, viscous modulus and loss tangent were subjected to ANOVA/Tukey's tests at significance level p food-simulating liquids on the visco-elastic properties of bulk-fill composites was material and medium dependent. Copyright © 2017 Elsevier Ltd. All rights reserved.

Progress modelling of aqueous electrons and hydroxyl radicals in RAIM code

Energy Technology Data Exchange (ETDEWEB)

Kim, A Yeong; Kim, Han-Chul; Lee, Jongseong [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2015-10-15

In this paper, the RAIM code was revised minutely with regards to aqueous electrons and hydroxyl radicals, and simulated the P10T2 test. The recent study indicated that the RAIM had the potential for improvement of simulating the iodine behavior influenced by water radiolysis products such as aqueous electrons and hydroxyl radicals. In the existing RAIM modelling, it was considered that aqueous electrons only interacted with oxygen as a consumption reaction, but the reaction with hydrogen peroxide also could be major contributor to the iodine behavior as well as the consumption reaction of aqueous electrons. In case of hydroxyl radicals, RAIM took no notice of the pH impact. In other words, it dealt with the consumption reaction constants but not as a variable of pH. In this communication, the procedures to develop the model related to aqueous electrons and hydroxyl radicals in RAIM will be addressed. And the upgraded RAIM (RAIM-1, 2, 3) codes were applied to OECD-BIP P10T2 test which showed the effect of pH on the iodine behavior and compared with the existing RAIM1.8.3 code. Comparing with the existing RAIM, the improvement reduced the difference about 10%. However, the absolute difference values that is about one order at pH 10 could not be reduced by this approach.

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions.

Science.gov (United States)

Bley, Michael; Duvail, Magali; Guilbaud, Philippe; Dufrêche, Jean-François

2017-10-19

Herein, a new theoretical method is presented for predicting osmotic equilibria and activities, where a bulk liquid and its corresponding vapor phase are simulated by means of molecular dynamics using explicit polarization. Calculated time-averaged number density profiles provide the amount of evaporated molecules present in the vapor phase and consequently the vapor-phase density. The activity of the solvent and the corresponding osmotic coefficient are determined by the vapor density at different solute concentrations with respect to the reference vapor density of the pure solvent. With the extended Debye-Hückel equation for the activity coefficient along with the corresponding Gibbs-Duhem relation, the activity coefficients of the solutes are calculated by fitting the osmotic coefficients. A simple model based on the combination of Poisson processes and Maxwell-Boltzmann velocity distributions is introduced to interpret statistical phenomena observed during the simulations, which are related to evaporation and recondensation. This method is applied to aqueous dysprosium nitrate [Dy(NO 3 ) 3 ] solutions at different concentrations. The obtained densities of the liquid bulk and the osmotic and activity coefficients are in good agreement with the experimental results for concentrated and saturated solutions. Density profiles of the liquid-vapor interface at different concentrations provide detailed insight into the spatial distributions of all compounds.

Glucose recovery from aqueous solutions by adsorption in metal–organic framework MIL-101: a molecular simulation study

Science.gov (United States)

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

2015-01-01

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. PMID:26242874

Purification of simulated waste water using green synthesized silver nanoparticles of Piliostigma thonningii aqueous leave extract

Science.gov (United States)

Shittu, K. O.; Ihebunna, O.

2017-12-01

Synthesis of nanoparticles from various biological systems has been reported, but among all such systems, biosynthesis of nanoparticles from plants is considered the most suitable method. The use of plant material not only makes the process eco-friendly, but also the abundance makes it more economical. The aim of this study was to biologically synthesize silver nanoparticle using Piliostigma thonningii aqueous leaf extract and applied in the purification of laboratory stimulated waste with optimization using the different conditions of silver nanoparticle production such as time, temperature, pH, concentration of silver nitrate and volume of the aqueous extract. The biosynthesized silver nanoparticles were characterized by UV-visible spectrophotometry, nanosizer, energy dispersive x-ray analysis (EDX), transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) spectroscopy. The time intervals for the reaction with aqueous silver nitrate solution shows an increase in the absorbance with time and became constant giving a maximum absorbance at 415 nm at 60 min of incubation. The pH of 6.5, temperature 65 °C, 1.25 mM of silver nitrate and 5 ml of plant extract was the best condition with maximum absorbance. The results from nanosizer, UV-vis and TEM suggested the biosynthesis silver nanoparticle to be spherical ranging from 50 nm to 114 nm. The EDX confirmed the elemental synthesis of silver at 2.60 keV and FTIR suggested the capping agent to be hydroxyl (OH) group with -C=C stretching vibrations. The synthesized silver nanoparticle also shows heavy metal removal activity in laboratory simulated waste water. The safety toxicity studies show no significant difference between the orally administered silver nanoparticles treated water group and control group, while the histopathological studies show well preserved hepatic architecture for the orally administered silver nanoparticle treated waste water group when compared with the control

From Fibril Formation to Fibril Properties and Rheology of Food Materials

NARCIS (Netherlands)

Linden, van der E.; Venema, P.

2013-01-01

For control and design of food properties it is important to understand how molecules and their interactions give rise to formation of microstructures and resulting rheological properties. This will be illustrated by discussing the formation and properties of fibrils in aqueous and non-aqueous

Some of the Effects of Aqueous Leaf Extract of Cnidoscolous ...

African Journals Online (AJOL)

treatment for numerous ailments ranging from its ability to strengthen fingernails and darken gray hair to curing alcoholism, insomnia, gout, and scorpion stings. This study was to elucidate the effect of aqueous leaf extract of Cnidoscolus aconitifolius commonly used as food supplement on the kidney and liver of Sprague ...

In vivo and in vitro antidiabetic effects of aqueous cinnamon extract and cinnamon polyphenol-enhanced food matrix

Science.gov (United States)

Cheng, Diana M.; Kuhn, Peter; Poulev, Alexander; Rojo, Leonel E.; Lila, Mary Ann; Raskin, Ilya

2012-01-01

Cinnamon has a long history of medicinal use and continues to be valued for its therapeutic potential for improving metabolic disorders such as type 2 diabetes. In this study, a phytochemically-enhanced functional food ingredient that captures water soluble polyphenols from aqueous cinnamon extract (CE) onto a protein rich matrix was developed. CE and cinnamon polyphenol-enriched defatted soy flour (CDSF) were effective in acutely lowering fasting blood glucose levels in diet-induced obese hyperglycemic mice at 300 and 600 mg/kg, respectively. To determine mechanisms of action, rat hepatoma cells were treated with CE and eluates of CDSF at a range of 1–25 µg/ml. CE and eluates of CDSF demonstrated dose-dependent inhibition of hepatic glucose production with significant levels of inhibition at 25 µg/ml. Furthermore, CE decreased the gene expression of two major regulators of hepatic gluconeogenesis, phosphoenolpyruvate carboxykinase and glucose-6-phosphatase. The hypoglycemic and insulin-like effects of CE and CDSF may help to ameliorate type 2 diabetes conditions. PMID:22980902

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

International Nuclear Information System (INIS)

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

1982-01-01

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

Microbial Safety of Low Water Activity Foods: Study of Simulated and Durban Household Samples

Directory of Open Access Journals (Sweden)

O. A. Ijabadeniyi

2017-01-01

Full Text Available Sixty household low water activity foods were examined and a simulative study was conducted in a high sugar, low aw almond and macadamia butter to determine the survival of Bacillus cereus and Staphylococcus aureus ATCC 25923. Results obtained from 60 low aw samples collected at household level had some significant differences (P≤0,05 within food categories amongst the various tests. Spices had the highest number of aerobic bacteria, aerobic spore-formers, anaerobic spore-formers, and S. aureus. Mean aerobic colony counts for nuts and spices were 2.30 log CFU/g and 4.40 log CFU/g, respectively. Pathogens such as Escherichia coli and Cronobacter sakazakii were present in nuts, whilst Salmonella spp. was present in chocolates. This implies that certain low aw foods may present a public health risk. In the simulative study, temperature and high sucrose concentrations played a significant role in the survival of B. cereus and S. aureus ATCC 25923. B. cereus was found to be more osmotolerant at both reduced and elevated temperatures (18°C and 25°C in the 12% sucrose sample in both butters, whilst S. aureus ATCC 25923 seemed to grow better in sucrose-free samples at both temperatures in both butters. This implies that certain low aw foods may present a public health risk. Also, B. cereus, being a spore-forming bacterium, can be osmotolerant at both reduced and elevated temperatures.

Tunable aqueous virtual micropore.

Science.gov (United States)

Park, Jae Hyun; Guan, Weihua; Reed, Mark A; Krstić, Predrag S

2012-03-26

A charged microparticle can be trapped in an aqueous environment by forming a narrow virtual pore--a cylindrical space region in which the particle motion in the radial direction is limited by forces emerging from dynamical interactions of the particle charge and dipole moment with an external radiofrequency quadrupole electric field. If the particle satisfies the trap stability criteria, its mean motion is reduced exponentially with time due to the viscosity of the aqueous environment; thereafter the long-time motion of particle is subject only to random, Brownian fluctuations, whose magnitude, influenced by the electrophoretic and dielectrophoretic effects and added to the particle size, determines the radius of the virtual pore, which is demonstrated by comparison of computer simulations and experiment. The measured size of the virtual nanopore could be utilized to estimate the charge of a trapped micro-object. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimized aqueous extraction of saponins from bitter melon for production of a saponin-enriched bitter melon powder.

Science.gov (United States)

Tan, Sing P; Vuong, Quan V; Stathopoulos, Costas E; Parks, Sophie E; Roach, Paul D

2014-07-01

Bitter melon, Momordica charantia L. (Cucurbitaceae), aqueous extracts are proposed to have health-promoting properties due to their content of saponins and their antioxidant activity. However, the optimal conditions for the aqueous extraction of saponins from bitter melon and the effects of spray drying have not been established. Therefore, this study aimed to optimize the aqueous extraction of the saponins from bitter melon, using response surface methodology, prepare a powder using spray drying, and compare the powder's physical properties, components, and antioxidant capacity with aqueous and ethanol freeze-dried bitter melon powders and a commercial powder. The optimal aqueous extraction conditions were determined to be 40 °C for 15 min and the water-to-sample ratio was chosen to be 20:1 mL/g. For many of its physical properties, components, and antioxidant capacity, the aqueous spray-dried powder was comparable to the aqueous and ethanol freeze-dried bitter melon powders and the commercial powder. The optimal conditions for the aqueous extraction of saponins from bitter melon followed by spray drying gave a high quality powder in terms of saponins and antioxidant activity. This study highlights that bitter melon is a rich source of saponin compounds and their associated antioxidant activities, which may provide health benefits. The findings of the current study will help with the development of extraction and drying technologies for the preparation of a saponin-enriched powdered extract from bitter melon. The powdered extract may have potential as a nutraceutical supplement or as a value-added ingredient for incorporation into functional foods. © 2014 Institute of Food Technologists®

Excess Properties of Aqueous Mixtures of Methanol: Simulation Versus Experiment

Czech Academy of Sciences Publication Activity Database

González-Salgado, D.; Nezbeda, Ivo

2006-01-01

Roč. 240, č. 2 (2006), s. 161-166 ISSN 0378-3812 R&D Projects: GA AV ČR(CZ) IAA4072303 Grant - others:BEMUSAC(XE) G1MA/CT/2002/04019 Institutional research plan: CEZ:AV0Z40720504 Keywords : aqueous mixtures * excess properties * partial molar properties Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.680, year: 2006

Behavior of silver nanoparticles and ions in food simulants and low fat cow milk under migration conditions

DEFF Research Database (Denmark)

Jokar, Maryam; Correia, Manuel; Löschner, Katrin

2018-01-01

, 50% ethanol preserved the AgNPs, while acetic acid induced dissolution of AgNPs. Dissolution of the PEG-AgNPs obeyed pseudo-first-order reaction kinetics. PEG-AgNPs showed similar behavior in low fat cow milk during storage at 4 °C for 5 days as in the corresponding food simulant, 50% ethanol....... Addition of sodium chloride to ultrapure water led to enhanced dissolution. The potential reduction of silver ions to NPs in food simulants, low fat milk and in alkaline conditions in the presence of reducing agents was studied. Based on the obtained results, it is unlikely that AgNPs are formed from Ag...

Simulated Models Suggest That Price per Calorie Is the Dominant Price Metric That Low-Income Individuals Use for Food Decision Making.

Science.gov (United States)

Beheshti, Rahmatollah; Igusa, Takeru; Jones-Smith, Jessica

2016-11-01

The price of food has long been considered one of the major factors that affects food choices. However, the price metric (e.g., the price of food per calorie or the price of food per gram) that individuals predominantly use when making food choices is unclear. Understanding which price metric is used is especially important for studying individuals with severe budget constraints because food price then becomes even more important in food choice. We assessed which price metric is used by low-income individuals in deciding what to eat. With the use of data from NHANES and the USDA Food and Nutrient Database for Dietary Studies, we created an agent-based model that simulated an environment representing the US population, wherein individuals were modeled as agents with a specific weight, age, and income. In our model, agents made dietary food choices while meeting their budget limits with the use of 1 of 3 different metrics for decision making: energy cost (price per calorie), unit price (price per gram), and serving price (price per serving). The food consumption patterns generated by our model were compared to 3 independent data sets. The food choice behaviors observed in 2 of the data sets were found to be closest to the simulated dietary patterns generated by the price per calorie metric. The behaviors observed in the third data set were equidistant from the patterns generated by price per calorie and price per serving metrics, whereas results generated by the price per gram metric were further away. Our simulations suggest that dietary food choice based on price per calorie best matches actual consumption patterns and may therefore be the most salient price metric for low-income populations. © 2016 American Society for Nutrition.

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

International Nuclear Information System (INIS)

Soares, Eufemia Paez; Saki, Mitiko; Silva, Leonardo G.A.

2007-01-01

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)

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

Science.gov (United States)

Franz, R; Welle, F

2008-08-01

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

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

Directory of Open Access Journals (Sweden)

Makoto Nakai

2014-01-01

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.

Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.

Science.gov (United States)

Park, Sungnam; Odelius, Michael; Gaffney, Kelly J

2009-06-04

The structural and dynamical properties of aqueous ionic solutions influence a wide range of natural and biological processes. In these solutions, water has the opportunity to form hydrogen bonds with other water molecules and anions. Knowing the time scale with which these configurations interconvert represents a key factor to understanding the influence of molecular scale heterogeneity on chemical events in aqueous ionic solutions. We have used ultrafast IR spectroscopy and Car-Parrinello molecular dynamics (CPMD) simulations to investigate the hydrogen bond (H-bond) structural dynamics in aqueous 6 M sodium perchlorate (NaClO4) solution. We have measured the H-bond exchange dynamics between spectrally distinct water-water and water-anion H-bond configurations with 2DIR spectroscopy and the orientational relaxation dynamics of water molecules in different H-bond configurations with polarization-selective IR pump-probe experiments. The experimental H-bond exchange time correlates strongly with the experimental orientational relaxation time of water molecules. This agrees with prior observations in water and aqueous halide solutions, and has been interpreted within the context of an orientational jump model for the H-bond exchange. The CPMD simulations performed on aqueous 6 M NaClO4 solution clearly demonstrate that water molecules organize into two radially and angularly distinct structural subshells within the first solvation shell of the perchlorate anion, with one subshell possessing the majority of the water molecules that donate H-bonds to perchlorate anions and the other subshell possessing predominantly water molecules that donate two H-bonds to other water molecules. Due to the high ionic concentration used in the simulations, essentially all water molecules reside in the first ionic solvation shells. The CPMD simulations also demonstrate that the molecular exchange between these two structurally distinct subshells proceeds more slowly than the H

Orientational order and dynamics of water in bulk and in aqueous solutions of uranyl ions

International Nuclear Information System (INIS)

Chopra, Manish; Choudhury, Niharendu

2014-01-01

Molecular dynamics simulations in canonical ensemble of aqueous solutions of uranyl nitrate and bulk water at ambient condition have been carried out to investigate orientational order and dynamics of water. The orientational distributions of water around a central water molecule in bulk water and around a uranyl ion in an aqueous uranyl solution have been calculated. Orientational dynamics of water in bulk and in aqueous uranyl nitrate solution have also been analysed. (author)

Security Information System Digital Simulation

OpenAIRE

Tao Kuang; Shanhong Zhu

2015-01-01

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 protect...

Simulated Models Suggest That Price per Calorie Is the Dominant Price Metric That Low-Income Individuals Use for Food Decision Making123

Science.gov (United States)

2016-01-01

Background: The price of food has long been considered one of the major factors that affects food choices. However, the price metric (e.g., the price of food per calorie or the price of food per gram) that individuals predominantly use when making food choices is unclear. Understanding which price metric is used is especially important for studying individuals with severe budget constraints because food price then becomes even more important in food choice. Objective: We assessed which price metric is used by low-income individuals in deciding what to eat. Methods: With the use of data from NHANES and the USDA Food and Nutrient Database for Dietary Studies, we created an agent-based model that simulated an environment representing the US population, wherein individuals were modeled as agents with a specific weight, age, and income. In our model, agents made dietary food choices while meeting their budget limits with the use of 1 of 3 different metrics for decision making: energy cost (price per calorie), unit price (price per gram), and serving price (price per serving). The food consumption patterns generated by our model were compared to 3 independent data sets. Results: The food choice behaviors observed in 2 of the data sets were found to be closest to the simulated dietary patterns generated by the price per calorie metric. The behaviors observed in the third data set were equidistant from the patterns generated by price per calorie and price per serving metrics, whereas results generated by the price per gram metric were further away. Conclusions: Our simulations suggest that dietary food choice based on price per calorie best matches actual consumption patterns and may therefore be the most salient price metric for low-income populations. PMID:27655757

Fate of selected microorganisms when introduced as cross-contamination inocula into simulated food trash compartment waste

Science.gov (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

Quantitative Method for the Detection of Triethyl Phosphate in Aqueous Solutions

National Research Council Canada - National Science Library

Bagalawis, Rosa

2003-01-01

...) at the parts per million level in aqueous solution. TEP was used as a chemical agent simulant to evaluate the penetration characteristics of clothing, gloves, boots and items of personal equipment...

Development of Three-Layer Simulation Model for Freezing Process of Food Solution Systems

Science.gov (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.

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 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....

Solvation and Ion Pair Association in Aqueous Metal Sulfates: Interpretation of NDIS raw data by isobaric-isothermal molecular dynamics simulation

International Nuclear Information System (INIS)

Chialvo, Ariel A.; Simonson, J. Michael

2010-01-01

We analyzed the solvation behavior of aqueous lithium, nickel, and ytterbium sulfates at ambient conditions in terms of the relevant radial distributions functions and the corresponding first-order difference of the sulfur-site neutron weighted distribution functions generated by isothermal-isobaric molecular dynamics simulation. We determined of the partial contributions to the neutron weighted distribution functions, to identify the main peaks, and the effect of the contact ion-pair configuration on the resulting H-S coordination number. Finally, we assessed the extent of the ion-pair formation according to Poirier-DeLap formalism and highlighted the significant increase of the ion-pair association exhibited by these salts with cation charge.

Evaluation of the antimicrobial activity of pecan nut [Carya illinoinensis (Wangenh C. Koch] shell aqueous extract on minimally processed lettuce leaves

Directory of Open Access Journals (Sweden)

Sabrina CAXAMBÚ

2016-01-01

Full Text Available Abstract Pecan nutshell is a residue from food industry that has potential to be used as biopreservative in foods. The objective of this study was to evaluate the antimicrobial activity of pecan nutshell aqueous extract in vitro and its effectiveness to inhibit spoilage microorganisms on lettuce leaves. The results indicate that the aqueous extract presents inhibitory activity against important foodborne pathogenic bacteria such as Listeria monocytogenes, Salmonella Enteritidis, Staphylococcus aureus, Bacillus cereus, Aeromonas hydrophila and Pseudomonas aeruginosa. Antimicrobial activity was not observed against Corynebacterium fimi, Clostridium perfringens, Escherichia coli, and the phytopathogenic fungi tested. When applied onto lettuce leaves, pecan nutshell extract reduced the counts of mesophilic and psychrotrophic bacteria in 2 and 4 log CFU/g, respectively, during storage of leafy for 5 days at refrigeration temperature (5 °C. The extract was not effective to inhibit yeast on lettuce leaves. Thus, the aqueous extract of pecan shell showed great potential to be used as a natural preservative in foods, acting mainly in the inhibition of spoilage and pathogenic bacteria.

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.

2002-01-01

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

Release of carbon nanoparticles of different size and shape from nanocomposite poly(lactic) acid film into food simulants.

Science.gov (United States)

Velichkova, Hristiana; Kotsilkov, Stanislav; Ivanov, Evgeni; Kotsilkova, Rumiana; Gyoshev, Stanislav; Stoimenov, Nikolay; Vitanov, Nikolay K

2017-06-01

Poly(lactic) acid (PLA) film with 2 wt% mixed carbon nanofillers of graphene nanoplates (GNPs) and multiwall carbon nanotubes (MWCNTs) in a weight ratio of 1:1 with impurities of fullerene and carbon black (CB) was produced by layer-to-layer deposition and hot pressing. The release of carbon nanoparticles from the film was studied at varying time-temperature conditions and simulants. Migrants in simulant solvents were examined with laser diffraction analysis and transmission electron microscopy (TEM). Film integrity and the presence of migrants on the film surfaces were visualised by scanning electron microscopy (SEM). The partial dissolution of PLA polymer in the solvents was confirmed by swelling tests and differential scanning calorimetry (DSC). Nanoparticle migrants were not detected in the simulants (at the LOD 0.020 μm of the laser diffraction analysis) after migration testing at 40°C for 10 days. However, high-temperature migration testing at 90°C for 4 h provoked a release of GNPs from the film into ethanol, acetic acid and oil-based food simulants. Short carbon nanotubes were observed rarely to release in the most aggressive acetic acid solvent. Obviously, the enhanced molecular mobility at temperatures above the glass transition and partial dissolution of PLA polymer by the food simulant facilitate the diffusion processes. Moreover, shape, size and concentration of nanoparticles play a significant role. Flexible naked GNPs (lateral size 100-1000 nm) easily migrate when the polymer molecules exhibit enhanced mobility, while fibrous MWCNTs (> 1 μm length) formed entangled networks on the film surfaces as the PLA polymer is partly dissolved, preventing their release into food simulants. The impurities of fullerenes and CB (5-30 nm) were of minor concentration in the polymer, therefore their migration is low or undetectable. The total amount of released migrants is below overall migration limits.

Calcium-Alginate-Inulin Microbeads as Carriers for Aqueous Carqueja Extract.

Science.gov (United States)

Balanč, Bojana; Kalušević, Ana; Drvenica, Ivana; Coelho, Maria Teresa; Djordjević, Verica; Alves, Vitor D; Sousa, Isabel; Moldão-Martins, Margarida; Rakić, Vesna; Nedović, Viktor; Bugarski, Branko

2016-01-01

Carqueja (Pterospartum tridentatum) is an endemic species and various bioactive compounds have been identified in its aqueous extract. The aim of this study was to protect the natural antioxidants from the aqueous extract of carqueja by encapsulation in Ca-alginate microbeads and Ca-alginate microbeads containing 10% and 20% (w/v) of inulin. The microbeads produced by electrostatic extrusion technique had an average diameter from 625 μm to 830 μm depending on the portion of inulin. The sphericity factor of the hydrogel microbeads had values between 0.014 and 0.026, while freeze dried microbeads had irregular shape, especially those with no excipient. The reduction in microbeads size after freeze drying process (expressed as shrinkage factor) ranged from 0.338 (alginate microbeads with 20% (w/v) of inulin) to 0.523 (plain alginate microbeads). The expressed radical scavenging activity against ABTS and DPPH radicals was found to be between 30% and 40% for encapsulated extract, while the fresh extract showed around 47% and 57% of radical scavenging activity for ABTS and DPPH radicals, respectively. The correlation between antioxidant activity and the total phenolic content were found to be positive (in both assay methods, DPPH and ABTS), which indicate that the addition of inulin didn't have influence on antioxidant activity. The presence of inulin reduced stiffness of the hydrogel, and protected bead structure from collapse upon freeze-drying. Alginate-inulin beads are envisaged to be used for delivery of aqueous P. tridentatum extract in functional food products. © 2015 Institute of Food Technologists®

Quantitative Characterization of Aqueous Byproducts from Hydrothermal Liquefaction of Municipal Wastes, Food Industry Wastes, and Biomass Grown on Waste

Energy Technology Data Exchange (ETDEWEB)

Maddi, Balakrishna; Panisko, Ellen; Wietsma, Thomas; Lemmon, Teresa; Swita, Marie; Albrecht, Karl; Howe, Daniel

2017-01-27

Hydrothermal liquefaction (HTL) is a viable thermochemical process for converting wet solid wastes into biocrude which can be hydroprocessed to liquid transportation fuel blendstocks and specialty chemicals. The aqueous byproduct from HTL contains significant amounts (20 to 50%) of the feed carbon, which must be used to enhance economic sustainability of the process on an industrial scale. In this study, aqueous fractions produced from HTL of industrial and municipal waste were characterized using a wide variety of analytical approaches. Organic chemical compounds present in these aqueous fractions were identified using two-dimensional gas chromatography equipped with time-of-flight mass spectrometry. Identified compounds include organic acids, nitrogen compounds, alcohols, aldehydes, and ketones. Conventional gas chromatography and liquid chromatography methods were employed to quantify the identified compounds. Inorganic species, in the aqueous stream of hydrothermal liquefaction of these aqueous byproducts, also were quantified using ion chromatography and inductively coupled plasma optical emission spectroscopy. The concentrations of organic chemical compounds and inorganic species are reported, and the significance of these results is discussed in detail.

Metal binding by food components

DEFF Research Database (Denmark)

Tang, Ning

for zinc binding by the investigated amino acids, peptides and proteins. The thiol group or imidazole group containing amino acids, peptides and proteins which exhibited strong zinc binding ability were further selected for interacting with zinc salts in relation to zinc absorption. The interactions...... between the above selected food components and zinc citrate or zinc phytate will lead to the enhanced solubility of zinc citrate or zinc phytate. The main driving force for this observed solubility enhancement is the complex formation between zinc and investigated food components as revealed by isothermal...... titration calorimetry and quantum mechanical calculations. This is due to the zinc binding affinity of the relatively softer ligands (investigated food components) will become much stronger than citrate or phytate when they present together in aqueous solution. This mechanism indicates these food components...

Influence of concentration on the radiolytic decomposition of thiamine, riboflavin, and pyridoxine in aqueous solution

Directory of Open Access Journals (Sweden)

Guadalupe Albarrán

2014-10-01

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.

Effects of milk components and food additives on survival of three bifidobacteria strains in fermented milk under simulated gastrointestinal tract conditions

Directory of Open Access Journals (Sweden)

Małgorzata Ziarno

2015-11-01

Full Text Available Background: In the dairy industry, probiotic strains of Bifidobacterium are introduced into the composition of traditional starter cultures intended for the production of fermented foods, or sometimes are the sole microflora responsible for the fermentation process. In order to be able to reach the intestines alive and fulfil their beneficial role, probiotic strains must be able to withstand the acidity of the gastric juices and bile present in the duodenum. Objective: The paper reports effects of selected fermented milk components on the viability of three strains of bifidobacteria in fermented milk during subsequent incubation under conditions representing model digestive juices. Design: The viability of the bifidobacterial cells was examined after a 3-h incubation of fermented milk under simulated gastric juice conditions and then after 5-h incubation under simulated duodenum juice conditions. The Bifidobacterium strains tested differed in their sensitivity to the simulated conditions of the gastrointestinal juices. Results: Bifidobacterial cell viability in simulated intestinal juices was dependent on the strain used in our experiments, and product components acted protectively towards bifidobacterial cells and its dose. Conclusions: Bifidobacterial cells introduced into the human gastrointestinal tract as food ingredients have a good chance of survival during intestinal transit and to reach the large intestine thanks to the protective properties of the food components and depending on the strain and composition of the food.

Food Ingredient Extracts of Cyclopia subternata (Honeybush): Variation in Phenolic Composition and Antioxidant Capacity

OpenAIRE

Beer, Dalene de; Schulze, Alexandra; Joubert, Elizabeth; Villiers, André de; Malherbe, Christiaan; Stander, Maria

2012-01-01

Cyclopia subternata plants are traditionally used for the production of the South African herbal tea, honeybush, and recently as aqueous extracts for the food industry. A C. subternata aqueous extract and mangiferin (a major constituent) are known to have anti-diabetic properties. Variation in phenolic composition and antioxidant capacity is expected due to cultivation largely from seedlings, having implications for extract standardization and quality control. Aqueous extracts from 64 seedlin...

Insights into unbound-bound states of GPR142 receptor in a membrane-aqueous system using molecular dynamics simulations.

Science.gov (United States)

Kaushik, Aman Chandra; Sahi, Shakti

2018-05-01

G protein coupled receptors (GPCRs) are source machinery in signal transduction pathways and being one of the major therapeutic targets play a significant in drug discovery. GPR142, an orphan GPCR, has been implicated in the regulation of insulin, thereby having a crucial role in Type II diabetes management. Deciphering of the structures of orphan, GPCRs (O-GPCRs) offer better prospects for advancements in research in ion translocation and transduction of extracellular signals. As the crystallographic structure of GPR142 is not available in PDB, therefore, threading and ab initio-based approaches were used for 3D modeling of GPR142. Molecular dynamic simulations (900 ns) were performed on the 3D model of GPR142 and complexes of GPR142 with top five hits, obtained through virtual screening, embedded in lipid bilayer with aqueous system using OPLS force field. Compound 1, 3, and 4 may act as scaffolds for designing potential lead agonists for GPR142. The finding of GPR142 MD simulation study provides more comprehensive representation of the functional properties. The concern for Type II diabetes is increasing worldwide and successful treatment of this disease demands novel drugs with better efficacy.

Theoretical approach to the destruction or sterilization of drugs in aqueous solution

International Nuclear Information System (INIS)

Slegers, Catherine; Tilquin, Bernard

2005-01-01

Two novel applications in the radiation processing of aqueous solutions of drugs are the sterilization of injectable drugs and the decontamination of hospital wastewaters by ionizing radiation. The parameters influencing the destruction of the drug in aqueous solutions are studied with a computer simulation program. This theoretical approach has revealed that the dose rate is the most important parameter that can be easily varied in order to optimize the destruction or the protection of the drug

Evaluation of performance of food packagings when treated with ionizing radiation; Avaliacao do desempenho de embalagens para alimentos quando submetidas a tratamento por radiacao ionizante

Energy Technology Data Exchange (ETDEWEB)

Moura, Esperidiana Augusta Barretos de

2006-07-01

In this study the mechanical properties (tensile strength and percentage elongation at break and penetration resistance), optical properties, gas oxygen and water vapor permeability, the overall migration tests into aqueous food simulant (3% aqueous acetic acid) and fatty food simulant (n-heptane), as well as the formation of volatile radiation product tests were used to evaluate the effects of ionizing radiation (gamma irradiation or electron-beam irradiation) on commercial monolayer and multilayer flexible plastics packaging materials. These films are two typical materials produced in Brazil for industrial meat packaging, one of them is a monolayer low-density polyethylene (LDPE) and other is a multilayer co extruded low-density polyethylene (LDPE), ethylene vinyl alcohol (EVOH), polyamide (PA) based film (LDPE/EVOH/PA). Film samples were irradiated with doses up to 30 kGy, at room temperature and in the presence of air with gamma rays using a {sup 60}Co facility and electron beam from 1.5 MeV electrostatic accelerator. Alterations of these properties were detected according to the dose applied initially eight day after irradiation took place and new alterations of these values when the properties were evaluate two to three months after irradiation process. The results showed that scission reactions are higher than cross-linking process for both studied films, irradiated with gamma rays and electron beam. The evaluated properties of the irradiated films were not affected significantly with the dose range and period studied. The monolayer Unipac PE-60 and the multilayer Lovaflex CH 130 films can be used as food packaging materials for food pasteurization and in the sterilization process of by ionizing radiation using a gamma facilities and electron beam accelerators in commercial scale. (author)

De-contamination of pesticide residues in food by ionizing radiation

International Nuclear Information System (INIS)

Basfar, Ahmed A.; Mohamed, Khaled A.; Al-Saqer, Omar A.

2012-01-01

The role of gamma irradiation on removal of pesticides in aqueous solutions or in vegetables and fruits was investigated. Radiation - induced decontamination of pesticides is generally greater in aqueous solutions than in selected vegetables and fruits. Residues of malathion (0.5 ppm in potatoes, 8 ppm in onions and dates), pirimiphos-methyl (1 ppm in onions and grapes) and cypermethrin (0.05 ppm in potatoes and 0.1 ppm in onions) were not reduced to below maximum residue limits (MRLs) for irradiation doses up to 1 kGy. The same trend was observed when irradiation was performed for grapes fortified with malathion (8 ppm) and cypermethrin (2 ppm) for absorbed doses up to 2 kGy. Ionizing radiation reduced the residues of pirimiphos-methyl (0.05 ppm in potatoes at1 kGy, 1 ppm in grapes at 2 kGy and 0.1 ppm in dates at1 kGy), malathion (8 ppm in grapes at 7 kGy) and cypermethrin (2 ppm in grapes at 7 kGy) to below maximum residue limits (MRLs). - Highlights: ► The role of irradiation on removal of pesticides in aqueous solutions or in food products was investigated. ► Radiation-induced removal of pesticides is generally greater in aqueous solutions than in food products. ► Radiation can reduce the pirimiphos-methyl in potatoes, grapes and dates to below MRLs. ► Radiation can reduce the malathion and cypermethrin in grapes to below MRLs. ► Radiation is used for dual objectives of reducing pesticide residues and improving food safety.

Fate of Staphylococcus aureus in radiation sterilized model food systems simulating dairy products

International Nuclear Information System (INIS)

Sulebele, G.A.; Kamat, M.Y.

1976-01-01

Gamma irradiation was successfully employed for the development of sterile model food systems simulating dairy products such as pedha and cottage cheese which were inoculated with enterotoxigenic S.aureus S-6 and FR1-100 either individually or in association with S.epidermids and other mixed flora comprising of gram-positive, gram-negative and lactic bacteria and stored at 4 and 35 degC for 6-8 weeks. Pedha failed to support growth of S.aureus while cottage cheese favoured profuse growth of the pathogen. S.epidermidis exhibited a synergistic effect on the growth of S.aureus in cottage cheese. Baired-Parker's medium showed very poor recovery of S.aureus which necessitated the development of a new selective medium for the enumeration of staphylococci in processed foods. (author)

21 CFR 520.1696a - Buffered penicillin powder, penicillin powder with buffered aqueous diluent.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Buffered penicillin powder, penicillin powder with... FORM NEW ANIMAL DRUGS § 520.1696a Buffered penicillin powder, penicillin powder with buffered aqueous diluent. (a) Specifications. When reconstituted, each milliliter contains penicillin G procaine equivalent...

Aqueous-Phase Acetic Acid Ketonization over Monoclinic Zirconia

Energy Technology Data Exchange (ETDEWEB)

Cai, Qiuxia [Institute for Integrated Catalysis, Pacific Northwest; College; Lopez-Ruiz, Juan A. [Institute for Integrated Catalysis, Pacific Northwest; Cooper, Alan R. [Institute for Integrated Catalysis, Pacific Northwest; Wang, Jian-guo [College; Albrecht, Karl O. [Institute for Integrated Catalysis, Pacific Northwest; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest

2017-12-13

The effect of aqueous phase on the acetic acid ketonization over monoclinic zirconia has been investigated using first-principles based density functional theory (DFT) calculations. To capture the aqueous phase chemistry over the solid zirconia catalyst surface, the aqueous phase is represented by 111 explicit water molecules with a liquid water density of 0.93 g/cm3 and the monoclinic zirconia is modeled by the most stable surface structure . The dynamic nature of aqueous phase/ interface was studied using ab initio molecular dynamics simulation, indicating that nearly half of the surface Zr sites are occupied by either adsorbed water molecules or hydroxyl groups at 550 K. DFT calculations show that the adsorption process of acetic acid from the liquid water phase to the surface is nearly thermodynamically neutral with a Gibbs free energy of -2.3 kJ/mol although the adsorption strength of acetic acid on the surface in aqueous phase is much stronger than in vapor phase. Therefore it is expected that the adsorption of acetic acid will dramatically affects aqueous phase ketonization reactivity over the monoclinic zirconia catalyst. Using the same ketonization mechanism via the β-keto acid intermediate, we have compared acetic acid ketonization to acetone in both vapor and aqueous phases. Our DFT calculation results show although the rate-determining step of the β-keto acid formation via the C-C coupling is not pronouncedly affected, the presence of liquid water molecules will dramatically affect dehydrogenation and hydrogenation steps via proton transfer mechanism. This work was financially supported by the United States Department of Energy (DOE)’s Bioenergy Technologies Office (BETO) and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle Memorial Institute. Computing time and advanced catalyst characterization use was granted by a user proposal at the William R. Wiley

Blueberry proanthocyanidins against human norovirus surrogates in model foods and under simulated gastric conditions.

Science.gov (United States)

Joshi, Snehal; Howell, Amy B; D'Souza, Doris H

2017-05-01

Blueberry proanthocyanidins (B-PAC) are known to decrease titers of human norovirus surrogates in vitro. The application of B-PAC as therapeutic or preventive options against foodborne viral illness needs to be determined using model foods and simulated gastric conditions in vitro. The objective of this study was to evaluate the antiviral effect of B-PAC in model foods (apple juice (AJ) and 2% reduced fat milk) and simulated gastrointestinal fluids against cultivable human norovirus surrogates (feline calicivirus; FCV-F9 and murine norovirus; MNV-1) over 24 h at 37 °C. Equal amounts of each virus (5 log PFU/ml) was mixed with B-PAC (1, 2 and 5 mg/ml) prepared either in AJ, or 2% milk, or simulated gastric fluids and incubated over 24 h at 37 °C. Controls included phosphate buffered saline, malic acid (pH 7.2), AJ, 2% milk or simulated gastric and intestinal fluids incubated with virus over 24 h at 37 °C. The tested viruses were reduced to undetectable levels within 15 min with B-PAC (1, 2 and 5 mg/ml) in AJ (pH 3.6). However, antiviral activity of B-PAC was reduced in milk. FCV-F9 was reduced by 0.4 and 1.09 log PFU/ml with 2 and 5 mg/ml B-PAC in milk, respectively and MNV-1 titers were reduced by 0.81 log PFU/ml with 5 mg/ml B-PAC in milk after 24 h. B-PAC at 5 mg/ml in simulated intestinal fluid reduced titers of the tested viruses to undetectable levels within 30 min. Overall, these results show the potential of B-PAC as preventive and therapeutic options for foodborne viral illnesses. Copyright © 2016. Published by Elsevier Ltd.

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

Science.gov (United States)

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

2014-01-01

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.

Aqueous extract of Psidium guajava leaves: phenolic compounds and inhibitory potential on digestive enzymes

Directory of Open Access Journals (Sweden)

ANDERSON A. SIMÃO

Full Text Available ABSTRACT Leaves of Psidium guajava L. (guava have been widely used in the popular way for prevention and treatment of various diseases. Thus, the objective of this study was to evaluate the inhibitory potential of leaves aqueous extract from three cultivars of P. guajava (Pedro Sato, Paluma and Século XXI on α-amylase, α-glycosidase, lipase, and trypsin enzymes, in the presence or not of simulated gastric fluid and to determine the content of phenolic compounds by high performance liquid chromatography. All cultivars presented the same composition in phenolic compounds, but in different proportions. The compounds identified are gallic acid, epigallocatechin gallate, syringic acid, o-coumaric acid, resveratrol, quercetin, and catechin (which was the major compound in all the cultivars evaluated. In the absence of simulated gastric fluid, it was observed different inhibitions exercised by the leaves aqueous extracts from three cultivars of P. guajava on each enzyme. In presence of simulated gastric fluid, all cultivars showed increase in the inhibition of lipase and α-glycosidase, and decrease in inhibition of α-amylase and trypsin enzymes. These results indicate that P. guajava leaves aqueous extracts from all cultivars evaluated possess potential of use as an adjuvant in the treatment of obesity and other dyslipidemias.

Aqueous extract of Psidium guajava leaves: phenolic compounds and inhibitory potential on digestive enzymes.

Science.gov (United States)

Simão, Anderson A; Marques, Tamara R; Marcussi, Silvana; Corrêa, Angelita D

2017-01-01

Leaves of Psidium guajava L. (guava) have been widely used in the popular way for prevention and treatment of various diseases. Thus, the objective of this study was to evaluate the inhibitory potential of leaves aqueous extract from three cultivars of P. guajava (Pedro Sato, Paluma and Século XXI) on α-amylase, α-glycosidase, lipase, and trypsin enzymes, in the presence or not of simulated gastric fluid and to determine the content of phenolic compounds by high performance liquid chromatography. All cultivars presented the same composition in phenolic compounds, but in different proportions. The compounds identified are gallic acid, epigallocatechin gallate, syringic acid, o-coumaric acid, resveratrol, quercetin, and catechin (which was the major compound in all the cultivars evaluated). In the absence of simulated gastric fluid, it was observed different inhibitions exercised by the leaves aqueous extracts from three cultivars of P. guajava on each enzyme. In presence of simulated gastric fluid, all cultivars showed increase in the inhibition of lipase and α-glycosidase, and decrease in inhibition of α-amylase and trypsin enzymes. These results indicate that P. guajava leaves aqueous extracts from all cultivars evaluated possess potential of use as an adjuvant in the treatment of obesity and other dyslipidemias.

Mars Aqueous Processing System

Science.gov (United States)

Berggren, Mark; Wilson, Cherie; Carrera, Stacy; Rose, Heather; Muscatello, Anthony; Kilgore, James; Zubrin, Robert

2012-01-01

The goal of the Mars Aqueous Processing System (MAPS) is to establish a flexible process that generates multiple products that are useful for human habitation. Selectively extracting useful components into an aqueous solution, and then sequentially recovering individual constituents, can obtain a suite of refined or semi-refined products. Similarities in the bulk composition (although not necessarily of the mineralogy) of Martian and Lunar soils potentially make MAPS widely applicable. Similar process steps can be conducted on both Mars and Lunar soils while tailoring the reaction extents and recoveries to the specifics of each location. The MAPS closed-loop process selectively extracts, and then recovers, constituents from soils using acids and bases. The emphasis on Mars involves the production of useful materials such as iron, silica, alumina, magnesia, and concrete with recovery of oxygen as a byproduct. On the Moon, similar chemistry is applied with emphasis on oxygen production. This innovation has been demonstrated to produce high-grade materials, such as metallic iron, aluminum oxide, magnesium oxide, and calcium oxide, from lunar and Martian soil simulants. Most of the target products exhibited purities of 80 to 90 percent or more, allowing direct use for many potential applications. Up to one-fourth of the feed soil mass was converted to metal, metal oxide, and oxygen products. The soil residue contained elevated silica content, allowing for potential additional refining and extraction for recovery of materials needed for photovoltaic, semiconductor, and glass applications. A high-grade iron oxide concentrate derived from lunar soil simulant was used to produce a metallic iron component using a novel, combined hydrogen reduction/metal sintering technique. The part was subsequently machined and found to be structurally sound. The behavior of the lunar-simulant-derived iron product was very similar to that produced using the same methods on a Michigan iron

Electrochemical studies of the corrosion behavior of a low-carbon steel in aqueous chloride solutions simulating accident conditions of radioactive waste disposal

International Nuclear Information System (INIS)

Farvaque-Bera, A.M.; Leistikow, S.

1991-01-01

The fine-grained structural steel DIN W.Nr. 1.0566 was exposed to various sulfate and chloride-containing aqueous solutions, the latter ones simulating the potential accidental environment of water intrusion into a salt mine. By electrochemical measurements in salt brines, the following results were achieved: (1) The corrosion rate is highly dependent on salt brine composition, pH and temperature. (2) Active metal dissolution led to formation of shallow pits as surface corrosion phenomenon. Thus, the application of electrochemical techniques - under non-polarized as well as under potentiodynamic conditions - proved to be suitable for fast qualitative testing of the influence of various environmental parameters on steel corrosion. (orig.)

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

DEFF Research Database (Denmark)

Aabo, Søren; Buschhardt, Tasja; Hansen, Tina Beck

2014-01-01

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 stationary...... Heart Infusion Broth having a higher buffer capacity. We suggest this to be associated with a varying ability of Salmonella Typhimurium to mount a stationary phase acid tolerance response (ATR) depending on the buffer capacity of the food vehicle....... phase Salmonella Typhimurium during simulated gastric acid passage. We used a computer-controlled fermentor to employ pH changes in synthetic gastric fluid, mimicking the dynamic pH during gastric passage. In order to minimise variation, Salmonella enterica serovar Typhimurium was contained in dialysis...

Oxidative Stability and Shelf Life of Food Emulsions

DEFF Research Database (Denmark)

Jacobsen, Charlotte

2016-01-01

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...

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.

2009-01-01

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

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

Science.gov (United States)

Charnchai, Pattra; Jantama, Sirima Suvarnakuta; Prasitpuriprecha, Chutinun; Kanchanatawee, Sunthorn; Jantama, Kaemwich

2016-01-01

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.

Methane production from food waste leachate in laboratory-scale simulated landfill.

Science.gov (United States)

Behera, Shishir Kumar; Park, Jun Mo; Kim, Kyeong Ho; Park, Hung-Suck

2010-01-01

Due to the prohibition of food waste landfilling in Korea from 2005 and the subsequent ban on the marine disposal of organic sludge, including leachate generated from food waste recycling facilities from 2012, it is urgent to develop an innovative and sustainable disposal strategy that is eco-friendly, yet economically beneficial. In this study, methane production from food waste leachate (FWL) in landfill sites with landfill gas recovery facilities was evaluated in simulated landfill reactors (lysimeters) for a period of 90 d with four different inoculum-substrate ratios (ISRs) on volatile solid (VS) basis. Simultaneous biochemical methane potential batch experiments were also conducted at the same ISRs for 30 d to compare CH(4) yield obtained from lysimeter studies. Under the experimental conditions, a maximum CH(4) yield of 0.272 and 0.294 L/g VS was obtained in the batch and lysimeter studies, respectively, at ISR of 1:1. The biodegradability of FWL in batch and lysimeter experiments at ISR of 1:1 was 64% and 69%, respectively. The calculated data using the modified Gompertz equation for the cumulative CH(4) production showed good agreement with the experimental result obtained from lysimeter study. Based on the results obtained from this study, field-scale pilot test is required to re-evaluate the existing sanitary landfills with efficient leachate collection and gas recovery facilities as engineered bioreactors to treat non-hazardous liquid organic wastes for energy recovery with optimum utilization of facilities. 2010 Elsevier Ltd. All rights reserved.

Analysis of continuous fermentation processes in aqueous two-phase systems

Energy Technology Data Exchange (ETDEWEB)

Jarzebski, A B; Malinowski, J J [Polish Academy of Sciences, Gliwice (Poland). Inst. of Chemical Engineering; Goma, G; Soucaille, P [INSA, 31 - Toulouse (France). Dept. de Genie Biochimique et Alimentaire

1992-05-01

Simulations of continuous ethanol or acetonobutylic fermentations in aqueous two-phase systems show that at high substrate feed concentrations it is possible to obtain solvent productivities about 25-40% higher than in conventional systems with cell recycle if the biomass bleed rate is kept about one tenth of the value of D. (orig.).

Cost Evaluation of CO2 Sequestration by Aqueous Mineral Carbonation

NARCIS (Netherlands)

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

2007-01-01

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

Measurements of thermodynamic and optical properties of selected aqueous organic and organic-inorganic mixtures of atmospheric relevance.

Science.gov (United States)

Lienhard, Daniel M; Bones, David L; Zuend, Andreas; Krieger, Ulrich K; Reid, Jonathan P; Peter, Thomas

2012-10-11

Atmospheric aerosol particles can exhibit liquid solution concentrations supersaturated with respect to the dissolved organic and inorganic species and supercooled with respect to ice. In this study, thermodynamic and optical properties of sub- and supersaturated aqueous solutions of atmospheric interest are presented. The density, refractive index, water activity, ice melting temperatures, and homogeneous ice freezing temperatures of binary aqueous solutions containing L(+)-tartaric acid, tannic acid, and levoglucosan and ternary aqueous solutions containing levoglucosan and one of the salts NH(4)HSO(4), (NH(4))(2)SO(4), and NH(4)NO(3) have been measured in the supersaturated concentration range for the first time. In addition, the density and refractive index of binary aqueous citric acid and raffinose solutions and the glass transition temperatures of binary aqueous L(+)-tartaric acid and levoglucosan solutions have been measured. The data presented here are derived from experiments on single levitated microdroplets and bulk solutions and should find application in thermodynamic and atmospheric aerosol models as well as in food science applications.

Flow of Aqueous Humor

Science.gov (United States)

... Home Flow of Aqueous Humor Flow of Aqueous Humor Most, but not all, forms of glaucoma are ... remains normal when some of the fluid (aqueous humor) produced by the eye's ciliary body flows out ...

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

Science.gov (United States)

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

2014-01-01

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. PMID:25538857

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

2014-01-01

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.

The validation of a method for determining the migration of trace elements from food packaging materials into food

International Nuclear Information System (INIS)

Thompson, D.; Parry, S.J.; Benzing, R.

1997-01-01

A new radiotracer method has been developed to measure the migration of trace elements from food contact packaging into four standard food simulants; acetic acid, ethanol, olive oil, deionised water. A sample of material is irradiated in a thermal neutron flux of 10 16 n x m -2 x s -1 to activate the trace elements and produce a range of radionuclides. The samples is then placed in the food simulant and the migration of the radionuclides is monitored by performing γ-ray spectrometry on a sample of the simulant. Any radionuclides measured must be due entirely to the migration of the elements present in the plastic, since the simulant itself is not radioactive. Preliminary studies have shown that detection limits of around 0.2 μg x dm -2 (0.002 mg/kg) can be achieved for antimony in a sample of polyethylene terephthalate. This method can now been extended to measure migration into real foods. This will highlight any differences between the standard simulants currently used and real foods. Since the method only involves irradiation of the packaging material any food matrix can be studied. (author)

Formation of tyrosine isomers in aqueous phenylalanine solutions by gamma irradiation

International Nuclear Information System (INIS)

Aflaki, F.; Salahinejad, M.; Roozbehani, A.

2009-01-01

Ortho-tyrosine detection method can be used for detection of irradiated protein rich foods. Tyrosine isomers produced by gamma radiation of aqueous phenylalanine solutions at wide dose levels (0.1-50 k Gy) were examined to obtain basic information for o-tyrosine detection method of irradiated foods. Determination of tyrosines produced in aqueous phenylalanine solutions were carried out by high performance liquid chromatography and fluorescence detection. The detection limit of o-tyrosine was 0.01 ppm and the linear range of calibration and the relative standard deviation of analysis was 50 ng and 4-13%, respectively. The amounts of the tyrosines increased with the irradiation level up to 10 k Gy and no further tyrosine formation was observed when the dose level was increased. At a constant dose level, the yield of tyrosines initially increased with the phenylalanine concentration, while with further increase of phenylalanine concentration no effect on increase of tyrosine yield was observed. When the dose rate was varying from 2.3 k Gy/h to 1.2 k Gy/h with a total amount of 10 k Gy in each case, there was no significant effect on tyrosine isomers formation was observed. Also the results showed that tyrosine yield was affected by temperature, p H and the presence of oxygen

Radiation chemistry of amino acids and peptides in aqueous solutions

International Nuclear Information System (INIS)

Simic, M.G.

1978-01-01

Radiation chemistry relevant to radiation preservation of high protein foods is reviewed. Some conclusions concerning the chemistry of irradiated amino acids, peptides, and proteins have been derived from product analysis of γ-irradiated solutions while the main mechanistic considerations result from the chemistry and kinetics of free radical intermediates observed by pulse radiolysis. The precursors of chemistry in not too concentrated solutions ( - , OH, and H. Their reactivity with molecules and their preference for characteristic groups within the molecule are discussed. The reviewed reactions of the model systems are accountable for a variety of radiolytic products found in irradiated foods. From detailed understanding of radiation chemistry in aqueous and frozen systems formation of many classes of compounds can be predicted or entirely eliminated in order to corroborate and extend the conclusions reached from the animal feeding experiments concerning the formation of toxic, mutagenic, and carcinogenic compounds and/or reduction of the nutritional value of foods

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

Science.gov (United States)

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

2016-01-01

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 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. PMID:27649239

Extraction of Biomolecules Using Phosphonium-Based Ionic Liquids + K3PO4 Aqueous Biphasic Systems

Science.gov (United States)

Louros, Cláudia L. S.; Cláudio, Ana Filipa M.; Neves, Catarina M. S. S.; Freire, Mara G.; Marrucho, Isabel M.; Pauly, Jérôme; Coutinho, João A. P.

2010-01-01

Aqueous biphasic systems (ABS) provide an alternative and efficient approach for the extraction, recovery and purification of biomolecules through their partitioning between two liquid aqueous phases. In this work, the ability of hydrophilic phosphonium-based ionic liquids (ILs) to form ABS with aqueous K3PO4 solutions was evaluated for the first time. Ternary phase diagrams, and respective tie-lines and tie-lines length, formed by distinct phosphonium-based ILs, water, and K3PO4 at 298 K, were measured and are reported. The studied phosphonium-based ILs have shown to be more effective in promoting ABS compared to the imidazolium-based counterparts with similar anions. Moreover, the extractive capability of such systems was assessed for distinct biomolecules (including amino acids, food colourants and alkaloids). Densities and viscosities of both aqueous phases, at the mass fraction compositions used for the biomolecules extraction, were also determined. The evaluated IL-based ABS have been shown to be prospective extraction media, particularly for hydrophobic biomolecules, with several advantages over conventional polymer-inorganic salt ABS. PMID:20480041

Flexibility Study of a Liquid Food Production Process

DEFF Research Database (Denmark)

Cheng, Hongyuan; Friis, Alan

2006-01-01

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....

Crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics for immobilization of simulated sulfate bearing high-level liquid waste

Science.gov (United States)

Wu, Lang; Xiao, Jizong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang; Liao, Qilong

2018-01-01

The crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics with different content (0-30 wt %) of simulated sulfate bearing high-level liquid waste (HLLW) were evaluated. The sulfate phase segregation in vitrification process was also investigated. The results show that the glass-ceramics with 0-20 wt% of HLLW possess mainly zirconolite phase along with a small amount baddeleyite phase. The amount of perovskite crystals increases while the amount of zirconolite crystals decreases when the HLLW content increases from 20 to 30 wt%. For the samples with 20-30 wt% HLLW, yellow phase was observed during the vitrification process and it disappeared after melting at 1150 °C for 2 h. The viscosity of the sample with 16 wt% HLLW (HLLW-16) is about 27 dPa·s at 1150 °C. The addition of a certain amount (≤20 wt %) of HLLW has no significant change on the aqueous stability of glass-ceramic waste forms. After 28 days, the 90 °C PCT-type normalized leaching rates of Na, B, Si, and La of the sample HLLW-16 are 7.23 × 10-3, 1.57 × 10-3, 8.06 × 10-4, and 1.23 × 10-4 g·m-2·d-1, respectively.

A new force field including charge directionality for TMAO in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Usui, Kota; Nagata, Yuki, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de; Hunger, Johannes; Bonn, Mischa [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Sulpizi, Marialore, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de [Johannes Gutenberg University Mainz, Staudingerweg 7, 55099 Mainz (Germany)

2016-08-14

We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O{sub TMAO}) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O{sub TMAO} to mimic the O{sub TMAO} lone pairs and we migrate the negative charge on the O{sub TMAO} to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

A new force field including charge directionality for TMAO in aqueous solution

International Nuclear Information System (INIS)

Usui, Kota; Nagata, Yuki; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

2016-01-01

We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O TMAO ) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O TMAO to mimic the O TMAO lone pairs and we migrate the negative charge on the O TMAO to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

Materials Applications for Non-Lethal: Aqueous Foams

Energy Technology Data Exchange (ETDEWEB)

GOOLSBY,TOMMY D.; SCOTT,STEVEN H.

1999-09-15

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

Materials Applications for Non-Lethal: Aqueous Foams

International Nuclear Information System (INIS)

GOOLSBY, TOMMY D.; SCOTT, STEVEN H.

1999-01-01

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 be

Factors responsible for the aggregation behavior of hydrophobic polyelectrolyte PEA in aqueous solution studied by molecular dynamics simulations.

Science.gov (United States)

Sappidi, Praveenkumar; Natarajan, Upendra

2017-08-01

Self-association (i.e. interchain aggregation) behavior of atactic poly(ethacrylic acid) PEA in dilute aqueous solution as function of degree-of-neutralization by Na + counter-ions (i.e. charge fraction f) was investigated by molecular dynamics simulations. Aggregation is found to occur in the range 0≤f≤0.7 in agreement with experimental results compared at specified polymer concentration C p =0.36mol/l in dilute solution. The macromolecular solution was characterized and analysed for radius-of-gyration, torsion angle distribution, inter and intra-molecular hydrogen bonds, radial distribution functions of intermolecular and inter-atomic pairs, inter-chain contacts and solvation enthalpy. The PEA chains form aggregate through attractive inter-chain interaction via hydrogen bonding, in the range fenthalpy. The PEA solvation enthalpy becomes increasingly favorable with increase in f. The transition enthalpy change, in going from uncharged (acid) state to fully charged state (f=1) is unfavorable towards aggregate formation. Copyright © 2017 Elsevier Inc. All rights reserved.

Potential of mean force for ion pairs in non-aqueous solvents. Comparison of polarizable and non-polarizable MD simulations

Science.gov (United States)

Odinokov, A. V.; Leontyev, I. V.; Basilevsky, M. V.; Petrov, N. Ch.

2011-01-01

Potentials of mean force (PMF) are calculated for two model ion pairs in two non-aqueous solvents. Standard non-polarizable molecular dynamics simulation (NPMD) and approximate polarizable simulation (PMD) are implemented and compared as tools for monitoring PMF profiles. For the polar solvent (dimethylsulfoxide, DMSO) the PMF generated in terms of the NPMD reproduces fairly well the refined PMD-PMF profile. For the non-polar solvent (benzene) the conventional NPMD computation proves to be deficient. The validity of the correction found in terms of the approximate PMD approach is verified by its comparison with the result of the explicit PMD computation in benzene. The shapes of the PMF profiles in DMSO and in benzene are quite different. In DMSO, owing to dielectric screening, the PMF presents a flat plot with a shallow minimum positioned in the vicinity of the van der Waals contact of the ion pair. For the benzene case, the observed minimum proves to be unexpectedly deep, which manifests the formation of a tightly-binded contact ion pair. This remarkable effect arises owing to the strong electrostatic interaction that is incompletely screened by a non-polar medium. The PMFs for the binary benzene/DMSO mixtures display intermediate behaviour depending on the DMSO content.

Comparison between Different Extraction Methods for Determination of Primary Aromatic Amines in Food Simulant

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Morteza Shahrestani

2018-01-01

Full Text Available The primary aromatic amines (PAAs are food contaminants which may exist in packaged food. Polyurethane (PU adhesives which are used in flexible packaging are the main source of PAAs. It is the unreacted diisocyanates which in fact migrate to foodstuff and then hydrolyze to PAAs. These PAAs include toluenediamines (TDAs and methylenedianilines (MDAs, and the selected PAAs were 2,4-TDA, 2,6-TDA, 4,4′-MDA, 2,4′-MDA, and 2,2′-MDA. PAAs have genotoxic, carcinogenic, and allergenic effects. In this study, extraction methods were applied on a 3% acetic acid as food simulant which was spiked with the PAAs under study. Extraction methods were liquid-liquid extraction (LLE, dispersive liquid-liquid microextraction (DLLME, and solid-phase extraction (SPE with C18 ec (octadecyl, HR-P (styrene/divinylbenzene, and SCX (strong cationic exchange cartridges. Extracted samples were detected and analyzed by HPLC-UV. In comparison between methods, recovery rate of SCX cartridge showed the best adsorption, up to 91% for polar PAAs (TDAs and MDAs. The interested PAAs are polar and relatively soluble in water, so a cartridge with cationic exchange properties has the best absorption and consequently the best recoveries.

Influence of emulsion nature on radiation response of β-carotene in an aqueous medium

International Nuclear Information System (INIS)

Bhushan, B.; Tobback, P.; Snauwaert, F.; Maes, E.

1978-01-01

The radiation response of β-carotene was followed in lipid solvents and in aqueous preparations. The nature of the solvent was found to have a marked influence on the response of β-carotene to γ-radiation. In aqueous emulsions radiation destruction of β-carotene was far less than that observed in solutions. Oil in water (O/W) emulsions of petroleum ether offered maximum protection to β-carotene against radiation damage. This observation was attributed to the multiphase nature of the emulsion since a transparent aqueous preparation was observed to offer no protection upon irradiation. Solubility of crystalline β-carotene in water was found to increase with the emulsifier concentration. Irradiation revealed that the extent of β-carotene destruction was dose dependent and increased with the solubility of β-carotene in water. In the presence of a free radical scavenger DPPH β-carotene exhibited varied radiation response depending upon the nature of solvents used. Thus, in transparent aqueous preparations the protection afforded by added DPPH to β-carotene was almost complete, while its influence was insignificant in O/W emulsions. The significance of these observations in radiation processing of foods is discussed. (author)

Molecular dynamics simulation of cyclodextrin aggregation and extraction of Anthracene from non-aqueous liquid phase

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xinzhe [Shenzhen Key Laboratory for Coastal Ocean Dynamic and Environment, Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); School of Environment, Tsinghua University, Beijing 100084 (China); Wu, Guozhong [Shenzhen Key Laboratory for Coastal Ocean Dynamic and Environment, Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Chen, Daoyi, E-mail: chen.daoyi@sz.tsinghua.edu.cn [Shenzhen Key Laboratory for Coastal Ocean Dynamic and Environment, Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China)

2016-12-15

Cyclodextrin (CD) extraction is widely used for the remediation of polycyclic aromatic hydrocarbons (PAH) pollution, but it remains unclear about the influence of CD aggregation on the PAH transport from non-aqueous liquid phase to water. The atomistic adsorption and complexation of PAHs (32 anthracenes) by CD aggregates (48 β-cyclodextrins) were studied by molecular dynamics simulations at hundreds of nanoseconds time scale. Results indicated that high temperature promoted the βCD aggregation in bulk oil, which was not found in bulk water. Nevertheless, the fractions of anthracenes entrapped inside the βCDs cavity in both scenarios were significantly increased when temperature increased from 298 to 328 K. Free energy calculation for the sub-steps of CD extraction demonstrated that the anthracenes could be extracted when the βCDs arrived at the water-oil interface or after the βCDs entered the bulk oil. The former was kinetic-controlled while the latter was thermodynamic-limited process. Results also highlighted the formation of porous structures by CD aggregates in water, which was able to sequestrate PAH clusters with the size obviously larger than the cavity diameter of individual CD. This provided an opportunity for the extraction of recalcitrant PAHs with molecular size larger than anthracenes by cyclodextrins.

Physicochemical data on aqueous polymeric systems of methyl cellulose and lambda- and kappa-carrageenan: SAXS, rheological, densitometry, and sound velocity measurements

Directory of Open Access Journals (Sweden)

Jure Cerar

2017-12-01

Full Text Available General as well as more specific physicochemical data obtained by studying the structure and various dynamical properties of aqueous polymer systems of methyl cellulose, λ−carrageenan, and κ−carrageenan are presented in graphical and numeric tabular form. The data provide basic polymer characterization info as also a specific structural and dynamical info for aqueous solutions of three industrially very important polymers (food additives that are available commercially. The commercial availability has much bigger impact to applications, research and connected advances, when the basic substances are well characterized – a feature that is still missing for many commercially available polymers unfortunately. Keywords: Food-grade polymers, Basic polymer characterization, Methyl cellulose, kappa-Carrageenan, lambda-Carrageenan

Effects of the 2008 flood on economic performance and food security in Yemen: a simulation analysis.

Science.gov (United States)

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

2016-04-01

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. © 2016 The Author(s). Disasters © Overseas Development Institute, 2016.

Quality-by-design based development of a self-microemulsifying drug delivery system to reduce the effect of food on Nelfinavir mesylate.

Science.gov (United States)

Kamboj, Sunil; Rana, Vikas

2016-03-30

Poor aqueous solubility and moderate permeability of Nelfinavir mesylate (NFM) leads to high variability in absorption after oral administration. To improve the solubility and bioavailability of NFM, the self microemulsifying drug delivery system (SMEDDS) was developed. For this purpose, Quality by design (QbD) approach employing D-optimal mixture design was used to prepare SMEDDS of NFM. Further, the software generated numerically optimized SMEDDS were developed by utilizing desirability function. Maisine 35-1, Tween 80, and Transcutol HP were identified as oil, surfactant, and co-surfactant that had best solubility for NFM. Ternary phase diagrams were plotted to identify the self-emulsification region. Dissolution of putative NFM in simulated fasted or fed small intestinal conditions, respectively, predicted that there is a positive food effect. However, NFM loaded SMEDDS showed absence of food effect with no significant difference in dissolution performance either in Fasted or fed state simulated intestinal fluid (FaSSIF or FeSSIF) biorelevent dissolution media. The prepared SMEDDS were thermodynamically stable with droplet size (121 nm), poly dispersity index (PDI) (0.198) and emulsification time (food effect on pure NFM suspension. However, absence of food effect and 3.5-3.6 fold enhancement in the oral bioavailability was observed when NFM was formulated into SMEDDS. Thus, it could be envisaged that development of SMEDDS formulation of NFM could be one of the best alternative to enhance oral bioavailability of NFM. Copyright © 2016 Elsevier B.V. All rights reserved.

Influence of polymer swelling and dissolution into food simulants on the release of graphene nanoplates and carbon nanotubes from poly(lactic) acid and polypropylene composite films

OpenAIRE

Velichkova, Hristiana; Petrova, Ivanka; Kotsilkov, Stanislav; Ivanov, Evgeni; Vitanov, Nikolay K.; Kotsilkova, Rumiana

2017-01-01

The study compared the effects of swelling and dissolution of a matrix polymer by food simulants on the release of graphene nanoplates (GNPs) and multiwall carbon nanotubes (MWCNTs) from poly(lactic) acid (PLA) and polypropylene (PP) composite films. The total migration was determined gravimetrically in the ethanol and acetic acid food simulants at different time and temperature conditions, while migrants were detected by laser diffraction analysis and transmission electron microscopy. Swelli...

Protective effect of aqueous extract from Spirulina platensis against cell death induced by free radicals

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Radhakrishnan Ammu

2010-09-01

Full Text Available Abstract Background Spirulina is a commercial alga well known to contain various antioxidants, especially phycocyanin. Apart from being sold as a nutraceutical, Spirulina is incorporated as a functional ingredient in food products and beverages. Most of the previous reports on antioxidant activity of Spirulina were based on chemical rather than cell-based assays. The primary objective of this study was to assess the antioxidant activity of aqueous extract from Spirulina based on its protective effect against cell death induced by free radicals. Methods The antioxidant activity of the cold water extract from food-grade Spirulina platensis was assessed using both chemical and cell-based assays. In the cell-based assay, mouse fibroblast cells (3T3 cells were incubated for 1 h in medium containing aqueous extract of Spirulina or vitamin C (positive control at 25, 125 and 250 μg/mL before the addition of 50 μM 1,1-diphenyl-2-picrylhydrazyl (DPPH or 3-ethylbenzothiazoline-6-sulfonic acid (ABTS. The cells were incubated for another 24 h before being assessed for cell death due to apoptosis using the Cell Death Detection ELISA Kit. Spectrophotometric assays based on DPPH and ABTS were also used to assess the antioxidant activity of the extract compared to vitamin C and vitamin E (positive controls. Results Spirulina extract did not cause cytotoxic effect on 3T3 cells within the range of concentrations tested (0 - 250 μg/mL. The extract reduced significantly (p Conclusions The results showed that aqueous extract of Spirulina has a protective effect against apoptotic cell death due to free radicals. The potential application of incorporating Spirulina into food products and beverages to enhance their antioxidant capacity is worth exploring.

ICP OES Determination of Contaminant Elements Leached from Food Packaging Films

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Éder José dos Santos

2017-08-01

Full Text Available ABSTRACT Determination of potential contaminants elements in food packing films arising from contact with acidic aqueous foods was undertaken by inductively coupled plasma optical emission spectrometry (ICP OES in accordance with DIN EN 1186-1. Test sections from plastic films were totally immersed in 3% w/v CH3COOH used as the food simulant. Testing was conducted under three conditions: (1 10 days at 40 ºC; (2 30 min at 70 ºC and 10 days at 40 ºC; and (3 30 min at 100 ºC and 10 days at 40 ºC. These time and temperature conditions were considered to be the most severe situations likely to be encountered in practice. Several different containers were investigated, including a borosilicate glass beaker, a glass bottle used for food canning, as well as one of polystyrene. The glass bottle was selected for testing treatments according to procedure (3 and a polystyrene one was chosen for use with procedures (1 and (2. Limits of quantitation were adequate for the determination of Ag, B, Ba, Cd, Cr, Cu, Pb, Sb, Sn and Zn by solution nebulization ICP OES and As by chemical vapor generation (CVG-ICP OES. Results for the analysis of AccuStandard certified reference materials as well as spike recoveries show good agreement with expected concentrations, demonstrating the accuracy and precision of the determinations. Eleven samples of food packing material were analyzed. The lead was present in the range 4.8 - 85.3 µg L-1 in 10 of 11 evaluated packing material, showing the importance of quality control measures.

Conformational change of oil contaminants adhered onto crystalline alpha-alumina surface in aqueous solution

International Nuclear Information System (INIS)

Xie, Wenkun; Sun, Yazhou; Liu, Haitao; Fu, Hongya; Liang, Yingchun

2016-01-01

Graphical abstract: - Highlights: • Dynamic conformational change process of oil contaminations adhered onto Al-terminated α-Al_2O_3 surface in aqueous solution is given. • Effect of water penetration on the conformational change and even detachment of oil contaminants is considered. • Change of driving forces leading to the conformational change of oil contaminants is described. - Abstract: Microscopic conformational change of oil contaminants adhered onto perfect α-Al_2O_3 (0001) surface in the aqueous solution was simulated by means of detailed fully atomistic molecular dynamics simulations. The main driving forces of the conformation change process of the oil contaminants were explored. The simulation results indicate that with submerging of the contaminated α-Al_2O_3 (0001) surface into the aqueous solution, the oil contaminants undertake an evident conformational change process. The dynamic process can be divided into several stages, including early penetration of water molecules, formation and widening of water channel, and generation of molecularly adsorbed hydration layers. Moreover, the oil contaminants on the α-Al_2O_3 surface are not fully removed from solid surface after a 10 ns relaxation, while a relatively stable oil/water/solid three-phase interface is gradually formed. Further, the residual oil contaminants are finally divided into several new ordered molecular adsorption layers. In addition, by systemically analyzing the driving forces for the conformational change of the oil contaminants, the penetration of water molecules is found to be the most important driving force. With penetrating of the water molecules, the dominating interactions controlling the conformational change of the oil contaminants have been changing over the whole simulation.

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

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Giuseppina Mandalari

2016-09-01

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.

Adaptive resolution simulation of salt solutions

International Nuclear Information System (INIS)

Bevc, Staš; Praprotnik, Matej; Junghans, Christoph; Kremer, Kurt

2013-01-01

We present an adaptive resolution simulation of aqueous salt (NaCl) solutions at ambient conditions using the adaptive resolution scheme. Our multiscale approach concurrently couples the atomistic and coarse-grained models of the aqueous NaCl, where water molecules and ions change their resolution while moving from one resolution domain to the other. We employ standard extended simple point charge (SPC/E) and simple point charge (SPC) water models in combination with AMBER and GROMOS force fields for ion interactions in the atomistic domain. Electrostatics in our model are described by the generalized reaction field method. The effective interactions for water–water and water–ion interactions in the coarse-grained model are derived using structure-based coarse-graining approach while the Coulomb interactions between ions are appropriately screened. To ensure an even distribution of water molecules and ions across the simulation box we employ thermodynamic forces. We demonstrate that the equilibrium structural, e.g. radial distribution functions and density distributions of all the species, and dynamical properties are correctly reproduced by our adaptive resolution method. Our multiscale approach, which is general and can be used for any classical non-polarizable force-field and/or types of ions, will significantly speed up biomolecular simulation involving aqueous salt. (paper)

Photochemical Formation of Hydroxylated Polybrominated Diphenyl Ethers (OH-PBDEs) from Polybrominated Diphenyl Ethers (PBDEs) in Aqueous Solution under Simulated Solar Light Irradiation.

Science.gov (United States)

Zhao, Qian; Zhao, Huimin; Quan, Xie; He, Xin; Chen, Shuo

2015-08-04

Hydroxylated polybrominated diphenyl ethers (OH-PBDEs) are of great concern due to their higher toxicity compared to PBDEs. However, the abiologic process whereby PBDEs are converted to OH-PBDEs in the aquatic environment is not well understood. To explore the possibility of OH-PBDEs photoformation in natural water, the photohydroxylation of BDE-47 has been investigated in aqueous Fe(III) and/or fulvic acid (FA) solutions and in natural lake water under simulated solar light irradiation. The results showed that 6-OH-BDE-47 and 2'-OH-BDE-68 were generated from BDE-47 under these conditions. Based on the identification of derivatives and reactive radicals, OH-PBDEs formation can be ascribed to an addition reaction of ortho-tetra-BDE radical and hydroxyl radical ((•)OH), with or without a subsequent Smiles rearrangement reaction. Since the ortho-tetra-BDE radical could be readily produced by the photolysis of BDE-47, even in pure water, (•)OH production was considered as critical for the photoformation of OH-PBDEs. Thus, it is reasonable to deduce that the photoreactive components (Fe(III), FA) in aqueous solution played an important role through influencing (•)OH generation. Although the yields of OH-PBDEs did not increase regularly with increasing concentration of these photoreactive components in solution, this study suggests a possible abiotic origin of OH-PBDEs formation in the aquatic environment.

MIPs in Aqueous Environments.

Science.gov (United States)

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

2015-01-01

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.

Aqueous electrolytes for redox flow battery systems

Science.gov (United States)

Liu, Tianbiao; Li, Bin; Wei, Xiaoliang; Nie, Zimin; Wang, Wei; Liu, Jun; Sprenkle, Vincent L.

2017-10-17

An aqueous redox flow battery system includes an aqueous catholyte and an aqueous anolyte. The aqueous catholyte may comprise (i) an optionally substituted thiourea or a nitroxyl radical compound and (ii) a catholyte aqueous supporting solution. The aqueous anolyte may comprise (i) metal cations or a viologen compound and (ii) an anolyte aqueous supporting solution. The catholyte aqueous supporting solution and the anolyte aqueous supporting solution independently may comprise (i) a proton source, (ii) a halide source, or (iii) a proton source and a halide source.

Image analysis of food particles can discriminate deficient mastication of mixed foodstuffs simulating daily meal.

Science.gov (United States)

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

2014-03-01

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. © 2014 John Wiley & Sons Ltd.

Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study

NARCIS (Netherlands)

Ruiz-Hernandez, S.E.; Grau-Crespo, R.; Almora-Barrios, N.; Wolthers, M.; Ruiz-Salvador, A.R.; Fernandez, N.; Leeuw, N.H. de

2012-01-01

We have calculated the concentrations of Mg in the bulk and surfaces of aragonite CaCO3 in equilibrium with aqueous solution, based on molecular dynamics simulations and grand-canonical statistical mechanics. Mg is incorporated in the surfaces, in particular in the (001) terraces,

Exploring the sensitivity of the zone of inhibition test for leachable biocides from paper and board food contact materials, and improvements thereof.

Science.gov (United States)

Castle, L; Kelly, J; Jickells, S M; Johns, S M; Mountfort, K A

2012-01-01

The zone of inhibition method to test the release of biocides from paper and board food contact materials was evaluated. The method tests the paper by placing a small specimen directly onto culture plates of Bacillus subtilis and Aspergillus niger. The principle is that any extractable biocide will diffuse from the paper into the surrounding nutrient medium and so inhibit growth of the microorganism in the vicinity. The test was found to have insufficient sensitivity for assuring food safety, where detection limits for migration at or below the mg l(-1) (parts per million) level are needed. Also, the test does not mimic the actual or foreseeable conditions of use since most paper/board materials are not intended for direct contact with an aqueous medium for up to 3 days at 30°C (B. subtilis) or 25°C (A. niger), which are the incubation conditions used. The sensitivity of the test was increased approximately 100-fold by preparing a concentrated extract of the paper to be tested and applying this extract to the assay via a blank paper carrier. This was done using methanol as a good solvent for most biocides, as a proof of principle. Other solvents or food simulants could be used to mimic the conditions of use intended for the particular paper/board samples under examination, e.g. contact with dry, fatty, aqueous or acidic foods, hot or cold. Twenty-four plain (unconverted) paper and board samples and 100 food packaging samples were evaluated using the modified procedure. The results revealed that the method has been developed to the stage where background cytotoxic action of normal paper constituents gives a weak response. Unlike the original method, therefore, the modified method with its improved sensitivity and the facility to link with the intended food contact conditions may be considered a suitable bioassay screening test to complement chemical analysis of paper/board for composition and migration.

Study protocol: combining experimental methods, econometrics and simulation modelling to determine price elasticities for studying food taxes and subsidies (The Price ExaM Study).

Science.gov (United States)

Waterlander, Wilma E; Blakely, Tony; Nghiem, Nhung; Cleghorn, Christine L; Eyles, Helen; Genc, Murat; Wilson, Nick; Jiang, Yannan; Swinburn, Boyd; Jacobi, Liana; Michie, Jo; Ni Mhurchu, Cliona

2016-07-19

There is a need for accurate and precise food price elasticities (PE, change in consumer demand in response to change in price) to better inform policy on health-related food taxes and subsidies. The Price Experiment and Modelling (Price ExaM) study aims to: I) derive accurate and precise food PE values; II) quantify the impact of price changes on quantity and quality of discrete food group purchases and; III) model the potential health and disease impacts of a range of food taxes and subsidies. To achieve this, we will use a novel method that includes a randomised Virtual Supermarket experiment and econometric methods. Findings will be applied in simulation models to estimate population health impact (quality-adjusted life-years [QALYs]) using a multi-state life-table model. The study will consist of four sequential steps: 1. We generate 5000 price sets with random price variation for all 1412 Virtual Supermarket food and beverage products. Then we add systematic price variation for foods to simulate five taxes and subsidies: a fruit and vegetable subsidy and taxes on sugar, saturated fat, salt, and sugar-sweetened beverages. 2. Using an experimental design, 1000 adult New Zealand shoppers complete five household grocery shops in the Virtual Supermarket where they are randomly assigned to one of the 5000 price sets each time. 3. Output data (i.e., multiple observations of price configurations and purchased amounts) are used as inputs to econometric models (using Bayesian methods) to estimate accurate PE values. 4. A disease simulation model will be run with the new PE values as inputs to estimate QALYs gained and health costs saved for the five policy interventions. The Price ExaM study has the potential to enhance public health and economic disciplines by introducing internationally novel scientific methods to estimate accurate and precise food PE values. These values will be used to model the potential health and disease impacts of various food pricing policy

Study protocol: combining experimental methods, econometrics and simulation modelling to determine price elasticities for studying food taxes and subsidies (The Price ExaM Study

Directory of Open Access Journals (Sweden)

Wilma E. Waterlander

2016-07-01

Full Text Available Abstract Background There is a need for accurate and precise food price elasticities (PE, change in consumer demand in response to change in price to better inform policy on health-related food taxes and subsidies. Methods/Design The Price Experiment and Modelling (Price ExaM study aims to: I derive accurate and precise food PE values; II quantify the impact of price changes on quantity and quality of discrete food group purchases and; III model the potential health and disease impacts of a range of food taxes and subsidies. To achieve this, we will use a novel method that includes a randomised Virtual Supermarket experiment and econometric methods. Findings will be applied in simulation models to estimate population health impact (quality-adjusted life-years [QALYs] using a multi-state life-table model. The study will consist of four sequential steps: 1. We generate 5000 price sets with random price variation for all 1412 Virtual Supermarket food and beverage products. Then we add systematic price variation for foods to simulate five taxes and subsidies: a fruit and vegetable subsidy and taxes on sugar, saturated fat, salt, and sugar-sweetened beverages. 2. Using an experimental design, 1000 adult New Zealand shoppers complete five household grocery shops in the Virtual Supermarket where they are randomly assigned to one of the 5000 price sets each time. 3. Output data (i.e., multiple observations of price configurations and purchased amounts are used as inputs to econometric models (using Bayesian methods to estimate accurate PE values. 4. A disease simulation model will be run with the new PE values as inputs to estimate QALYs gained and health costs saved for the five policy interventions. Discussion The Price ExaM study has the potential to enhance public health and economic disciplines by introducing internationally novel scientific methods to estimate accurate and precise food PE values. These values will be used to model the potential

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

Science.gov (United States)

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

2007-07-25

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

Antifungal activity of some marine organisms from India, against food spoilage Aspergillus strains

Digital Repository Service at National Institute of Oceanography (India)

Bhosale, S.H.; Jagtap, T.G.; Naik, C.G.

Crude aqueous methanol extracts obtained from 31 species of various marine organisms (including floral and faunal), were screened for their antifungal activity against food poisoning strains of Aspergillus. Seventeen species exhibited mild (+ = zone...

Effects of gamma-radiation on some components of food and agricultural products (pyridoxine, folic acid, methionine)

International Nuclear Information System (INIS)

Gehlehtseanu, I.

1974-01-01

the effects of gamma radiation on individual components of food and agricultural products (Pyridoxine, folic acid, methionine) were investigated. Some of the studies have provided support for the hypothesis that the structural changes occurring in separately irradiated components of a foodstuff are greater than those taking place in the same components when present in the foodstuff. Results of irradiating pyridoxine and pyridoxal in an aqueous medium; of folic acid in aqueous solutions and in solid state; and of methionine in aqueous solutions and solid state, are given. (E.T.)

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

1986-01-01

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 that is...... reactions and provides kinetic data sufficient for computer simulations of aqueous O3/O3− chemistry.......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...

Human exposure assessment of silver and copper migrating from an antimicrobial nanocoated packaging material into an acidic food simulant.

Science.gov (United States)

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

2016-09-01

To examine the human exposure to a novel silver and copper nanoparticle (AgNP and CuNP)/polystyrene-polyethylene oxide block copolymer (PS-b-PEO) food packaging coating, the migration of Ag and Cu into 3% acetic acid (3% HAc) food simulant was assessed at 60 °C for 10 days. Significantly lower migration was observed for Ag (0.46 mg/kg food) compared to Cu (0.82 mg/kg food) measured by inductively coupled plasma - atomic emission spectrometry (ICP-AES). In addition, no distinct population of AgNPs or CuNPs were observed in 3% HAc by nanoparticle tracking analysis (NTA) and transmission electron microscopy (TEM). The predicted human exposure to Ag and Cu was used to calculate a margin of exposure (MOE) for ionic species of Ag and Cu, which indicated the safe use of the food packaging in a hypothetical scenario (e.g. as fruit juice packaging). While migration exceeded regulatory limits, the calculated MOE suggests current migration limits may be conservative for specific nano-packaging applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes

Directory of Open Access Journals (Sweden)

Eisuke Chikayama

2016-10-01

Full Text Available Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the analyzed foods. To date, there has been no web-based tool focusing on accumulating Nuclear Magnetic Resonance (NMR spectra from various types of food processing. Therefore, we have developed a novel web-based tool, FoodPro, that includes a food NMR spectrum database and computes covariance and correlation spectra to tasting and hardness. As a result, FoodPro has accumulated 236 aqueous (extracted in D2O and 131 hydrophobic (extracted in CDCl3 experimental bench-top 60-MHz NMR spectra, 1753 tastings scored by volunteers, and 139 hardness measurements recorded by a penetrometer, all placed into a core database. The database content was roughly classified into fish and vegetable groups from the viewpoint of different spectrum patterns. FoodPro can query a user food NMR spectrum, search similar NMR spectra with a specified similarity threshold, and then compute estimated tasting and hardness, covariance, and correlation spectra to tasting and hardness. Querying fish spectra exemplified specific covariance spectra to tasting and hardness, giving positive covariance for tasting at 1.31 ppm for lactate and 3.47 ppm for glucose and a positive covariance for hardness at 3.26 ppm for trimethylamine N-oxide.

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes.

Science.gov (United States)

Chikayama, Eisuke; Yamashina, Ryo; Komatsu, Keiko; Tsuboi, Yuuri; Sakata, Kenji; Kikuchi, Jun; Sekiyama, Yasuyo

2016-10-19

Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the analyzed foods. To date, there has been no web-based tool focusing on accumulating Nuclear Magnetic Resonance (NMR) spectra from various types of food processing. Therefore, we have developed a novel web-based tool, FoodPro, that includes a food NMR spectrum database and computes covariance and correlation spectra to tasting and hardness. As a result, FoodPro has accumulated 236 aqueous (extracted in D₂O) and 131 hydrophobic (extracted in CDCl₃) experimental bench-top 60-MHz NMR spectra, 1753 tastings scored by volunteers, and 139 hardness measurements recorded by a penetrometer, all placed into a core database. The database content was roughly classified into fish and vegetable groups from the viewpoint of different spectrum patterns. FoodPro can query a user food NMR spectrum, search similar NMR spectra with a specified similarity threshold, and then compute estimated tasting and hardness, covariance, and correlation spectra to tasting and hardness. Querying fish spectra exemplified specific covariance spectra to tasting and hardness, giving positive covariance for tasting at 1.31 ppm for lactate and 3.47 ppm for glucose and a positive covariance for hardness at 3.26 ppm for trimethylamine N -oxide.

Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility.

Czech Academy of Sciences Publication Activity Database

Nezbeda, Ivo; Moučka, F.; Smith, W.R.

2016-01-01

Roč. 114, č. 11 (2016), s. 1665-1690 ISSN 0026-8976 R&D Projects: GA ČR GA15-19542S Grant - others:NSERC(CA) OGP1041 Institutional support: RVO:67985858 Keywords : force fields * chemical potentials * aqueous electrolytes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.870, year: 2016

Simulation and prediction of the thuringiensin abiotic degradation processes in aqueous solution by a radius basis function neural network model.

Science.gov (United States)

Zhou, Jingwen; Xu, Zhenghong; Chen, Shouwen

2013-04-01

The thuringiensin abiotic degradation processes in aqueous solution under different conditions, with a pH range of 5.0-9.0 and a temperature range of 10-40°C, were systematically investigated by an exponential decay model and a radius basis function (RBF) neural network model, respectively. The half-lives of thuringiensin calculated by the exponential decay model ranged from 2.72 d to 16.19 d under the different conditions mentioned above. Furthermore, an RBF model with accuracy of 0.1 and SPREAD value 5 was employed to model the degradation processes. The results showed that the model could simulate and predict the degradation processes well. Both the half-lives and the prediction data showed that thuringiensin was an easily degradable antibiotic, which could be an important factor in the evaluation of its safety. Copyright © 2012 Elsevier Ltd. All rights reserved.

Progress in aqueous rechargeable batteries

OpenAIRE

Jilei Liu; Chaohe Xu; Zhen Chen; Shibing Ni; Ze Xiang Shen

2018-01-01

Over the past decades, a series of aqueous rechargeable batteries (ARBs) were explored, investigated and demonstrated. Among them, aqueous rechargeable alkali-metal ion (Li+, Na+, K+) batteries, aqueous rechargeable-metal ion (Zn2+, Mg2+, Ca2+, Al3+) batteries and aqueous rechargeable hybrid batteries are standing out due to peculiar properties. In this review, we focus on the fundamental basics of these batteries, and discuss the scientific and/or technological achievements and challenges. B...

Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.

Science.gov (United States)

Guo, Xugeng; Yuan, Huijuan; An, Beibei; Zhu, Qiuling; Zhang, Jinglai

2016-04-21

Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solventwater has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in watersolution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.

Soft matter at aqueous interfaces

CERN Document Server

Liu, Yi

2016-01-01

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.

Simulation of radionuclide transfer in agricultural food chains

International Nuclear Information System (INIS)

Matthies, M.; Eisfeld, K.; Mueller, H.; Paretzke, H.G.; Proehl, G.; Wirth, E.

1982-12-01

Radioactive releases from nuclear facilities could pose longterm potential hazards to man if radionuclides enter food chains leading to man. The aim of the study was to develop radioecological and dosimetric models for the assessments of the activity intake by man via ingestion and the resulting radiation exposure for members of the population, in particular after accidental releases from fuel reprocessing plants and related installations. A dynamic compartment model for the transfer of radionuclides through agricultural food chains has been developed. Special emphasis is given to the time dependence and the biological and site specific variability of the various transfer and accumulation processes. Agricultural practices representative for Western Europe have been taken into consideration for food production (grain, potatoes, vegetables, beef and pork, milk). For the most relevant long-lived radionuclides a short-term initial deposition of 1 Ci/km 2 on agricultural areas at different months has been assumed and the time dependent transport through various food chains has been assessed. As a main result great differences have been calculated for the various months of releases because of plant foliar uptake and translocation into edible parts of the plants during the vegetation cycle. The potential activity intake over 50 years for the various nuclides and the resulting radiation exposure is dominated by the first two years after the release if no food restrictions are assumed. (orig./MG) [de

Final product analysis in the e-beam and gamma radiolysis of aqueous solutions of metoprolol tartrate

Energy Technology Data Exchange (ETDEWEB)

Slegers, Catherine [Universite Catholique de Louvain, Unite d' Analyse Chimique et Physico-chimique des Medicaments, CHAM 72.30, Avenue E. Mounier, 72, B-1200 Brussels (Belgium)]. E-mail: catherine.slegers@cham.ucl.ac.be; Tilquin, Bernard [Universite Catholique de Louvain, Unite d' Analyse Chimique et Physico-chimique des Medicaments, CHAM 72.30, Avenue E. Mounier, 72, B-1200 Brussels (Belgium)

2006-09-15

The radiostability of metoprolol tartrate aqueous solutions and the influence of the absorbed dose (0-50 kGy), dose rate (e-beam (EB) vs. gamma ({gamma})) and radioprotectors (pharmaceutical excipients) are investigated by HPLC-UV analyses and through computer simulations. The use of radioprotecting excipients is more promising than an increase in the dose rate to lower the degradation of metoprolol tartrate aqueous solutions for applications such as radiosterilization. The decontamination of metoprolol tartrate from waste waters by EB processing appears highly feasible.

Aqueous lithium air batteries

Science.gov (United States)

Visco, Steven J.; Nimon, Yevgeniy S.; De Jonghe, Lutgard C.; Petrov, Alexei; Goncharenko, Nikolay

2017-05-23

Aqueous Li/Air secondary battery cells are configurable to achieve high energy density and prolonged cycle life. The cells include a protected a lithium metal or alloy anode and an aqueous catholyte in a cathode compartment. The aqueous catholyte comprises an evaporative-loss resistant and/or polyprotic active compound or active agent that partakes in the discharge reaction and effectuates cathode capacity for discharge in the acidic region. This leads to improved performance including one or more of increased specific energy, improved stability on open circuit, and prolonged cycle life, as well as various methods, including a method of operating an aqueous Li/Air cell to simultaneously achieve improved energy density and prolonged cycle life.

Thermal Simulation of the Fresh Food Compartment in a Domestic Refrigerator

Directory of Open Access Journals (Sweden)

Juan M. Belman-Flores

2017-01-01

Full Text Available In the field of domestic refrigeration, it is important to look for methods that can be used to simulate, and, thus, improve the thermal behavior of the fresh food compartment. In this sense, this study proposes some methods to model the thermal behavior of this compartment when the shelves’ positions are changed. Temperature measurements at specific locations in this compartment were obtained. Several shelf position combinations were performed to use three 2D interpolation methods in order to simulate the temperature mean and the temperature variance. The methods used were: Lagrange’s interpolation, cubic spline interpolation and bilinear interpolation. Two validation points were chosen to verify the proposed methods. By comparing the experimental results with the computer simulations, it was possible to conclude that the method of Lagrange’s interpolation provided values that were not close to the real measured values. On the other hand, it was observed that the method of bilinear interpolation offered the best results, estimating values which were very close to the actual experimental measurements. These interpolation methods were used to build color thermal graphs that can be used to find some of the most appropriate shelf position combinations in this type of refrigerator. By inspection of these thermal graphs, it can be seen that the lowest average temperature was obtained when one shelf was located at 24.5 cm while the second shelf was located at 29.5 cm measured from the top of the compartment. In the same way, it can be seen that the minimum temperature variance was obtained when only one shelf was inside the compartment and this shelf was located at 29.5 cm.

Evaluation of wound healing properties of bioactive aqueous fraction from Moringa oleifera Lam on experimentally induced diabetic animal model

Directory of Open Access Journals (Sweden)

Muhammad AA

2016-05-01

Full Text Available Abubakar Amali Muhammad,1 Palanisamy Arulselvan,1 Cheah Pike See,2 Farida Abas,3 Sharida Fakurazi1,2 1Laboratory of Vaccine and Immunotherapeutics, Institute of Bioscience, 2Unit of Anatomy, Department of Human Anatomy, Faculty of Medicine and Health Sciences, 3Department of Food Science, Faculty of Food Science and Technology, Universiti Putra Malaysia, Serdang, Malaysia Abstract: Diabetic foot ulcer is a serious complication of diabetes, which affects a significant percentage (15% of diabetics and up to 15%–24% of those affected may require amputation. Therefore, the economic burden of diabetic foot ulcers is enormous and is associated with high cost of treatment and prolongs hospitalization. The present study was conducted to evaluate antibacterial and in vivo wound healing activities of an aqueous fraction of Moringa oleifera on a diabetic condition. Antibacterial activity testing was carried out using agar well and tube dilution techniques. The in vivo study was conducted using six groups of animals that comprise of one normal and diabetic control group each, three treatment groups of 0.5%, 1%, and 2% w/w aqueous fraction, and a positive control group (1% w/w silver sulfadiazine. Rats were induced with diabetes using a combination of streptozotocin 65 and 150 mg/kg nicotinamide daily for 2 days, and excision wounds were created and treated with various doses (0.5%, 1%, and 2% w/w aqueous fraction daily for 21 days. Biophysical, histological, and biochemical parameters were investigated. The results of the study revealed that aqueous fraction possessed antibacterial activity through inhibition of growth of Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli organisms. The topical application of aqueous fraction revealed enhancement of wound healing under sustained hyperglycemic condition for the duration of the experiment. This enhancement was achieved through decreased wound size, improved wound contraction, and tissue

[Influences of ion-suppressors on retention behaviors of nine food additives in reversed-phase high performance liquid chromatographic separation].

Science.gov (United States)

Zhao, Yonggang; Chen, Xiaohong; Li, Xiaoping; Yao, Shanshan; Jin, Micong

2011-10-01

The influences of ion-suppressors on retention behaviors of nine food additives, i.e., acesulfame, saccharin, caffeine, aspartame, benzoic acid, sorbic acid, stevioside, dehydroacetic acid and neotame in reversed-phase high performance liquid chromatographic (RP-HPLC) separation were investigated. The organic modification effects of acids, i. e. , trifluoroacetic acid (TFA) and buffer salts, i. e. , TFA-ammonium acetate (AmAc) were studied emphatically. The relationships between retention factors of solutes and volume percentages of ion-suppressors in the mobile phase systems of acetonitrile-TFA aqueous solution and acetonitrile-TFA-AmAc aqueous solution were quantitatively established, separately. The separation of nine food additives was completed by a gradient elution with acetonitrile-TFA (0.01%, v/v)-AmAc (2. 5 mmol/L) aqueous solution as the mobile phases. An RP-HPLC method was established for the simultaneous determination of nine food additives in red wine. In the range of 10. 0 - 100. 0 mg/L, nine food additives showed good linearity with the correlation coefficients ( r2 ) larger than 0. 999 1. The limits of detection (LODs) were in the range of 0. 33 - 2. 36 mg/L and the limits of quantification (LOQs) were in the range of 1. 11 - 7. 80 mg/L. The spiked recoveries were between 87. 61% and 108. 4% with the relative standard deviations (RSDs) of 2. 2% -9. 4%. These results are of referential significance for the rapid establishment and accu- rate optimization of RP-HPLC separation for the simultaneous determination of food additives in other foods.

Elimination of N-nitrosamines and their precusors in some foods by 60Co γ-ray irradiation

International Nuclear Information System (INIS)

Hu Jifan; He Yingqiang; Song Puju

1987-01-01

N-Dimethylnitrosamine (NDMA) in some marine foods, such as dried shrimp, fish meal and salted fish, was drastically reduced by γ-ray irradiation with 60 Co. The shrimp contained 54.6 ppb NDMA, but only 29.3, 8.8, 11.4, and 1.9 ppb were detected after irradiation with doses of 5, 10, 15 and 20 kGy. The corresponding reduction was 46.3%, 83.9%, 79.1%, and 96.6%, respectively. Similar results were also obtained in other two kinds of foods. NDMA could be completely eliminated by the irradiation in aqueous solution, which was much more markable than that in food samples. The major irradiated products of NDMA were dimethylamine and nitrous acid, but no re-formation of nitrosamines took place. 60 Co irradiation also significantly decreased the content of nitrite in salted fish and in aqueous solution. No effect on nitrate could be observed

Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes

Science.gov (United States)

Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2018-06-01

The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.

A plant-wide aqueous phase chemistry module describing pH variations and ion speciation/pairing in wastewater treatment process models

DEFF Research Database (Denmark)

Flores Alsina, Xavier; Kazadi Mbamba, Christian; Solon, Kimberly

2015-01-01

at different cationic/anionic loads. In this way, the general applicability/flexibility of the proposed approach is demonstrated, by implementing the aqueous phase chemistry module in some of the most frequently used WWTP process simulation models. Finally, it is shown how traditional wastewater modelling......, but unavoidable, additional degree of complexity when representing cationic/anionic behaviour in Activated Sludge (AS)/Anaerobic Digestion (AD) systems. In this paper, a plant-wide aqueous phase chemistry module describing pH variations plus ion speciation/pairing is presented and interfaced with industry......) in order to reduce the overall stiffness of the system, thereby enhancing simulation speed. Additionally, a multi-dimensional version of the Newton-Raphson algorithm is applied to handle the existing multiple algebraic inter-dependencies. The latter is reinforced with the Simulated Annealing method...

Multiphase simulation of mine waters and aqueous leaching processes

Directory of Open Access Journals (Sweden)

Pajarre Risto

2016-01-01

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.

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

2015-10-01

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.

Nonlinear Porous Diffusion Modeling of Hydrophilic Ionic Agrochemicals in Astomatous Plant Cuticle Aqueous Pores: A Mechanistic Approach.

Science.gov (United States)

Tredenick, Eloise C; Farrell, Troy W; Forster, W Alison; Psaltis, Steven T P

2017-01-01

The agricultural industry requires improved efficacy of sprays being applied to crops and weeds in order to reduce their environmental impact and deliver improved financial returns. Enhanced foliar uptake is one means of improving efficacy. The plant leaf cuticle is known to be the main barrier to diffusion of agrochemicals within the leaf. The usefulness of a mathematical model to simulate uptake of agrochemicals in plant cuticles has been noted previously in the literature, as the results of each uptake experiment are specific to each formulation of active ingredient, plant species and environmental conditions. In this work we develop a mathematical model and numerical simulation for the uptake of hydrophilic ionic agrochemicals through aqueous pores in plant cuticles. We propose a novel, nonlinear, porous diffusion model for ionic agrochemicals in isolated cuticles, which extends simple diffusion through the incorporation of parameters capable of simulating: plant species variations, evaporation of surface droplet solutions, ion binding effects on the cuticle surface and swelling of the aqueous pores with water. We validate our theoretical results against appropriate experimental data, discuss the key sensitivities in the model and relate theoretical predictions to appropriate physical mechanisms. Major influencing factors have been found to be cuticle structure, including tortuosity and density of the aqueous pores, and to a lesser extent humidity and cuticle surface ion binding effects.

Nonlinear Porous Diffusion Modeling of Hydrophilic Ionic Agrochemicals in Astomatous Plant Cuticle Aqueous Pores: A Mechanistic Approach

Directory of Open Access Journals (Sweden)

Eloise C. Tredenick

2017-05-01

Full Text Available The agricultural industry requires improved efficacy of sprays being applied to crops and weeds in order to reduce their environmental impact and deliver improved financial returns. Enhanced foliar uptake is one means of improving efficacy. The plant leaf cuticle is known to be the main barrier to diffusion of agrochemicals within the leaf. The usefulness of a mathematical model to simulate uptake of agrochemicals in plant cuticles has been noted previously in the literature, as the results of each uptake experiment are specific to each formulation of active ingredient, plant species and environmental conditions. In this work we develop a mathematical model and numerical simulation for the uptake of hydrophilic ionic agrochemicals through aqueous pores in plant cuticles. We propose a novel, nonlinear, porous diffusion model for ionic agrochemicals in isolated cuticles, which extends simple diffusion through the incorporation of parameters capable of simulating: plant species variations, evaporation of surface droplet solutions, ion binding effects on the cuticle surface and swelling of the aqueous pores with water. We validate our theoretical results against appropriate experimental data, discuss the key sensitivities in the model and relate theoretical predictions to appropriate physical mechanisms. Major influencing factors have been found to be cuticle structure, including tortuosity and density of the aqueous pores, and to a lesser extent humidity and cuticle surface ion binding effects.

Food components with anticaries activity.

Science.gov (United States)

Gazzani, Gabriella; Daglia, Maria; Papetti, Adele

2012-04-01

Caries is the most common oral infectious disease in the world. Its development is influenced also by diet components that interfere with pathogen mutans group Streptococci (MGS) activity. A very active research to identify functional foods and their components that are generally recognised as safe has been ongoing, with the aim of developing alternative approaches, to the use of synthetic chlorhexidine, and at the reduction or prevention of caries. Until now convincing evidence exists only for green tea as a functional food for oral health, partly owing to its high content of catechins, especially epigallocatechin-gallate. A number of other foods showed potential anticaries activity. Some other foods able to act against MGS growth and/or their virulence factors in in vitro tests are: apple, red grape seeds, red wine (proanthocyanidins), nutmeg (macelignan), ajowan caraway (nafthalen-derivative), coffee (trigonelline, nicotinic and chlorogenic acids, melanoidins), barley coffee (melanoidins), chicory and mushroom (quinic acid). In vivo anticaries activity has been shown by cranberry (procyanidins), glycyrrhiza root (glycyrrhizol-A), myrtus ethanolic extract, garlic aqueous extract, cocoa extracts (procyanidins), and propolis (apigenin, tt-farnesol). Copyright © 2011 Elsevier Ltd. All rights reserved.

Do European Standard Disinfectant tests truly simulate in-use microbial and organic soiling conditions on food preparation surfaces?

Science.gov (United States)

Meyer, B; Morin, V N; Rödger, H-J; Holah, J; Bird, C

2010-04-01

The results from European standard disinfectant tests are used as one basis to approve the use of disinfectants in Europe. The design of these laboratory-based tests should thus simulate as closely as possible the practical conditions and challenges that the disinfectants would encounter in use. No evidence is available that the organic and microbial loading in these tests simulates actual levels in the food service sector. Total organic carbon (TOC) and total viable count (TVC) were determined on 17 visibly clean and 45 visibly dirty surfaces in two restaurants and the food preparation surfaces of a large retail store. These values were compared to reference values recovered from surfaces soiled with the organic and microbial loading, following the standard conditions of the European Surface Test for bactericidal efficacy, EN 13697. The TOC reference values for clean and dirty conditions were higher than the data from practice, but cannot be regarded as statistical outliers. This was considered as a conservative assessment; however, as additional nine TOC samples from visibly dirty surfaces were discarded from the analysis, as their loading made them impossible to process. Similarly, the recovery of test organisms from surfaces contaminated according to EN 13697 was higher than the TVC from visibly dirty surfaces in practice; though they could not be regarded as statistical outliers of the whole data field. No correlation was found between TVC and TOC in the sampled data, which re-emphasizes the potential presence of micro-organisms on visibly clean surfaces and thus the need for the same degree of disinfection as visibly dirty surfaces. The organic soil and the microbial burden used in EN disinfectant standards represent a realistic worst-case scenario for disinfectants used in the food service and food-processing areas.

Protective effect of aqueous extract from Spirulina platensis against cell death induced by free radicals.

Science.gov (United States)

Chu, Wan-Loy; Lim, Yen-Wei; Radhakrishnan, Ammu Kutty; Lim, Phaik-Eem

2010-09-21

Spirulina is a commercial alga well known to contain various antioxidants, especially phycocyanin. Apart from being sold as a nutraceutical, Spirulina is incorporated as a functional ingredient in food products and beverages. Most of the previous reports on antioxidant activity of Spirulina were based on chemical rather than cell-based assays. The primary objective of this study was to assess the antioxidant activity of aqueous extract from Spirulina based on its protective effect against cell death induced by free radicals. The antioxidant activity of the cold water extract from food-grade Spirulina platensis was assessed using both chemical and cell-based assays. In the cell-based assay, mouse fibroblast cells (3T3) cells were incubated for 1 h in medium containing aqueous extract of Spirulina or vitamin C (positive control) at 25, 125 and 250 μg/mL before the addition of 50 μM 1,1-diphenyl-2-picrylhydrazyl (DPPH) or 3-ethylbenzothiazoline-6-sulfonic acid (ABTS). The cells were incubated for another 24 h before being assessed for cell death due to apoptosis using the Cell Death Detection ELISA Kit. Spectrophotometric assays based on DPPH and ABTS were also used to assess the antioxidant activity of the extract compared to vitamin C and vitamin E (positive controls). Spirulina extract did not cause cytotoxic effect on 3T3 cells within the range of concentrations tested (0 - 250 μg/mL). The extract reduced significantly (p assay, the radical scavenging activity of the extract was higher than phycocyanin and was at least 50% of vitamin C and vitamin E. Based on the ABTS assay, the antioxidant activity of the extract at 50 μmug/mL was as good as vitamin C and vitamin E. The results showed that aqueous extract of Spirulina has a protective effect against apoptotic cell death due to free radicals. The potential application of incorporating Spirulina into food products and beverages to enhance their antioxidant capacity is worth exploring.

Aqueous-Containing Precursor Solutions for Efficient Perovskite Solar Cells.

Science.gov (United States)

Liu, Dianyi; Traverse, Christopher J; Chen, Pei; Elinski, Mark; Yang, Chenchen; Wang, Lili; Young, Margaret; Lunt, Richard R

2018-01-01

Perovskite semiconductors have emerged as competitive candidates for photovoltaic applications due to their exceptional optoelectronic properties. However, the impact of moisture instability on perovskite films is still a key challenge for perovskite devices. While substantial effort is focused on preventing moisture interaction during the fabrication process, it is demonstrated that low moisture sensitivity, enhanced crystallization, and high performance can actually be achieved by exposure to high water content (up to 25 vol%) during fabrication with an aqueous-containing perovskite precursor. The perovskite solar cells fabricated by this aqueous method show good reproducibility of high efficiency with average power conversion efficiency (PCE) of 18.7% and champion PCE of 20.1% under solar simulation. This study shows that water-perovskite interactions do not necessarily negatively impact the perovskite film preparation process even at the highest efficiencies and that exposure to high contents of water can actually enable humidity tolerance during fabrication in air.

Pitting morphologies of zirconium base alloys in aqueous and non aqueous chloride media

International Nuclear Information System (INIS)

Palit, G.C.; Gadiyar, H.S.

1988-01-01

Pitting morphology of zirconium and Zr-Cr alloys in aqueous chloride and nonaqueous methanol + 0.4 per cent HCl solution was investigated and observed to follow different modes in these two environments. While in aqueous chloride solution pitting was transgranular and randomly oriented, in methanol-chloride solution pits were observed to initiate and propagate along the grain boundaries. In aqueous chloride solution very irregular and sponge like zirconium metal was formed inside the pit while in methanol-chloride solution the pits were crystallographic in nature. Optical microscopy has revealed that pits preferentially initiate and propagate along scratch line in aqueous chloride solution, but such was not the case in nonaqueous methanol-chloride solution. The nature and the mechanism operating in the catastropic failure of these materials are investigated. (author). 10 refs., 11 figs

Effect of Aqueous Extract of the Seaweed Gracilaria domingensis on the Physicochemical, Microbiological, and Textural Features of Fermented Milks.

Science.gov (United States)

Tavares Estevam, Adriana Carneiro; Alonso Buriti, Flávia Carolina; de Oliveira, Tiago Almeida; Pereira, Elainy Virginia Dos Santos; Florentino, Eliane Rolim; Porto, Ana Lúcia Figueiredo

2016-04-01

The effects of the Gracilaria domingensis seaweed aqueous extract in comparison with gelatin on the physicochemical, microbial, and textural characteristics of fermented milks processed with the mixed culture SAB 440 A, composed of Streptococcus thermophilus, Lactobacillus acidophilus, and Bifidobacterium animalis ssp. lactis, were investigated. The addition of G. domingensis aqueous extract did not affect pH, titratable acidity, and microbial viability of fermented milks when compared with the control (with no texture modifier) and the products with added gelatin. Fermented milk with added the seaweed aqueous extract showed firmness, consistency, cohesiveness, and viscosity index at least 10% higher than those observed for the control product (P texture comparable to that observed for products containing only gelatin. At 5 h of fermentation, firmness and consistency increased significantly (P texture modifier in fermented milks and related dairy products. © 2016 Institute of Food Technologists®

FRET Sensor for Erythrosine Dye Based on Organic Nanoparticles: Application to Analysis of Food Stuff.

Science.gov (United States)

Mahajan, Prasad G; Bhopate, Dhanaji P; Kolekar, Govind B; Patil, Shivajirao R

2016-07-01

An aqueous suspension of fluorescent nanoparticles (PHNNPs) of naphthol based fluorescent organic compound 1-[(Z)-(2-phenylhydrazinylidene) methyl] naphthalene -2-ol (PHN) were prepared using reprecipitation method shows bathochromically shifted aggregation induced enhanced emission (AIEE) in the spectral region where erythrosine (ETS) food dye absorbs strongly. The average size of 72.6 nm of aqueous suspension of PHNNPs obtained by Dynamic light scattering results shows a narrow particle size distribution. The negative zeta potential of nano probe (-22.6 mV) responsible to adsorb oppositely charged analyte on its surface and further permit to bind nano probe and analyte within the close distance proximity required for efficient fluorescence resonance energy transfer (FRET) to take place from donor (PHNNPs) to acceptor (ETS). Systematic FRET experiments performed by measuring fluorescence quenching of PHNNPs with successive addition of ETS solution exploited the use of the PHNNPs as a novel nano probe for the detection of ETS in aqueous solution with extremely lower limit of detection equal to 3.6 nM (3.1 ng/mL). The estimation of photo kinetic and thermodynamic parameters such as quenching rate constant, enthalpy change (∆H), Gibbs free energy change (∆G) and entropy change (∆S) was obtained by the quenching results obtained at different constant temperatures which were found to fit the well-known Stern-Volmer relation. The mechanism of binding and fluorescence quenching of PHNNPs by ETS food dye is proposed on the basis of results obtained in photophysical studies, thermodynamic parameter, energy transfer efficiency, critical energy transfer distance (R0) and distance of approach between donor-acceptor molecules (r). The proposed FRET method based on fluorescence quenching of PHNNPs was successfully applied to develop an analytical method for estimation of ETS from food stuffs without interference of other complex ingredients. Graphical Abstract A

Elimination of N-nitrosamines and their precusors in some foods by /sup 60/Co. gamma. -ray irradiation

Energy Technology Data Exchange (ETDEWEB)

Jifan, Hu; Yingqiang, He; Puju, Song

1987-10-01

N-Dimethylnitrosamine (NDMA) in some marine foods, such as dried shrimp, fish meal and salted fish, was drastically reduced by ..gamma..-ray irradiation with /sup 60/Co. The shrimp contained 54.6 ppb NDMA, but only 29.3, 8.8, 11.4, and 1.9 ppb were detected after irradiation with doses of 5, 10, 15 and 20 kGy. The corresponding reduction was 46.3%, 83.9%, 79.1%, and 96.6%, respectively. Similar results were also obtained in other two kinds of foods. NDMA could be completely eliminated by the irradiation in aqueous solution, which was much more markable than that in food samples. The major irradiated products of NDMA were dimethylamine and nitrous acid, but no re-formation of nitrosamines took place. /sup 60/Co irradiation also significantly decreased the content of nitrite in salted fish and in aqueous solution. No effect on nitrate could be observed.

Corrosion behavior of 316 L stainless steel simulated by studying the influence of the species produced in the radiolysis in tritiated aqueous solutions

International Nuclear Information System (INIS)

Bellanger, G.

1991-10-01

The corrosion of 316 L stainless steel in tritiated aqueous solutions was simulated by studying the influence of species produced or present in the radiolysis in these solutions. The species studied were nitrates, fluorides, nitrites, hydrogen peroxide and components of the steel, as well as the pH. The method used was voltammetry. The corroded or passivated surfaces were examined by scanning electron microscopy and the corrosion rates were determined by measuring the electrochemical impedance. The depletion of the component elements of the stainless steel at the surface was observed by X-ray fluorescence. From our results we propose methods to limit the corrosion in an industrial tritiated water installation by controlling the pH, the oxidation-reduction potential of the water and the voltage of the installation [fr

Bioremediation of zirconium from aqueous solution by coriolus versicolor: process optimization

International Nuclear Information System (INIS)

Amin, M.; Bhatti, H. N.; Sadaf, S.

2013-01-01

In the present study the potential of live mycelia of Coriolus versicolor was explored for the removal of zirconium from simulated aqueous solution. Optimum experimental parameters for the bioremediation of zirconium using C. versicolor biomass have been investigated by studying the effect of mycelia dose, concentration of zirconium, contact time and temperature. The isothermal studies indicated that the ongoing bioremediation process was exothermic in nature and obeyed Langmuir adsorption isotherm model. The Gibbs free energy (ΔG), entropy (ΔS) and enthalpy (ΔH) of bioremediation were also determined. The result showed that bioremediation of zirconium by live C. versicolor was feasible and spontaneous at room temperature. The equilibrium data verified the involvement of chemisorption during the bioremediation. The kinetic data indicated the operation of pseudo-second order process during the biosorption of zirconium from aqueous solution. Maximum bioremediation capacity (110.75 mg/g) of C. versicolor was observed under optimum operational conditions: pH 4.5, biomass dose 0.05 mg/100 mL, contact time 6 h and temperature 30 degree C. The results showed that C. versicolor could be used for bioremediation of heavy metal ions from aqueous systems. (author)

Development and validation of an improved method for the determination of chloropropanols in paperboard food packaging by GC-MS.

Science.gov (United States)

Mezouari, S; Liu, W Yun; Pace, G; Hartman, T G

2015-01-01

The objective of this study was to develop an improved analytical method for the determination of 3-chloro-1,2-propanediol (3-MCPD) and 1,3-dichloropropanol (1,3-DCP) in paper-type food packaging. The established method includes aqueous extraction, matrix spiking of a deuterated surrogate internal standard (3-MCPD-d₅), clean-up using Extrelut solid-phase extraction, derivatisation using a silylation reagent, and GC-MS analysis of the chloropropanols as their corresponding trimethyl silyl ethers. The new method is applicable to food-grade packaging samples using European Commission standard aqueous extraction and aqueous food stimulant migration tests. In this improved method, the derivatisation procedure was optimised; the cost and time of the analysis were reduced by using 10 times less sample, solvents and reagents than in previously described methods. Overall the validation data demonstrate that the method is precise and reliable. The limit of detection (LOD) of the aqueous extract was 0.010 mg kg(-1) (w/w) for both 3-MCPD and 1,3-DCP. Analytical precision had a relative standard deviation (RSD) of 3.36% for 3-MCPD and an RSD of 7.65% for 1,3-DCP. The new method was satisfactorily applied to the analysis of over 100 commercial paperboard packaging samples. The data are being used to guide the product development of a next generation of wet-strength resins with reduced chloropropanol content, and also for risk assessments to calculate the virtual safe dose (VSD).

The effects of television advertisements for junk food versus nutritious food on children's food attitudes and preferences.

Science.gov (United States)

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

2007-10-01

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.

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.

2000-01-01

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

Migration and sorption phenomena in packaged foods.

Science.gov (United States)

Gnanasekharan, V; Floros, J D

1997-10-01

Rapidly developing analytical capabilities and continuously evolving stringent regulations have made food/package interactions a subject of intense research. This article focuses on: (1) the migration of package components such as oligomers and monomers, processing aids, additives, and residual reactants in to packaged foods, and (2) sorption of food components such as flavors, lipids, and moisture into packages. Principles of diffusion and thermodynamics are utilized to describe the mathematics of migration and sorption. Mathematical models are developed from first principles, and their applicability is illustrated using numerical simulations and published data. Simulations indicate that available models are system (polymer-penetrant) specific. Furthermore, some models best describe the early stages of migration/sorption, whereas others should be used for the late stages of these phenomena. Migration- and/or sorption-related problems with respect to glass, metal, paper-based and polymeric packaging materials are discussed, and their importance is illustrated using published examples. The effects of migrating and absorbed components on food safety, quality, and the environment are presented for various foods and packaging materials. The impact of currently popular packaging techniques such as microwavable, ovenable, and retortable packaging on migration and sorption are discussed with examples. Analytical techniques for investigating migration and sorption phenomena in food packaging are critically reviewed, with special emphasis on the use and characteristics of food-simulating liquids (FSLs). Finally, domestic and international regulations concerning migration in packaged foods, and their impact on food packaging is briefly presented.

In vivo genotoxicity evaluation of an artichoke (Cynara scolymus L.) aqueous extract.

Science.gov (United States)

Zan, Meriele A; Ferraz, Alexandre B F; Richter, Marc F; Picada, Jaqueline N; de Andrade, Heloisa H R; Lehmann, Mauricio; Dihl, Rafael R; Nunes, Emilene; Semedo, Juliane; Da Silva, Juliana

2013-02-01

The Cynara scolymus (artichoke) is widely consumed as tea or food and shows important therapeutic properties. However, few studies have assessed the possible toxic effects of artichoke extracts. This study evaluates genotoxic and mutagenic activities of artichoke leaf aqueous extract in mice using the comet assay and the micronucleus test. Leaf extracts were given by gavage (500 mg/kg, 1000 mg/kg, and 2000 mg/kg) for 3 consecutive days. Extract composition was investigated using phytochemical screening and high-performance liquid chromatography (HPLC). In addition, antioxidant capacity was analyzed through the diphenyl-picrylhydrazyl (DPPH) and xanthine oxidase assay. Phytochemical screening detected the presence of phenolic compounds, flavonoids, and saponins. HPLC analyses indicated the presence of chlorogenic acid, caffeic acid, isoquercetrin, and rutin. Extracts showed a dose-dependent free radical scavenging effect of DPPH and an inhibitory effect of xanthine oxidase. The genotoxic results showed that leaf extracts did not increase micronuclei in peripheral blood cells. Compared to the control group, a significant increase in comet assay values was observed only in bone marrow of group treated with 2000 mg/kg, the highest dose tested, indicating that artichoke tea should be consumed with moderation. This is the first report of in vivo mutagenic and genotoxic evaluation with C. scolymus. The present study revealed leaf aqueous extract from artichoke shows lack of mutagenicity in vivo, and low genotoxicity and antioxidant activity; indicating that artichoke tea should be consumed with moderation. © 2013 Institute of Food Technologists®

Thermal stability of α-amylase in aqueous cosolvent systems

Indian Academy of Sciences (India)

Prakash

Department of Protein Chemistry and Technology, Central Food Technological Research ... Keywords. α-Amylase; cosolvents; preferential interaction parameters; thermal stability ...... simulations of trehalose as a 'dynamic reducer' for solvent.

Calculation of thermal neutron self-shielding correction factors for aqueous bulk sample prompt gamma neutron activation analysis using the MCNP code

International Nuclear Information System (INIS)

Nasrabadi, M.N.; Jalali, M.; Mohammadi, A.

2007-01-01

In this work thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing materials is studied using bulk sample prompt gamma neutron activation analysis (BSPGNAA) with the MCNP code. The code was used to perform three dimensional simulations of a neutron source, neutron detector and sample of various material compositions. The MCNP model was validated against experimental measurements of the neutron flux performed using a BF 3 detector. Simulations were performed to predict thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing solutes. In practice, the MCNP calculations are combined with experimental measurements of the relative thermal neutron flux over the sample's surface, with respect to a reference water sample, to derive the thermal neutron self-shielding within the sample. The proposed methodology can be used for the determination of the elemental concentration of unknown aqueous samples by BSPGNAA where knowledge of the average thermal neutron flux within the sample volume is required

Factors affecting biotic mercury concentrations and biomagnification through lake food webs in the Canadian high Arctic

Energy Technology Data Exchange (ETDEWEB)

Lescord, Gretchen L., E-mail: glescord@gmail.com [University of New Brunswick/Canadian Rivers Institute, 100 Tucker Park Rd, Saint John, NB E2L 4A6 (Canada); Kidd, Karen A. [University of New Brunswick/Canadian Rivers Institute, 100 Tucker Park Rd, Saint John, NB E2L 4A6 (Canada); Kirk, Jane L. [Environment Canada, Aquatic Contaminants Research Division, 867 Lakeshore Rd, Burlington, ON L7S 1A1 (Canada); O' Driscoll, Nelson J. [Acadia University, 15 University Ave, Wolfville, NS B4P 2R6 (Canada); Wang, Xiaowa; Muir, Derek C.G. [Environment Canada, Aquatic Contaminants Research Division, 867 Lakeshore Rd, Burlington, ON L7S 1A1 (Canada)

2015-03-15

In temperate regions of Canada, mercury (Hg) concentrations in biota and the magnitude of Hg biomagnification through food webs vary between neighboring lakes and are related to water chemistry variables and physical lake features. However, few studies have examined factors affecting the variable Hg concentrations in landlocked Arctic char (Salvelinus alpinus) or the biomagnification of Hg through their food webs. We estimated the food web structure of six high Arctic lakes near Resolute Bay, Nunavut, Canada, using stable carbon (δ{sup 13}C) and nitrogen (δ{sup 15}N) isotopes and measured Hg (total Hg (THg) in char, the only fish species, and methylmercury (MeHg) in chironomids and zooplankton) concentrations in biota collected in 2010 and 2011. Across lakes, δ{sup 13}C showed that benthic carbon (chironomids) was the dominant food source for char. Regression models of log Hg versus δ{sup 15}N (of char and benthic invertebrates) showed positive and significant slopes, indicting Hg biomagnification in all lakes, and higher slopes in some lakes than others. However, no principal components (PC) generated using all water chemistry data and physical characteristics of the lakes predicted the different slopes. The PC dominated by aqueous ions was a negative predictor of MeHg concentrations in chironomids, suggesting that water chemistry affects Hg bioavailability and MeHg concentrations in these lower-trophic-level organisms. Furthermore, regression intercepts were predicted by the PCs dominated by catchment area, aqueous ions, and MeHg. Weaker relationships were also found between THg in small char or MeHg in pelagic invertebrates and the PCs dominated by catchment area, and aqueous nitrate and MeHg. Results from these high Arctic lakes suggest that Hg biomagnification differs between systems and that their physical and chemical characteristics affect Hg concentrations in lower-trophic-level biota. - Highlights: • Mercury (Hg) in Arctic char and invertebrates

Enhancing saltiness in emulsion based foods

Directory of Open Access Journals (Sweden)

Lad Mita

2012-07-01

Full Text Available Abstract Background The concept of enhancing saltiness perception in emulsions and a liquid food formulated with the emulsions (ambient vegetable soup through increasing salt concentration in the continuous phase while retaining the fat content of the (aqueous continuous product was evaluated. This was accomplished by increasing the droplet phase volume using duplex emulsion technology. Viscosity and droplet size distribution was measured. Saltiness evaluation was based on simple paired comparison testing (2-Alternate Forced Choice tests, BS ISO 5495:2007. Results Single and duplex emulsions and emulsion-based products had comparable mean oil droplet diameters (25 to 30 μm; however, viscosity of the duplex emulsion systems was considerably higher. Sensory assessment of saltiness of emulsion pairs (2AFC indicated duplex technology enhanced saltiness perception compared to a single emulsion product at the same salt content (6.3 g/100 g in both simple emulsions and the formulated food product (P = 0.0596 and 0.0004 respectively although assessors noted the increased viscosity of the duplex systems. The formulated food product also contained pea starch particles which may have aided product mixing with saliva and thus accelerated tastant transport to the taste buds. Lowering salt content in the duplex systems (to levels of aqueous phase salt concentration similar to the level in the single systems resulted in duplex systems being perceived as less salty than the single system. It appears that the higher viscosity of the duplex systems could not be “overruled” by enhanced mixing through increased droplet phase volume at lowered salt content. Conclusions The results showed that salt reduction may be possible despite the added technology of duplex systems increasing the overall measured viscosity of the product. The changes in viscosity behavior impact mouthfeel, which may be exploitable in addition to the contribution towards salt

Progress in aqueous rechargeable batteries

Directory of Open Access Journals (Sweden)

Jilei Liu

2018-01-01

Full Text Available Over the past decades, a series of aqueous rechargeable batteries (ARBs were explored, investigated and demonstrated. Among them, aqueous rechargeable alkali-metal ion (Li+, Na+, K+ batteries, aqueous rechargeable-metal ion (Zn2+, Mg2+, Ca2+, Al3+ batteries and aqueous rechargeable hybrid batteries are standing out due to peculiar properties. In this review, we focus on the fundamental basics of these batteries, and discuss the scientific and/or technological achievements and challenges. By critically reviewing state-of-the-art technologies and the most promising results so far, we aim to analyze the benefits of ARBs and the critical issues to be addressed, and to promote better development of ARBs.

Contributions of nonextracting Pu reductants (ferrous sulphamate and hydroxylamine nitrate) and holding reductant (hydrazine nitrate) to the aqueous density in U-Pu partitioning system

International Nuclear Information System (INIS)

Shekhar Kumar; Rajnish Kumar; Koganti, S.B.

2005-08-01

As nonextracting Pu reductants and holding reductants contribute to the density of aqueous phase sub-system considerably, to account their contributions in aqueous phase in solvent extraction simulation code is essential. In this regard, in-house generated precise density data on aqueous ferrous sulphamate solutions as well as aqueous density data, reported in the literature, for HAN, hydrazine nitrate and HAN-HNO 3 systems were analyzed and density equation earlier proposed by authors was extended to it. It was observed that the equation earlier proposed by the authors were simple and were easy to extend for multicomponent system. The contributions of ferrous sulphamate, HAN and hydrazine nitrate to the aqueous density were quantified. It was also observed that the classical value of contribution for nonextractible solute to the aqueous density was quite different from the results reported in this work. (author)

Ion Movement in Polypyrrole/Dodecylbenzenesulphonate Films in aqueous and non-aqueous electrolytes

DEFF Research Database (Denmark)

Vidanapathirana, K.; Careem, M.A.; Skaarup, Steen

2002-01-01

The electrochemical characteristics during the redox process of polypyrrole (PPy) films, prepared using dodecylbenzenesulphonate (DBS-) dopant species, have been investigated using a combination of cyclic voltammetry and Electrochemical Quartz Crystal Microbalance (EQCM) measurements. Investigati......The electrochemical characteristics during the redox process of polypyrrole (PPy) films, prepared using dodecylbenzenesulphonate (DBS-) dopant species, have been investigated using a combination of cyclic voltammetry and Electrochemical Quartz Crystal Microbalance (EQCM) measurements....... Investigations were carried out using aqueous and non-aqueous electrolytes to study the effect of solvent on the ion movement during redox processes. When PPy films are cycled in aqueous electrolytes transport of both anion and cation occurs during oxidation and reduction. However, when cycled in the nonaqueous...

Comparative evaluation of aqueous humor viscosity.

Science.gov (United States)

Davis, Kyshia; Carter, Renee; Tully, Thomas; Negulescu, Ioan; Storey, Eric

2015-01-01

To evaluate aqueous humor viscosity in the raptor, dog, cat, and horse, with a primary focus on the barred owl (Strix varia). Twenty-six raptors, ten dogs, three cats, and one horse. Animals were euthanized for reasons unrelated to this study. Immediately, after horizontal and vertical corneal dimensions were measured, and anterior chamber paracentesis was performed to quantify anterior chamber volume and obtain aqueous humor samples for viscosity analysis. Dynamic aqueous humor viscosity was measured using a dynamic shear rheometer (AR 1000 TA Instruments, New Castle, DE, USA) at 20 °C. Statistical analysis included descriptive statistics, unpaired t-tests, and Tukey's test to evaluate the mean ± standard deviation for corneal diameter, anterior chamber volume, and aqueous humor viscosity amongst groups and calculation of Spearman's coefficient for correlation analyses. The mean aqueous humor viscosity in the barred owl was 14.1 centipoise (cP) ± 9, cat 4.4 cP ± 0.2, and dog 2.9 cP ± 1.3. The aqueous humor viscosity for the horse was 1 cP. Of the animals evaluated in this study, the raptor aqueous humor was the most viscous. The aqueous humor of the barred owl is significantly more viscous than the dog (P humor viscosity of the raptor, dog, cat, and horse can be successfully determined using a dynamic shear rheometer. © 2014 American College of Veterinary Ophthalmologists.

Model studies of migration from paper and board into fruit and vegetables and into Tenax as a food simulant.

Science.gov (United States)

Bradley, E L; Castle, L; Speck, D R

2014-01-01

Four samples of paper and board (P/B) of a type used for packaging dry foods were subjected to migration tests using mushrooms, apples, potatoes and bananas, and using the polymeric powder Tenax as a food simulant. The P/B samples contained only low levels of diisopropylnaphthalene (DiPN) and diisobutyl phthalate (DiBP) and so the experiments were conducted after impregnating the P/B with added model substances. These were o-xylene, acetophenone, dodecane, benzophenone, DiPN and DiBP. Migration levels depended strongly on the nature of the substance and on the nature of the food and much less on the characteristics of the P/B, except insofar as they affected the contact area - flexible papers giving more extensive contact with the food than thick rigid board. Migration into Tenax was at least a factor of 10 higher than migration into the fresh fruit and vegetables. The food samples were placed in contact with the P/B and then overwrapped loosely with aluminium foil and so this correction factor will tend to be conservative compared with a more open storage of the packed foods. Washing, peeling or cooking the fruits and vegetables after contact with the P/B had a surprisingly small effect on contaminant levels in general, and no one processing step was effective in giving a significant reduction of all the types of chemicals studied. This was because either they had penetrated into the food (so resisting peeling), or were not freely water-soluble (so resisting washing) or were not particularly volatile (so resisting loss by evaporation during cooking).

Effect of aqueous and alcoholic extract of Sesbania sesban (Linn Merr. root on glycemic control in streptozotocin-induced diabetic mice

Directory of Open Access Journals (Sweden)

Manjusha Choudhary

2014-01-01

Full Text Available Aim: The present study was carried out to investigate the hypoglycemic effects of the aqueous and ethanolic extracts of Sesbania sesban (SS (Merr. roots, which is widely used in inflammation, fever, ulcers, leucoderma and diabetes in various parts of India. Materials and Methods: SS extracts were administered orally at doses (500 and 1000 mg/kg to normal and streptozotocin (STZ induced Type-2 diabetic mice. The fasting blood glucose (FBG, biochemical parameters in serum viz., blood glucose, serum insulin, cholesterol, triglyceride (TG, high-density lipoprotein (HDL cholesterol, urea, creatinine and total protein, change in body weight, internal organs weight, food intake, water intake and glycogen level in liver were performed for the evaluation of hypoglycemic effects. Results: Both doses of aqueous and ethanolic SS extracts caused a marked decrease of FBG in STZ induced Type-2 diabetic mice. Both extracts decreased the cholesterol, TG, urea, creatinine level and increased the insulin, HDL cholesterol and total protein level. Decrease in body weight and glycogen level induced by STZ was restored. Increase in water and food intake induced by STZ was decreased. Conclusions: The results suggest that aqueous and ethanolic extracts of SS may have hypoglycemic potential for the Type-2 diabetes and support the traditional use of the roots of plant as a hypoglycemic agent.

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

1999-01-01

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

Zinc Bioavailability from Phytate-Rich Foods and Zinc Supplements. Modeling the Effects of Food Components with Oxygen, Nitrogen, and Sulfur Donor Ligands.

Science.gov (United States)

Tang, Ning; Skibsted, Leif H

2017-10-04

Aqueous solubility of zinc phytate (K sp = (2.6 ± 0.2) × 10 -47 mol 7 /L 7 ), essential for zinc bioavailability from plant foods, was found to decrease with increasing temperature corresponding to ΔH dis of -301 ± 22 kJ/mol and ΔS dis of -1901 ± 72 J/(mol K). Binding of zinc to phytate was found to be exothermic for the stronger binding site and endothermic for the weaker binding site. The solubility of the slightly soluble zinc citrate and insoluble zinc phytate was found to be considerably enhanced by the food components with oxygen donor, nitrogen donor, and sulfur donor ligands. The driving force for the enhanced solubility is mainly due to the complex formation between zinc and the investigated food components rather than ligand exchange and ternary complex formation as revealed by quantum mechanical calculations and isothermal titration calorimetry. Histidine and citrate are promising ligands for improving zinc absorption from phytate-rich foods.

Food pricing strategies, population diets, and non-communicable disease: a systematic review of simulation studies.

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Helen Eyles

Full Text Available BACKGROUND: Food pricing strategies have been proposed to encourage healthy eating habits, which may in turn help stem global increases in non-communicable diseases. This systematic review of simulation studies investigates the estimated association between food pricing strategies and changes in food purchases or intakes (consumption (objective 1; Health and disease outcomes (objective 2, and whether there are any differences in these outcomes by socio-economic group (objective 3. METHODS AND FINDINGS: Electronic databases, Internet search engines, and bibliographies of included studies were searched for articles published in English between 1 January 1990 and 24 October 2011 for countries in the Organisation for Economic Co-operation and Development. Where ≥ 3 studies examined the same pricing strategy and consumption (purchases or intake or health outcome, results were pooled, and a mean own-price elasticity (own-PE estimated (the own-PE represents the change in demand with a 1% change in price of that good. Objective 1: pooled estimates were possible for the following: (1 taxes on carbonated soft drinks: own-PE (n  =  4 studies, -0.93 (range, -0.06, -2.43, and a modelled -0.02% (-0.01%, -0.04% reduction in energy (calorie intake for each 1% price increase (n  =  3 studies; (2 taxes on saturated fat: -0.02% (-0.01%, -0.04% reduction in energy intake from saturated fat per 1% price increase (n  =  5 studies; and (3 subsidies on fruits and vegetables: own-PE (n = 3 studies, -0.35 (-0.21, -0.77. Objectives 2 and 3: variability of food pricing strategies and outcomes prevented pooled analyses, although higher quality studies suggested unintended compensatory purchasing that could result in overall effects being counter to health. Eleven of 14 studies evaluating lower socio-economic groups estimated that food pricing strategies would be associated with pro-health outcomes. Food pricing strategies also have the potential to reduce

Alumino-silicate speciation in aqueous fluids at deep crustal conditions

Science.gov (United States)

Mookherjee, M.; Keppler, H.; Manning, C. E.

2014-12-01

Alumina and silica are major oxides in most crustal rocks. While SiO2 is quite soluble in aqueous fluids at metamorphic conditions, behavior of Al2O3 in crustal metamorphic fluids has been poorly understood. It is known that alumina is dramatically less soluble in aqueous fluids and hence it is difficult to explain the common occurrence of quartz with aluminous minerals in metamorphic veins. In order to understand this complex behavior of alumina, we investigated aluminum speciation in aqueous fluids in equilibrium with corundum using in situ Raman spectroscopy in hydrothermal diamond anvil cells to 20 kbar and 1000 oC. In order to better understand the spectral features of the aqueous fluids, we used first principles simulations based on density functional theory to calculate and predict the energetics and vibrational spectra for various aluminum species that are likely to be present in aqueous solutions. The Raman spectra of pure water in equilibrium with Al2O3 are devoid of any characteristic spectral features. In contrast, aqueous fluids with KOH solution in equilibrium with Al2O3 show a sharp band at ~620 cm-1 which could be attributed to the [Al(OH)4]1- species. The band grows in intensity with temperature along an isochore. In the limited pressure, temperature and density explored in the present study, we do not find any evidence for the polymerization of the [Al(OH)4]1- species to dimers [(OH)2-Al-O2-Al(OH)2]2- or [(OH)3-Al-O-Al(OH)3]2-. This is likely due to the relatively low concentration of Al in the solutions and does not rule out significant polymerization at higher pressures and temperatures. We are also investigating the effect of SiO2 on the solubility of Al2O3 and the relative energetics of formation of pure alumina dimer [(OH)3-Al-O-Al(OH)3]2- vs. the aluminosilicate dimers, [(OH)3-Al-O-Si(OH)3]2- at deep crustal conditions. Acknowledgement- MM is supported by the US National Science Foundation grant (EAR-1250477).

Adsorption of aromatic hydrocarbons and ozone at environmental aqueous surfaces.

Science.gov (United States)

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

2008-06-05

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

Adaptive Resolution Simulation of MARTINI Solvents

NARCIS (Netherlands)

Zavadlav, Julija; Melo, Manuel N.; Cunha, Ana V.; de Vries, Alex H.; Marrink, Siewert J.; Praprotnik, Matej

We present adaptive resolution dynamics simulations of aqueous and apolar solvents coarse-grained molecular models that are compatible with the MARTINI force field. As representatives of both classes solvents we have chosen liquid water and butane, respectively, at ambient temperature. The solvent

High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

Science.gov (United States)

Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

2016-07-21

In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

Hydrogen bonding analysis of hydroxyl groups in glucose aqueous solutions by a molecular dynamics simulation study

International Nuclear Information System (INIS)

Chen, Cong; Li, Wei Zhong; Song, Yong Chen; Weng, Lin Dong; Zhang, Ning

2012-01-01

Molecular dynamics simulations have been performed to investigate hydrogen bonding characteristics of hydroxyl groups in glucose aqueous solutions with different concentrations. The hydrogen bonding abilities and strength of different O and H atom types have been calculated and compared. The acceptor/donor efficiencies have been predicted and it has been found that: (1) O2-HO2 and O3-HO3 are more efficient intramolecular hydrogen bonding acceptors than donors; (2) O1-HO1, O4-HO4 and O6-HO6 are more efficient intramolecular hydrogen bonding donors than acceptors; (5) O1-HO1 and O6-HO6 are more efficient intermolecular hydrogen bonding acceptors than donors while hydroxyl groups O2-HO2 and O4-HO4 are more efficient intermolecular hydrogen bonding donors than acceptors. The hydrogen bonding abilities of hydroxyl groups revealed that: (1) the hydrogen bonding ability of OH2-H w is larger than that of hydroxyl groups in glucose; (2) among the hydroxyl groups in glucose, the hydrogen bonding ability of O6-HO6 is the largest and the hydrogen bonding ability of O4-HO4 is the smallest; (3) the intermolecular hydrogen bonding ability of O6-HO6 is the largest; (4) the order for intramolecular hydrogen bonding abilities (from large to small) is O2-HO2, O1-HO1, O3-HO3, O6-HO6 and O4-HO4

Suitability of Different Food Grade Materials for the Encapsulation of Some Functional Foods Well Reported for Their Advantages and Susceptibility.

Science.gov (United States)

Wani, Touseef Ahmed; Shah, Adil Gani; Wani, Sajad Mohd; Wani, Idrees Ahmed; Masoodi, Farooq Ahmad; Nissar, Nazia; Shagoo, Mudasir Ahmad

2016-11-17

Functional foods find a very important place in the modern era, where different types of cancer, diabetes, cardiovascular diseases, etc. are on a high. Irrespective of the abundance of bioactive components in different fruits and vegetables, their low solubility in aqueous solution, vulnerability to destruction in different environmental and gastrointestinal conditions and a low intestinal absorption becomes a concern. Because it is quite difficult to commercialize non food materials for the food encapsulation purposes due to their safety concerns in the human body, scientists in the recent times have come up with the idea of encapsulating the different bioactive components in different food grade materials that are able to safeguard these bioactive components against the different environmental and gastrointestinal conditions and ensure their safe and targeted delivery at their absorption sites. Different food grade encapsulation materials including various oligosaccharides, polysaccharides (starch, cyclodextrins, alginates, chitosan, gum arabic, and carboxymethyl cellulose) and proteins and their suitability for encapsulating various bioactive components like flavonoids (catechins, rutin, curcumin, hesperetin, and vanillin), nonflavonoids (resveratrol), carotenoids (β-carotene, lycopene, and lutein), and fatty acids (fish oil, flaxseed oil, and olive oil) of high medical and nutritional value are reviewed here.

Catalytic Hydrothermal Liquefaction of Food Waste Using CeZrOx

Directory of Open Access Journals (Sweden)

Alex R. Maag

2018-03-01

Full Text Available Approximately 15 million dry tons of food waste is produced annually in the United States (USA, and 92% of this waste is disposed of in landfills where it decomposes to produce greenhouse gases and water pollution. Hydrothermal liquefaction (HTL is an attractive technology capable of converting a broad range of organic compounds, especially those with substantial water content, into energy products. The HTL process produces a bio-oil precursor that can be further upgraded to transportation fuels and an aqueous phase containing water-soluble organic impurities. Converting small oxygenated compounds that partition into the water phase into larger, hydrophobic compounds can reduce aqueous phase remediation costs and improve energy yields. HTL was investigated at 300 °C and a reaction time of 1 h for conversion of an institutional food waste to bio-oil, using either homogeneous Na2CO3 or heterogeneous CeZrOx to promote in situ conversion of water-soluble organic compounds into less oxygenated, oil-soluble products. Results with food waste indicate that CeZrOx improves both bio-oil higher heating value (HHV and energy recovery when compared both to non-catalytic and Na2CO3-catalyzed HTL. The aqueous phase obtained using CeZrOx as an HTL catalyst contained approximately half the total organic carbon compared to that obtained using Na2CO3—suggesting reduced water treatment costs using the heterogeneous catalyst. Experiments with model compounds indicated that the primary mechanism of action was condensation of aldehydes, a reaction which simultaneously increases molecular weight and oxygen-to-carbon ratio—consistent with the improvements in bio-oil yield and HHV observed with institutional food waste. The catalyst was stable under hydrothermal conditions (≥16 h at 300 °C and could be reused at least three times for conversion of model aldehydes to water insoluble products. Energy and economic analysis suggested favorable performance for the

MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect

International Nuclear Information System (INIS)

Gauden, Piotr A; Terzyk, Artur P; Furmaniak, Sylwester; Zieliński, Wojciech; Włoch, Jerzy; Kowalczyk, Piotr

2014-01-01

The results of systematic studies of organics adsorption from aqueous solutions (at the neutral pH level) in a system of slit-like carbon pores having different sizes and oxygen groups located at the pore mouth are reported. Using molecular dynamics simulations (GROMACS package) the properties of adsorbent–adsorbate (benzene, phenol or paracetamol) as well as adsorbent–water systems are discussed. After the introduction of surface oxygen functionalities, adsorption of organic compounds decreases (in accordance with experimental data) and this is caused by the accumulation of water molecules at pore entrances. The pore blocking effect decreases with the diameter of slits and practically vanishes for widths larger than approx. 0.68 nm. We observed the increase in phenol adsorption with the rise in temperature. Moreover, adsorbed molecules occupy the external surface of the slit pores (the entrances) in the case of oxidized adsorbents. Among the studied molecules benzene, phenol and paracetamol prefer an almost flat orientation and with the rise in the pore width the number of molecules oriented in parallel decreases. The decrease or increase in temperature (with respect to 298 K) leads to insignificant changes of angular orientation of adsorbed molecules. (paper)

Simulation and optimization of fractional crystallization processes

DEFF Research Database (Denmark)

Thomsen, Kaj; Rasmussen, Peter; Gani, Rafiqul

1998-01-01

A general method for the calculation of various types of phase diagrams for aqueous electrolyte mixtures is outlined. It is shown how the thermodynamic equilibrium precipitation process can be used to satisfy the operational needs of industrial crystallizer/centrifuge units. Examples of simulation...... and optimization of fractional crystallization processes are shown. In one of these examples, a process with multiple steady states is analyzed. The thermodynamic model applied for describing the highly non-ideal aqueous electrolyte systems is the Extended UNIQUAC model. (C) 1998 Published by Elsevier Science Ltd...

Density Fluctuation in Aqueous Solutions and Molecular Origin of Salting-Out Effect for CO2

International Nuclear Information System (INIS)

Ho, Tuan Anh; Ilgen, Anastasia

2017-01-01

Using molecular dynamics simulation, we studied the density fluctuations and cavity formation probabilities in aqueous solutions and their effect on the hydration of CO 2 . With increasing salt concentration, we report an increased probability of observing a larger than the average number of species in the probe volume. Our energetic analyses indicate that the van der Waals and electrostatic interactions between CO 2 and aqueous solutions become more favorable with increasing salt concentration, favoring the solubility of CO 2 (salting in). However, due to the decreasing number of cavities forming when salt concentration is increased, the solubility of CO 2 decreases. The formation of cavities was found to be the primary control on the dissolution of gas, and is responsible for the observed CO 2 salting-out effect. Finally, our results provide the fundamental understanding of the density fluctuation in aqueous solutions and the molecular origin of the salting-out effect for real gas.

Studies on total polyphenols and reducing power of aqueous extracts from selected lamiaceae species

Directory of Open Access Journals (Sweden)

Maria Cioroi

2010-08-01

Full Text Available Certain phytochemicals in species are attracting increased attention because of a wide range of biological activities especially the possible cancer preventive properties. Polyphenols, the naturalantioxidants are present in plant extracts and they play a key role in antioxidative defence mechanisms in biological systems and they act as free radicals scavenging agents. Polyphenols might thereforeinhibit development of coronary heart disease and cancers. Basil, oregano and sage are highly fragrant plants whose leaves are used as a seasoning herb for many different types of foods. Aqueous extractswere prepared from basil (Ocimum basilicum L., oregano (Origanum vulgare L. and sage (Salvia officinalis L.. To check the phenols presence, the UV-VIS spectrum was made. The amount of polyphenolic compounds from selected Lamiaceae species was determined by spectrophotometry method using the Folin - Ciocalteau reagent and gallic acid as standard. The range of polyphenols total was between 516,352 mg/100g dried species and 859,617 mg/100g dried species.Reducing power has been established by measuring the redox potential of aqueous extracts. Antioxidant activity was directly correlated with the total amount of polyphenols in the species extracts.The free reducing sugars in aqueous extracts from species were analyzed and correlated to the total content of polyphenols.

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

2007-01-01

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.

Performance properties, lactic acid specific migration and swelling by simulant of biodegradable poly(lactic acid)/nanoclay multilayer films for food packaging.

Science.gov (United States)

Scarfato, Paola; Di Maio, Luciano; Milana, Maria Rosaria; Giamberardini, Silvia; Denaro, Massimo; Incarnato, Loredana

2017-10-01

The aim of the study was the development of a multifunctional, high-performance, fully biodegradable multilayer polylactic acid (PLA) film for food packaging applications. In particular, sealable multilayer PLA-clay nanocomposite systems with different layouts in terms of composition and relative thickness of the layers, all consisting of a PLA-clay nanocomposite layer between two pure PLA layers for direct food contact, were designed and produced by blown film co-extrusion. The films obtained were analysed for their morphology, functional properties and lactic acid (LA)-specific migration in 50% ethanol. The results showed that, with respect to the unfilled multilayer system, taken as a reference, the nanocomposite films had significant improvements, up to about 40%, in their barriers to oxygen and tensile strengths, and resulted in being more easily sealable over a wide heat-sealing temperature range (80-100°C) with higher seal strength. Moreover, all films had LA migrations always well below the former generic overall migration limit of 60 mg kg -1 food (10 mg dm - 2 ) of European Union Regulation No. 10/2011 (deleted by the amending Regulation No. 2016/1416), even if their morphology was strongly modified during the migration tests due to the strong swelling action of the used simulant (simulant D1 = 50% ethanol (aq.) (v/v)) towards PLA.

Interaction of indium trichloride with calcium carbonate in aqueous solutions

International Nuclear Information System (INIS)

Kochetkova, N.V.; Toptygina, G.M.; Soklakova, O.V.; Evdokimov, V.I.

1991-01-01

Interaction of indium trichloride with calcium carbonate in aqueous solutions was studied, using methods of potentiometry, isothermal solubility and physicochemical computer simulating. The Gibb's energy value for crystal indium trihydroxide formation was calculated on the basis of experimental data on In(OH) 3 solubility. The value obtained was used for estimating equilibrium composition of InCl 3 -HCl-CaCO 3 -CO 2 -H 2 O system at a temperature of 25 deg C and carbon dioxide partial pressure of 0.05 to 1 at

Evaluation of chemical elements migration from food packaging plastics into food

International Nuclear Information System (INIS)

Kamiya, Adriana M.; Fulfaro, Roberto; Saiki, Mitiko

2000-01-01

This work presents results of As, Cd, Co, Cr, Sb, Se, Sn, and Zn obtained in the analysis of plastics from food packing materials by instrumental neutron activation analysis. The radiometric method was also applied to evaluate the migration of Co and Sb from the plastic into the food simulant. The possible sources of the toxic elements in plastic materials and the advantages of radiometric method in the migration evaluation are discussed. (author)

Molecular Dynamics Simulation Studies of Caffeine Aggregation in Aqueous Solution

OpenAIRE

Tavagnacco, Letizia; Schnupf, Udo; Mason, Philip E.; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W.

2011-01-01

Molecular dynamics simulations were carried out on a system of eight independent caffeine molecules in a periodic box of water at 300 K, representing a solution near the solubility limit for caffeine at room temperature, using a newly-developed CHARMM-type force field for caffeine in water. Simulations were also conducted for single caffeine molecules in water using two different water models (TIP3P and TIP4P). Water was found to structure in a complex fashion around the planar caffeine molec...

Sorbic acid interaction with sulfur dioxide in model food systems

Energy Technology Data Exchange (ETDEWEB)

Namor, O G

1987-01-01

The first chapter deals with the chemistry of sorbic acid and sulfur dioxide. The second chapter describes a study of the degradation products of sorbic acid, in aqueous systems, in the presence of sulfur dioxide and a possible mechanism for the occurrence of these products is proposed. Chapter three deals with the preparation and degradation of 6-(/sup 13/C)sorbic acid in order to find evidence for, or against, the mechanism proposed in chapter two. It also gives details of syntheses attempted in order to obtain 6- (/sup 13/C)sorbic acid. The interaction of sorbic acid and sulfur dioxide in real food systems is the subject of the fourth chapter. The food systems studied were mayonnaise, tomato puree, orange juice and cottage cheese. The effect of packaging on the rate of degradation of sorbic acid was also investigated. The final chapter deals with a microbiological study of two homologues of sorbic acid, 2,4-heptadienoic acid, 2,4-octadienoic acid. The fungicidal activity of these two compounds, towards selected fungi, was analyzed. 4-Oxobut-2-enoic acid, a degradation product of sorbic acid in aqueous systems, was also analyzed as a possible fungistat.

PHYSICO-CHEMICAL DETERMINATION OF CARBOHYDRATES IN THE FOODS AND BEVERAGES

Directory of Open Access Journals (Sweden)

I. I. Korenman

2014-01-01

Full Text Available Summary. The extraction of fructose, glucose, galactose, sucrose and lactose from aqueous salt solutions, hydrophilic solvents (aliphatic alcohols, alkyl acetates, ketones of double and triple mixtures has been studied. Under identical conditions set quantitative characteristics extraction has been established. It was found that from the all studied carbohydrateы most fully extracted disaccharides lactose and sucrose. The conditions of concentration and almost complete recovery of carbohydrates from aqueous salt solutions has beenoptimized. The technique of extraction-potentiometric selective determination of carbohydrates in foods and beverages has been developed. As a titrant was used isopropanol solution of boric acid. The developed method allows to determine separately the mono- or disaccharides in milk, which include those contained 5 or less carbohydrates. The complex of photocolorimetric, polarimetric, potentiometric and chromatographic methods for determining carbohydrates in aqueous media and food (diabetic confectionery, juices, dairy products, honey wasproposed. To determine the fructose, glucose and sucrose in natural juices us used optical methods (photoelectrocolorimeters, polarimetry. Method is express, does not require expensive equipment and reagents. Fructose and sucrose in diabetic confectionery was determined by ascending thin layer chromatography. Some diabetic products based on fructose, produced by Russian confectionery factorieshas beenanalyzed. Duration analysis, 50-60 minutes, selective determination of error within 5-7%. Extracts from honey and milk were analyzed potentiometrically. We have developed a technique characterized by the following advantages compared with state standards: rapidity (analysis time 30-35 min, accuracy (relative error within 5 %, does not require expensive equipment and reagents, as well as dilution and filtration of milk stage sampling.

The dynamic simulation model of soybean in Central Java to support food self sufficiency: A supply chain perspective

Science.gov (United States)

Oktyajati, Nancy; Hisjam, Muh.; Sutopo, Wahyudi

2018-02-01

Consider food become one of the basic human needs in order to survive so food sufficiency become very important. Food sufficiency of soybean commodity in Central Java still depends on imported soybean. Insufficiency of soybean because of there is much gap between local soybean productions and its demand. In the year 2016 the shortage of supply soybean commodity as much 68.79%. Soybean is an important and strategic commodity after rice and corn. The increasing consumption of soybean is related to increasing population, increasing incomes, changing of healthy life style. The aims of this study are to determine the soybean dynamic model based on supply chain perspective, define the proper price of local soybean to trigger increasing of local production, and to define the alternative solution to support food self sufficiency. This study will capture the real condition into dynamics model, then simulate a series of scenario into a computer program to obtain the best results. This study will be conducted the following first scenario with government intervention policy and second without government intervention policy. The best solution of the alternative can be used as government consideration for governmental policy. The results of the propose scenarios showed that self sufficiency on soybean can be achieved after the next 20 years by increasing planting area 4% and land productivity 1% per year.

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

2011-01-01

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

Effective interactions in lysozyme aqueous solutions: a small-angle neutron scattering and computer simulation study.

Science.gov (United States)

Abramo, M C; Caccamo, C; Costa, D; Pellicane, G; Ruberto, R; Wanderlingh, U

2012-01-21

We report protein-protein structure factors of aqueous lysozyme solutions at different pH and ionic strengths, as determined by small-angle neutron scattering experiments. The observed upturn of the structure factor at small wavevectors, as the pH increases, marks a crossover between two different regimes, one dominated by repulsive forces, and another one where attractive interactions become prominent, with the ensuing development of enhanced density fluctuations. In order to rationalize such experimental outcome from a microscopic viewpoint, we have carried out extensive simulations of different coarse-grained models. We have first studied a model in which macromolecules are described as soft spheres interacting through an attractive r(-6) potential, plus embedded pH-dependent discrete charges; we show that the uprise undergone by the structure factor is qualitatively predicted. We have then studied a Derjaguin-Landau-Verwey-Overbeek (DLVO) model, in which only central interactions are advocated; we demonstrate that this model leads to a protein-rich/protein-poor coexistence curve that agrees quite well with the experimental counterpart; experimental correlations are instead reproduced only at low pH and ionic strengths. We have finally investigated a third, "mixed" model in which the central attractive term of the DLVO potential is imported within the distributed-charge approach; it turns out that the different balance of interactions, with a much shorter-range attractive contribution, leads in this latter case to an improved agreement with the experimental crossover. We discuss the relationship between experimental correlations, phase coexistence, and features of effective interactions, as well as possible paths toward a quantitative prediction of structural properties of real lysozyme solutions. © 2012 American Institute of Physics

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.

2004-01-01

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

Simulation of radioactive cesium transfer in the southern Fukushima coastal biota using a dynamic food chain transfer model

International Nuclear Information System (INIS)

Tateda, Yutaka; Tsumune, Daisuke; Tsubono, Takaki

2013-01-01

The Fukushima Dai-ichi Nuclear Power Plant (1F NPP) accident occurred on 11 March 2011. The accident introduced 137 Cs into the coastal waters which was subsequently transferred to the local coastal biota thereby elevating the concentration of this radionuclide in coastal organisms. In this study, the radioactive cesium levels in coastal biota from the southern Fukushima area were simulated using a dynamic biological compartment model. The simulation derived the possible maximum radioactive cesium levels in organisms, indicating that the maximum 137 Cs concentrations in invertebrates, benthic fish and predator fish occurred during late April, late May and late July, respectively in the studied area where the source was mainly the direct leakage of 137 Cs effluent from the 1F NPP. The delay of a 137 Cs increase in fish was explained by the gradual food chain transfer of 137 Cs introduced to the ecosystem from the initial contamination of the seawater. The model also provided the degree of radionuclide depuration in organisms, and it demonstrated the latest start of the decontamination phase in benthic fish. The ecological half-lives, derived both from model simulation and observation, were 1–4 months in invertebrates, and 2–9 months in plankton feeding fish and coastal predator fish from the studied area. In contrast, it was not possible to similarly calculate these parameters in benthic fish because of an unidentified additional radionuclide source which was deduced from the biological compartment model. To adequately reconstruct the in-situ depuration of radiocesium in benthic fish in the natural ecosystem, a contamination source associated with the bottom sediments is necessary. -- Highlights: • Cs-137 in the southern Fukushima coastal biota were simulated using a dynamic biological compartment model. • Simulation derived contamination phase of marine biota was completed until late April to July 2011. • The delay of Cs-137 concentration increase in fish

Numerical simulation of in-situ DNAPL remediation by alcohol flooding

Energy Technology Data Exchange (ETDEWEB)

Falta, R.W.; Brame, S.E. [Earth Science Department, Clemson, SC (United States)

1995-03-01

The removal of residual saturations of dense non-aqueous phase liquids (DNAPLs) from below the water table using alcohol solutions is under investigation as a potential remediation tool. Alcohol flooding reduces the interfacial tension (IFT) an density difference between the aqueous and DNAPL phases, and increases the chemical solubility in the aqueous phase. Depending on the partitioning behavior of the alcohol/chemical system, DNAPL can be removed by either mobilization as a separate phase or through enhanced dissolution. A new three dimensional multiphase numerical simulator has been developed for modeling this process. The code is based on the general TOUGH2 Integral Finite Difference formulation for multiphase transport with modifications to account for the complex behavior of an alcohol/water/DNAPL system. The alcohol flood code uses a special equation of state module for computing phase compositions, IFT, saturations, densities, viscosities, relative permeabilities, and capillary pressures during each time step. This equation of state is based on a numerical interpolation of experimentally determined ternary phase data. The code was designed so that it can readily be applied to other three-component, two-phase problems such as surfactant and solvent floods given appropriate ternary data. Comparisons of simulation results with column experiments performed at Clemson University were used to validate the simulator.

Fluorescence spectral studies of Gum Arabic: Multi-emission of Gum Arabic in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Dhenadhayalan, Namasivayam, E-mail: ndhena@gmail.com [Department of Chemistry, National Taiwan University, Taipei, Taiwan (China); Mythily, Rajan, E-mail: rajanmythily@gmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India); Kumaran, Rajendran, E-mail: kumaranwau@rediffmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India)

2014-11-15

Gum Arabic (GA), a food hydrocolloid is a natural composite obtained from the stems and branches of Acacia Senegal and Acacia Seyal trees. GA structure is made up of highly branched arabinogalactan polysaccharides. Steady-state absorption, fluorescence, and time-resolved fluorescence spectral studies of acid hydrolyzed GA solutions were carried out at various pH conditions. The fluorescence in GA is predominantly attributed to the presence of tyrosine and phenylalanine amino acids. The presence of multi-emissive peaks at different pH condition is attributed to the exposure of the fluorescing amino acids to the aqueous phase, which contains several sugar units, hydrophilic and hydrophobic moieties. Time-resolved fluorescence studies of GA exhibits a multi-exponential decay with different fluorescence lifetime of varying amplitude which confirms that tyrosine is confined to a heterogeneous microenvironment. The existence of multi-emissive peaks with large variation in the fluorescence intensities were established by 3D emission contour spectral studies. The probable location of the fluorophore in a heterogeneous environment was further ascertained by constructing a time-resolved emission spectrum (TRES) and time-resolved area normalized emission spectrum (TRANES) plots. Fluorescence spectral technique is used as an analytical tool in understanding the photophysical properties of a water soluble complex food hydrocolloid containing an intrinsic fluorophore located in a multiple environment is illustrated. - Highlights: • The Manuscript deals with the steady state absorption, emission, fluorescence lifetime and time-resolved emission spectrum studies of Gum Arabic in aqueous medium at various pH conditions. • The fluorescence emanates from the tyrosine amino acid present in GA. • Change in pH results in marked variation in the fluorescence spectral properties of tyrosine. • Fluorescence spectral techniques are employed as a tool in establishing the

Thermometric titration of some monoprotic and diprotic acids in aqueous and non-aqueous media.

Science.gov (United States)

Harries, R J

1968-12-01

Some mono- and diprotic acids have been titrated thermometrically with strong alkalis in aqueous and non-aqueous media. Thermograms with sharp arrest points were obtained, from which heats of neutralization were measured. Heats of neutralization in the media used were compared and an effect attributable to hydrogen bonding was found.

Isolation and Quantification of Polyamide Cyclic Oligomers in Kitchen Utensils and Their Migration into Various Food Simulants.

Science.gov (United States)

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

2016-01-01

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.

Isolation and Quantification of Polyamide Cyclic Oligomers in Kitchen Utensils and Their Migration into Various Food Simulants.

Directory of Open Access Journals (Sweden)

Yutaka Abe

Full Text Available 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.

A plant wide aqueous phase chemistry model describing pH variations and ion speciation/pairing in wastewater treatment process models

DEFF Research Database (Denmark)

Flores-Alsina, X.; Mbamba, C. Kazadi; Solon, K.

cationic/anionic loads. In this way, the general applicability/flexibility of the proposed approach is demonstrated by implementing the aqueous phase chemistry module in some of the most frequently used WWTP process simulation models. Finally, it is shown how traditional wastewater modelling studies can......, require a major, but unavoidable, additional degree of complexity when representing cationic/anionic behaviour in Activated Sludge (AS)/Anaerobic Digestion (AD) systems (Ikumi et al., 2014). In this paper, a plant-wide aqueous phase chemistry module describing pH variations plus ion speciation...... of Ordinary Differential Equations (ODEs) in order to reduce the overall stiffness of the system, thereby enhancing simulation speed. Additionally, a multi-dimensional version of the Newton-Raphson algorithm is applied to handle the existing multiple algebraic inter-dependencies (Solon et al., 2015...

Synthesis and Characterization of Mixed Iron-Manganese Oxide Nanoparticles and Their Application for Efficient Nickel Ion Removal from Aqueous Samples

Science.gov (United States)

Serra, Antonio; Monteduro, Anna Grazia; Padmanabhan, Sanosh Kunjalukkal; Licciulli, Antonio; Bonfrate, Valentina; Salvatore, Luca; Calcagnile, Lucio

2017-01-01

Mixed iron-manganese oxide nanoparticles, synthesized by a simple procedure, were used to remove nickel ion from aqueous solutions. Nanostructures, prepared by using different weight percents of manganese, were characterized by transmission electron microscopy, selected area diffraction, X-ray diffraction, Raman spectroscopy, and vibrating sample magnetometry. Adsorption/desorption isotherm curves demonstrated that manganese inclusions enhance the specific surface area three times and the pores volume ten times. This feature was crucial to decontaminate both aqueous samples and food extracts from nickel ion. Efficient removal of Ni2+ was highlighted by the well-known dimethylglyoxime test and by ICP-MS analysis and the possibility of regenerating the nanostructure was obtained by a washing treatment in disodium ethylenediaminetetraacetate solution. PMID:28804670

Spectroscopy and picosecond dynamics of aqueous NO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gadegaard, Ane Riis; Thøgersen, Jan; Jensen, Svend Knak; Nielsen, Jakob Brun; Jensen, Frank; Keiding, Søren Rud, E-mail: keiding@chem.au.dk [Department of Chemistry, Aarhus University, Langelandsgade 140, DK 8000 Aarhus C (Denmark); Jena, Naresh K.; Odelius, Michael [Department of Physics, Albanova University Center, Stockholm University, S-106 91 Stockholm (Sweden)

2014-08-14

We investigate the formation of aqueous nitrogen dioxide, NO{sub 2} formed through femtosecond photolysis of nitrate, NO{sub 3}{sup −}(aq) and nitromethane CH{sub 3}NO{sub 2}(aq). Common to the experiments is the observation of a strong induced absorption at 1610 ± 10 cm{sup −1}, assigned to the asymmetric stretch vibration in the ground state of NO{sub 2}. This assignment is substantiated through isotope experiments substituting {sup 14}N by {sup 15}N, experiments at different pH values, and by theoretical calculations and simulations of NO{sub 2}–D{sub 2}O clusters.

Non-aqueous pigmented inkjet inks

NARCIS (Netherlands)

DEROOVER, GEERT; Bernaerts, Katrien; HOOGMARTENS, IVAN

2009-01-01

A non-aqueous inkjet ink comprises a benzimidazolone pigment and a polymeric dispersant according to Formula (I): wherein, T represents hydrogen or a polymerization terminating group; Z represents theA non-aqueous inkjet ink comprises a benzimidazolone pigment and a polymeric dispersant according to

Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution

DEFF Research Database (Denmark)

Eriksen, Janus J.; Olsen, Jógvan Magnus H.; Aidas, Kestutis

2011-01-01

to the results stemming from the conformations extracted from the MM conformational search in terms of replicating an experimental reference as well as in achieving the correct sequence of the NMR relative chemical shifts of L-tryptophan in aqueous solution. We find this to be due to missing conformations......In this study, we have applied two different spanning protocols for obtaining the molecular conformations of L-tryptophan in aqueous solution, namely a molecular dynamics simulation and a molecular mechanics conformational search with subsequent geometry re-optimization of the stable conformers...... using a quantum mechanically based method. These spanning protocols represent standard ways of obtaining a set of conformations on which NMR calculations may be performed. The results stemming from the solute–solvent configurations extracted from the MD simulation at 300 K are found to be inferior...

Effects of mannose, fructose, and fucose on the structure, stability, and hydration of lysozyme in aqueous solution

DEFF Research Database (Denmark)

Rahim, Abdoul; Peters, Günther H.J.; Jalkanen, Karl J.

2013-01-01

The bio-protective properties of monosaccharaides, namely mannose, fructose and fucose, on the stability and dynamical properties of the NMR determined hen egg-white lysozyme structure have been investigated by means of molecular dynamics simulations at room temperature in aqueous solution and in...... of the solvent and sugar distributions around lysozyme was used to investigate the interfacial solvent and sugar structure near the protein surface.......The bio-protective properties of monosaccharaides, namely mannose, fructose and fucose, on the stability and dynamical properties of the NMR determined hen egg-white lysozyme structure have been investigated by means of molecular dynamics simulations at room temperature in aqueous solution and in 7...... and 13 wt % concentrations of the three sugars. Results are discussed in the framework of the bio-protective phenomena. The three sugars show similar bio-protective behaviours at room temperature (300 K) in the concentration range studied as shown by the small RMSDs of the resulting MD structures from...

Training Graduate and Undergraduate Students in Simulation and Risk Assessment for Carbon Sequestration

Energy Technology Data Exchange (ETDEWEB)

McCray, John

2013-09-30

Capturing carbon dioxide (CO2) and injecting it into deep underground formations for storage (carbon capture and underground storage, or CCUS) is one way of reducing anthropogenic CO2 emissions. Gas or aqueous-phase leakage may occur due to transport via faults and fractures, through faulty well bores, or through leaky confining materials. Contaminants of concern include aqueous salts and dissolved solids, gaseous or aqueous-phase organic contaminants, and acidic gas or aqueous-phase fluids that can liberate metals from aquifer minerals. Understanding the mechanisms and parameters that can contribute to leakage of the CO2 and the ultimate impact on shallow water aquifers that overlie injection formations is an important step in evaluating the efficacy and risks associated with long-term CO2 storage. Three students were supported on the grant Training Graduate and Undergraduate Students in Simulation and Risk Assessment for Carbon Sequestration. These three students each examined a different aspect of simulation and risk assessment related to carbon dioxide sequestration and the potential impacts of CO2 leakage. Two performed numerical simulation studies, one to assess leakage rates as a function of fault and deep reservoir parameters and one to develop a method for quantitative risk assessment in the event of a CO2 leak and subsequent changes in groundwater chemistry. A third student performed an experimental evaluation of the potential for metal release from sandstone aquifers under simulated leakage conditions. This study has resulted in two student first-authored published papers {Siirila, 2012 #560}{Kirsch, 2014 #770} and one currently in preparation {Menke, In prep. #809}.

Dimethoate and atrazine retention from aqueous solution by nanofiltration membranes.

Science.gov (United States)

Ahmad, A L; Tan, L S; Shukor, S R Abd

2008-02-28

In order to produce sufficient food supply for the ever-increasing human population, pesticides usage is indispensable in the agriculture sector to control crop losses. However, the effect of pesticides on the environment is very complex as undesirable transfers occur continually among different environmental sections. This eventually leads to contamination of drinking water source especially for rivers located near active agriculture practices. This paper studied the application of nanofiltration membrane in the removal of dimethoate and atrazine in aqueous solution. Dimethoate was selected as the subject of study since it is being listed as one of the pesticides in guidelines for drinking water by World Health Organization. Nevertheless, data on effectiveness of dimethoate rejection using membranes has not been found so far. Meanwhile, atrazine is classified as one of the most commonly used pesticides in Malaysia. Separation was done using a small batch-type membrane separation cell with integrated magnetic stirrer while concentration of dimethoate and atrazine in aqueous solution was analyzed using high performance liquid chromatography (HPLC). Four nanofiltration membranes NF90, NF200, NF270 and DK were tested for their respective performance to separate dimethoate and atrazine. Of all four membranes, NF90 showed the best performance in retention of dimethoate and atrazine in water.

Metal separations using aqueous biphasic partitioning systems

International Nuclear Information System (INIS)

Chaiko, D.J.; Zaslavsky, B.; Rollins, A.N.; Vojta, Y.; Gartelmann, J.; Mego, W.

1996-01-01

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

Carbon nanotube release from polymers into a food simulant.

Science.gov (United States)

Xia, Yining; Uysal Unalan, Ilke; Rubino, Maria; Auras, Rafael

2017-10-01

The release assessment of multi-walled carbon nanotubes (CNTs) was performed on two types of polymer-CNT nanocomposites: polypropylene (PP) and polyamide 6 (PA6) containing 3 wt% CNT. Nanocomposite films were prepared and then exposed to ethanol as a fatty-food simulant at 40 °C, and the amount of CNT release into ethanol was determined by ultraviolet-visible spectroscopy (UV-Vis) and graphite furnace atomic absorption spectrometry (GFAAS). The CNTs released into ethanol were visualized by transmission electron microscopy (TEM) and verified by Raman spectroscopy. UV-Vis analysis showed a very small amount of CNT release from the nanocomposite films into ethanol over 60 d: maximum CNT concentrations in ethanol were 1.3 mg/L for the PP-CNT film and 1.2 mg/L for the PA6-CNT film. GFAAS results indicated that the amount of CNTs released into ethanol after 12 d was over 20-fold higher than the results obtained by UV-Vis. Overestimation of CNT release by GFAAS suggested aggregation and poor dispersion of CNTs in the solvent. This assumption was verified by TEM images exhibiting the embedded CNTs in the polymer flakes, which could be poorly dispersed in the solvent. In general, CNT release from the nanocomposite films was considered a surface phenomenon, as indicated by detachment of CNT-containing polymer flakes from the film surface. Copyright © 2017 Elsevier Ltd. All rights reserved.

Molecular Dynamics Investigation of the Effects of Concentration on Hydrogen Bonding in Aqueous Solutions of Methanol, Ethylene Glycol and Glycerol

International Nuclear Information System (INIS)

Zhang, Ning; Li, Weizhong; Chen, Cong; Zuo, Jianguo; Weng, Lindong

2013-01-01

Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions

Grazing experiments and model simulations of the role of zooplankton in Phaeocystis food webs

Science.gov (United States)

Verity, P. G.

2000-08-01

A combined empirical and modelling study was conducted to further examine the potential importance of grazing by zooplankton in pelagic food webs in which Phaeocystis is a significant or dominant component. Laboratory experiments were designed to measure ingestion of Phaeocystis and other potential prey items which co-occur with Phaeocystis. Grazers included copepods and ciliates, and prey included Phaeocystis colonies and solitary cells, diatoms, ciliates, bacteria, and detritus. These data were expressed in the model currency of nitrogen units, and fit to hyperbolic tangent equations which included minimum prey thresholds. These equations and literature data were used to constrain a food web model whose purpose was to investigate trophic interactions rather than to mimic actual events. Nevertheless, the model output was similar to the general pattern and magnitude of development of Phaeocystis-diatom communities in some environments where they occur, e.g. north Norwegian waters. The model included three forms of nitrogen, three phytoplankton groups, bacteria, two zooplankton groups, and detritus, with detailed flows between compartments. An important component of the model was inclusion of variable prey preferences for zooplankton. The experiments and model simulations suggest several salient conclusions. Phaeocystis globosa colonies were eaten by a medium-sized copepod species, but ingestion appeared to be strongly dependent upon a proper size match between grazer and prey. If not, colonies were eaten little if at all. Phaeocystis solitary cells were ingested rapidly by ciliate microzooplankton, in agreement with prior literature observations. In contrast, detritus was eaten comparatively slowly by both ciliates and copepods. Both types of zooplankton exhibited apparent minimum prey thresholds below which grazing did not occur or was inconsequential. Model simulations implied that transitions between life cycle stages of Phaeocystis may potentially be important

Removal of Co(II) from aqueous solution by using hydroxyapatite

International Nuclear Information System (INIS)

Yan Huang; Liang Chen; Hualin Wang

2012-01-01

Herein, hydroxyapatite (HAP) was prepared by aqueous precipitation technique and was characterized by using FT-IR and XRD to determine its chemical functional groups and micro-structure. The removal of cobalt from aqueous solution to HAP was studied by batch technique as a function of various environmental parameters such as contact time, pH, ionic strength, foreign ions, fulvic acid (FA), and temperature under ambient conditions. The results indicated that the sorption of Co(II) on HAP was strongly dependent on pH and ionic strength. The presence of FA enhanced the sorption of Co(II) on HAP at low pH, whereas reduced Co(II) sorption on HAP at high pH. The Langmuir, Freundlich and D-R models were used to simulate the sorption isotherms at three different temperatures of 303.15, 323.15 and 343.15 K. The thermodynamic parameters (ΔHdeg, ΔSdeg and ΔGdeg) calculated from the temperature dependent sorption isotherms indicated that the sorption process of Co(II) on HAP was spontaneous and endothermic. The sorption of Co(II) was dominated by outer-sphere surface complexation and ion exchange at low pH, whereas inner-sphere surface complexation or surface precipitation was the main sorption mechanism at high pH values. The results suggest that the HAP is a suitable material in the preconcentration and solidification of Co(II) from large volumes of aqueous solutions. (author)

Protective effect of aqueous extract from Spirulina platensis against cell death induced by free radicals

OpenAIRE

Radhakrishnan Ammu; Lim Yen-Wei; Chu Wan-Loy; Lim Phaik-Eem

2010-01-01

Abstract Background Spirulina is a commercial alga well known to contain various antioxidants, especially phycocyanin. Apart from being sold as a nutraceutical, Spirulina is incorporated as a functional ingredient in food products and beverages. Most of the previous reports on antioxidant activity of Spirulina were based on chemical rather than cell-based assays. The primary objective of this study was to assess the antioxidant activity of aqueous extract from Spirulina based on its protectiv...

The aqueous chemistry of oxides

CERN Document Server

Bunker, Bruce C

2016-01-01

The Aqueous Chemistry of Oxides is a comprehensive reference volume and special topics textbook that explores all of the major chemical reactions that take place between oxides and aqueous solutions. The book highlights the enormous impact that oxide-water reactions have in advanced technologies, materials science, geochemistry, and environmental science.

Effect of ionizing radiation on cholesterol in aqueous dispersion

International Nuclear Information System (INIS)

Lakritz, L.; Maerker, G.

1989-01-01

Aqueous sodium stearate dispersions of cholesterol were irradiated at 0-2 degrees C with absorbed doses ranging from 2.5 to 50 kGy. The resulting mixture of cholesterol derivatives was isolated and examined for 7-ketocholesterol and cholesterol 5 alpha, 6 alpha-epoxide and 5 beta, 6 beta-epoxide content. Concentrations of all three compounds increased with dose, while the ratio of 7-ketocholesterol to total epoxides decreased with increasing dose. The ratio of 7-ketocholestrol to the epoxides was approximately 1 or below at all dose levels while the same ratio in autoxidations of cholesterol in dispersions was normally 6 or greater. The change in the keto/epoxide ratio may be a means for determining whether meat or other foods containing cholesterol have been subjected to ionizing radiation

3-MONOKLORO-1,2-PROPANDIOL PADA KEMASAN KERTAS DUPLEKS SERTA MIGRASINYA KE DALAM SIMULAN PANGAN [3-Monochoro-1,2-Propandiol in Duplex Paper Packaging and Its Migration Into Food Simulant

Directory of Open Access Journals (Sweden)

Ira Dwi Rachmani

2015-07-01

Full Text Available 3-Monochloro-1,2-propandiol (3-MCPD is a carcinogenic food contaminant. 3-MCPD is formed during food processing, and can also be derived from food contact packaging materials, including paper. Wet-strength resin is often added into paper food packaging to provide moisture resistance and thus enhancing food shelf-life and consumer usage. The wet-strength resins which are manufactured from epichlorohydrin-based starting materials, are known to initiate the formation of 3-MCPD. Thus, the objectives of this study were: 1 to validate an analytical method for the analysis 3-MCPD in duplex paper packaging, 2 to analyze3-MCPD content in duplex paper, and 3 to analyze 3-MCPD migration from duplex paper packaging into food simulants. 3-MCPD content in duplex paper was analyzed by a validated GC-MS method with linearity value (R2 of 0.993, limit of detection (LOD of 6.65 ppb, limit of quantification (LOQ of 22.15 ppb, and recovery range of 83.00–114.13%. The 3-MCPD content of five sample duplex papers obtained from different packaging paper manufacturers were ranging from 753.43 to 825.36 ppb, and there was no significant differences between the samples. Direct contact between food simulants and duplex paper for 24 hours at 40°C generated migration of 3-MCPD at levels of 40.55 to 57.61%.

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

2012-01-25

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.

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; Li, Yan; Krause, Wendy E.; Pasquinelli, Melissa A.; Rojas, Orlando J.

2012-01-01

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.

Recent results on aqueous electrolyte cells

KAUST Repository

Wessells, Colin; Huggins, Robert A.; Cui, Yi

2011-01-01

The improved safety of aqueous electrolytes makes aqueous lithium-ion batteries an attractive alternative to commercial cells utilizing flammable and expensive organic electrolytes. Two important issues relating to their use have been addressed

Analytical simulation of two dimensional advection dispersion ...

African Journals Online (AJOL)

The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would migrate ...

Analytical Simulation of Two Dimensional Advection Dispersion ...

African Journals Online (AJOL)

ADOWIE PERE

ABSTRACT: The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would ...

Synthesis and Characterization of Mixed Iron-Manganese Oxide Nanoparticles and Their Application for Efficient Nickel Ion Removal from Aqueous Samples

Directory of Open Access Journals (Sweden)

Alessandro Buccolieri

2017-01-01

Full Text Available Mixed iron-manganese oxide nanoparticles, synthesized by a simple procedure, were used to remove nickel ion from aqueous solutions. Nanostructures, prepared by using different weight percents of manganese, were characterized by transmission electron microscopy, selected area diffraction, X-ray diffraction, Raman spectroscopy, and vibrating sample magnetometry. Adsorption/desorption isotherm curves demonstrated that manganese inclusions enhance the specific surface area three times and the pores volume ten times. This feature was crucial to decontaminate both aqueous samples and food extracts from nickel ion. Efficient removal of Ni2+ was highlighted by the well-known dimethylglyoxime test and by ICP-MS analysis and the possibility of regenerating the nanostructure was obtained by a washing treatment in disodium ethylenediaminetetraacetate solution.

A Simulation Study of the Potential Effects of Healthy Food and Beverage Substitutions on Diet Quality and Total Energy Intake in Lower Mississippi Delta Adults1,2,3

Science.gov (United States)

Thomson, Jessica L.; Tussing-Humphreys, Lisa M.; Onufrak, Stephen J.; Zoellner, Jamie M.; Connell, Carol L.; Bogle, Margaret L.; Yadrick, Kathy

2015-01-01

The majority of adult diets in the United States, particularly the South, are of poor quality, putting these individuals at increased risk for chronic diseases. In this study, simulation modeling was used to determine the effects of substituting familiar, more healthful foods and beverages for less healthy ones on diet quality and total energy intake in Lower Mississippi Delta (LMD) adults. Dietary data collected in 2000 for 1,689 LMD adults who participated in the Foods of Our Delta Study were analyzed. The Healthy Eating Index-2005 (HEI-2005) was used to measure diet quality. The effects of substituting targeted foods and beverages with more healthful items on diet quality were simulated by replacing the targeted items’ nutrient profile with their replacements’ profile. For the single food and beverage groups, 100% replacement of grain desserts with juice-packed fruit cocktail and sugar-sweetened beverages with water resulted in the largest improvements in diet quality (4.0 and 3.8 points, respectively) and greatest decreases in total energy intake (98 and 215 kcal/d, respectively). The 100% substitution of all food and beverage groups combined resulted in a 12.0-point increase in HEI-2005 score and a decrease of 785 kcal/d in total energy intake. Community interventions designed to improve the diet of LMD adults through the use of familiar, healthy food and beverage substitutions have the potential to improve diet quality and decrease energy intake of this health disparate population. PMID:22031664

Changes to the Aqueous Humor Proteome during Glaucoma.

Science.gov (United States)

Kaeslin, Martha Andrea; Killer, Hanspeter Ezriel; Fuhrer, Cyril Adrian; Zeleny, Nauke; Huber, Andreas Robert; Neutzner, Albert

2016-01-01

To investigate the aqueous humor proteome in patients with glaucoma and a control group. Aqueous humor was obtained from five human donors diagnosed with primary open angle glaucoma (POAG) and five age- and sex-matched controls undergoing cataract surgery. Quantitative proteome analysis of the aqueous humor by hyper reaction monitoring mass spectrometry (HRM-MS) based on SWATH technology was performed. Expression levels of 87 proteins were found to be different between glaucomatous and control aqueous humor. Of the 87 proteins, 34 were significantly upregulated, whereas 53 proteins were downregulated in the aqueous humor from glaucoma patients compared to controls. Differentially expressed proteins were found to be involved in cholesterol-related, inflammatory, metabolic, antioxidant as well as proteolysis-related processes. Glaucoma leads to profound changes to the aqueous humor proteome consistent with an altered metabolic state, an inflammatory response and impaired antioxidant defense.

The case for local food in sustainable food-energy-water systems

Science.gov (United States)

Campbell, J. E.; Zumkehr, A. L.; Yang, Y.

2017-12-01

Local food systems, which are characterized by foodsheds with small distances between production and consumption ( 100 km), are currently experiencing explosive growth. Local food has largely been assessed within the context of transportation energy. While the effects of local food systems on transportation energy are well studied, broader implications of localization on the food-energy-water nexus are not. Furthermore, little is known about the potential for local food to scale beyond niche markets and meet a significant fraction of total food demand. Here we estimate the upper potential for all existing croplands to meet total U.S. food demand through local food networks. Our spatially explicit land-use model simulates the years 1850 through 2000 and accounts for a wide range of foodshed areas, diets, food waste, population distributions, cropland areas, and crop yields. While we find that the foodshed potential has declined in time, our results also demonstrate an unexpectedly large potential at present for supporting as much as 82% of national food demand within a 50 mile foodshed radius. The decline is associated with extreme pressures from demographic and agronomic trends that if continued could significantly undermine recent national policies focused on food localization. We then apply a life-cycle assessment approach to show that for some crops, irrigation could contribute up to 50% of the cradle-to-gate carbon emissions, thus they may benefit from food localization making use of water from wastewater treatment plants. Our results also show that local food could reduce the water footprint of lettuce by 50%. Our study suggests that exploring future scenarios, beyond assessing historical outcomes, is critical if food-energy-water research is to support sustainable decision making.

Optimisation and application of electrochemical techniques for high temperature aqueous environments

International Nuclear Information System (INIS)

Bojinov, M.; Laitinen, B. T.; Maekelae, K.; Maekelae, M; Saario, T.; Sirkiae, P.; Beverskog, B.

1999-01-01

Different localised corrosion phenomena may pose a serious hazard to construction materials employed in high-temperature aqueous environments. The operating temperatures in electric power production have been increased to improve plant efficiencies. This has lead to the demand for new, further improved engineering materials. The applicability of these materials in the operating power plant environments largely depends on the existence of a protective surface oxide film. Extensive rupture of these films can lead to increased reaction of the underlying metal with environment. Therefore by modifying the composition of the base metal the properties of the surface oxides can be optimised to withstand the new operational environments of interest. To mitigate the risk of detrimental corrosion phenomena of structural materials, mechanistic understanding of the contributing processes is required. This calls for more experimental information and necessitates the development of new experimental techniques and procedures capable of operating in situ in high temperature aqueous environments. The low conductivity of the aqueous medium complicates electrochemical studies on construction and fuel cladding materials carried out in simulated LWR coolant conditions or in actual plant conditions, especially in typical BWR environments. To obtain useful information of reactions and transport processes occurring on and within oxide films on different materials, an electrochemical arrangement based on a thin-layer electrode (TLEC) concept was developed. In this presentation the main results are shown from work carried out to optimise further the geometry of the TLEC arrangement and to propose recommendations for how to use this arrangement in different low-conductivity environments. Results will be also given from the test in which the TLEC arrangement was equipped with a detector electrode. The detector electrode allows detecting soluble products and reaction intermediates at

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

Science.gov (United States)

Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R.

2018-06-01

We present a molecular-level simulation study of CaCl2 in water and crystalline hydrates formed by CaCl2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl2.6H2O) and at high-temperature conditions (sinjarite, CaCl2.2H2O). We implement our methodologies using for both phases the CaCl2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg-1H2O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the

Speciation in Aqueous MgSO4 Fluid at High Pressures and Temperatures Studied by First-Principles Modeling and Raman Spectroscopy

Science.gov (United States)

Jahn, S.; Schmidt, C.

2008-12-01

Aqueous fluids play an essential role in mass and energy transfer in the lithosphere. Their presence has also a large effect on physical properties of rocks, e.g. the electrical conductivity. Many chemical and physical properties of aqueous fluids strongly depend on the speciation, but very little is known about this fundamental parameter at high pressures and temperatures, e.g. at subduction zone conditions. Here we use a combined approach of first-principles molecular dynamics simulation and Raman spectroscopy to study the molecular structure of aqueous 2~mol/kg MgSO4 fluids up to pressures of 3~GPa and temperatures of 750~°C. MgSO4-H2O is selected as a model system for sulfate bearing subduction zone fluids. The simulations are performed using Car-Parrinello dynamics, a system size of 120 water and four MgSO4 molecules with production runs of at least 10~ps at each P and T. Raman spectra were obtained in situ using a Bassett-type hydrothermal diamond anvil cell with external heating. Both simulation and spectroscopic data show a dynamic co-existence of various associated molecular species as well as dissociated Mg2+ and SO42- in the single phase fluid. Fitting the Raman signal in the frequency range of the ν1-SO42- stretching mode yields the P-T dependence of the relative proportions of different peaks. The latter can be assigned to species based on literature data and related to the species found in the simulation. The dominant associated species found in the P-T range of interest here are Mg-SO4 ion pairs with one (monodentate) and two (bidentate) binding sites. At the highest P and T, an additional peak is identified. At low pressures and high temperature (T>230~°C), kieserite, MgSO4·H2O, nucleated in the experiment. At the same conditions the simulations show a clustering of Mg, which is interpreted as a precursor of precipitation. In conclusion, the speciation of aqueous MgSO4 fluid shows a complex behavior at high P and T that cannot be extrapolated

Molecular dynamics study of interfacial confinement effects of aqueous NaCl brines in nanoporous carbon

Energy Technology Data Exchange (ETDEWEB)

Wander, M. C. F.; Shuford, K. L.

2010-12-09

In this paper, studies of aqueous electrolyte solutions in contact with a family of porous carbon geometries using classical molecular dynamics simulations are presented. These simulations provide an atomic scale depiction of ion transport dynamics in different environments to elucidate power of aqueous electrolyte supercapacitors. The electrolyte contains alkali metal and halide ions, which allow for the examination of size trends within specific geometries as well as trends in concentration. The electrode pores are modeled as planar graphite sheets and carbon nanotubes with interstices ranging from one to four nanometers. Ordered layers form parallel to the carbon surface, which facilitates focused ion motion under slightly confining conditions. As a result, the ion’s diffusivities are enhanced in the direction of the slit or pore. Further confining the system leads to decreased ion diffusivities. The ions are fully hydrated in all but the smallest slits and pores with those sizes showing increased ion pairing. There is strong evidence of charge separation perpendicular to the surface at all size scales, concentrations, and ion types, providing a useful baseline for examining differential capacitance behavior and future studies on energy storage. These systems show promise as high-power electrical energy storage devices.

Coulomb force directed single and binary assembly of nanoparticles from aqueous dispersions by AFM nanoxerography.

Science.gov (United States)

Palleau, Etienne; Sangeetha, Neralagatta M; Viau, Guillaume; Marty, Jean-Daniel; Ressier, Laurence

2011-05-24

We present a simple protocol to obtain versatile assemblies of nanoparticles from aqueous dispersions onto charge patterns written by atomic force microscopy, on a 100 nm thin film of polymethylmethacrylate spin-coated on silicon wafers. This protocol of nanoxerography uses a two-stage development involving incubation of the desired aqueous colloidal dispersion on charge patterns and subsequent immersion in an adequate water-soluble alcohol. The whole process takes only a few minutes. Numerical simulations of the evolution of the electric field generated by charge patterns in various solvents are done to resolve the mechanism by which nanoparticle assembly occurs. The generic nature of this protocol is demonstrated by constructing various assemblies of charged organic/inorganic/metallic (latex, silica, gold) nanoparticles of different sizes (3 to 100 nm) and surface functionalities from aqueous dispersions onto charge patterns of complex geometries. We also demonstrate that it is possible to construct a binary assembly of nanoparticles on a pattern made of positive and negative charges generated in a single charge writing step, by sequential developments in two aqueous dispersions of oppositely charged particles. This protocol literally extends the spectra of eligible colloids that can be assembled by nanoxerography and paves the way for building complex assemblies of nanoparticles on predefined areas of surfaces, which could be useful for the elaboration of nanoparticle-based functional devices.

Electronic structure of trypsin inhibitor from squash seeds in aqueous solution

Science.gov (United States)

Zheng, Haoping

2000-10-01

The electronic structure of the trypsin inhibitor from seeds of the squash Cucurbita maxima (CMTI-I) in aqueous solution is obtained by ab initio, all-electron, full-potential calculations using the self-consistent cluster-embedding (SCCE) method. The reactive site of the inhibitor is explained theoretically, which is in agreement with the experimental results. It is shown that the coordinates of oxygen atoms in the inhibitor, determined by nuclear magnetic resonance and combination of distance geometry and dynamical simulated annealing, are systematically less accurate than that of other kinds of heavy atoms.

Changes to the Aqueous Humor Proteome during Glaucoma.

Directory of Open Access Journals (Sweden)

Martha Andrea Kaeslin

Full Text Available To investigate the aqueous humor proteome in patients with glaucoma and a control group.Aqueous humor was obtained from five human donors diagnosed with primary open angle glaucoma (POAG and five age- and sex-matched controls undergoing cataract surgery. Quantitative proteome analysis of the aqueous humor by hyper reaction monitoring mass spectrometry (HRM-MS based on SWATH technology was performed.Expression levels of 87 proteins were found to be different between glaucomatous and control aqueous humor. Of the 87 proteins, 34 were significantly upregulated, whereas 53 proteins were downregulated in the aqueous humor from glaucoma patients compared to controls. Differentially expressed proteins were found to be involved in cholesterol-related, inflammatory, metabolic, antioxidant as well as proteolysis-related processes.Glaucoma leads to profound changes to the aqueous humor proteome consistent with an altered metabolic state, an inflammatory response and impaired antioxidant defense.

Probing Regenerative Potential of Moringa oleifera Aqueous Extracts Using In vitro Cellular Assays.

Science.gov (United States)

Fernandes, Evangeline E; Pulwale, Anubha V; Patil, Gauri A; Moghe, Alpana S

2016-01-01

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. 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. 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. 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. 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. Moringa oleifera flower extract showed significant ability to promote proliferation of rat fibroblast and mesenchymal stem cells. The extract also had prominent angiogenic and hepatoprotective effects.The extract did not influence proliferation of cancer cell lines indicating its safety for human consumption and use in pharmaceuticals.The Moringa oleifera leaf extract showed relatively less potential to stimulate cells but had prominent cytotoxic

Sequential Proton Loss Electron Transfer in Deactivation of Iron(IV) Binding Protein by Tyrosine Based Food Components

DEFF Research Database (Denmark)

Tang, Ning; Skibsted, Leif Horsfelt

2017-01-01

The iron(IV) binding protein ferrylmyoglobin, MbFe(IV)=O, was found to be reduced by tyrosine based food components in aqueous solution through a sequential proton loss electron transfer reaction mechanism without binding to the protein as confirmed by isothermal titration calorimetry. Dopamine a...

Impacts of WRF lightning assimilation on offline CMAQ simulations

Science.gov (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...

Food processing optimization using evolutionary algorithms | Enitan ...

African Journals Online (AJOL)

Evolutionary algorithms are widely used in single and multi-objective optimization. They are easy to use and provide solution(s) in one simulation run. They are used in food processing industries for decision making. Food processing presents constrained and unconstrained optimization problems. This paper reviews the ...

Solar Simulator

Science.gov (United States)

1981-01-01

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.

Computer simulation of laboratory leaching and washing of tank waste sludges

International Nuclear Information System (INIS)

Meng, C.D.; MacLean, G.T.; Landeene, B.C.

1994-01-01

The process simulator ESP (Environmental Simulation Program) was used to simulate laboratory caustic leaching and washing of core samples from Tanks B-110, C-109, and C-112. The results of the laboratory tests and the computer simulations are compared. The results from both, agreed reasonably well for elements contained in solid phases included in the ESP Public data bank. The use of the GEOCHEM data bank and/or a custom Hanford Data bank should improve the agreement, making ESP a useful process simulator for aqueous based processing

Adsorption mechanism of alkyl polyglucoside (APG) on calcite nanoparticles in aqueous medium at varying pH

Science.gov (United States)

Suh, Seokjin; Choi, Kyeong-Ok; Yang, Seung-Chul; Kim, Yeong Eun; Ko, Sanghoon

2017-07-01

In this study, adsorption mechanism of alkyl polyglucoside (APG) on calcium carbonate (CaCO3) nanoparticles (CCNPs) in aqueous medium at varying pH was identified. An initial adsorption of APG on CCNP surface seemed to be occurred due to the van der Waals force. An initial surface charge influenced determination of a major driving force, which resulted in hydrogen bonds (pH 7) and the hydrophobic interaction (pH 10) as a main sources of adsorption of APG on the CCNP surface. Even if the initial surface charge of CCNPs had little effect on a quantitative adsorption of APG on CCNPs, eventually, it influence on the definitive adsorption structure between APG and CCNPs and improvement of dispersion stability of CCNPs in water. In conclusion, it was revealed that 0.39% APG aqueous solution was most appropriate to improve the dispersion stability of CCNPs, which is postulated to be used effectively in food and pharmaceutical fields.

A plant-wide aqueous phase chemistry module describing pH variations and ion speciation/pairing in wastewater treatment process models.

Science.gov (United States)

Flores-Alsina, Xavier; Kazadi Mbamba, Christian; Solon, Kimberly; Vrecko, Darko; Tait, Stephan; Batstone, Damien J; Jeppsson, Ulf; Gernaey, Krist V

2015-11-15

There is a growing interest within the Wastewater Treatment Plant (WWTP) modelling community to correctly describe physico-chemical processes after many years of mainly focusing on biokinetics. Indeed, future modelling needs, such as a plant-wide phosphorus (P) description, require a major, but unavoidable, additional degree of complexity when representing cationic/anionic behaviour in Activated Sludge (AS)/Anaerobic Digestion (AD) systems. In this paper, a plant-wide aqueous phase chemistry module describing pH variations plus ion speciation/pairing is presented and interfaced with industry standard models. The module accounts for extensive consideration of non-ideality, including ion activities instead of molar concentrations and complex ion pairing. The general equilibria are formulated as a set of Differential Algebraic Equations (DAEs) instead of Ordinary Differential Equations (ODEs) in order to reduce the overall stiffness of the system, thereby enhancing simulation speed. Additionally, a multi-dimensional version of the Newton-Raphson algorithm is applied to handle the existing multiple algebraic inter-dependencies. The latter is reinforced with the Simulated Annealing method to increase the robustness of the solver making the system not so dependent of the initial conditions. Simulation results show pH predictions when describing Biological Nutrient Removal (BNR) by the activated sludge models (ASM) 1, 2d and 3 comparing the performance of a nitrogen removal (WWTP1) and a combined nitrogen and phosphorus removal (WWTP2) treatment plant configuration under different anaerobic/anoxic/aerobic conditions. The same framework is implemented in the Benchmark Simulation Model No. 2 (BSM2) version of the Anaerobic Digestion Model No. 1 (ADM1) (WWTP3) as well, predicting pH values at different cationic/anionic loads. In this way, the general applicability/flexibility of the proposed approach is demonstrated, by implementing the aqueous phase chemistry module in some

Speciation of organotin compounds by capillary electrophoresis: comparison of aqueous and mixed organic-aqueous systems

Energy Technology Data Exchange (ETDEWEB)

Guo, Lei; Matysik, Frank-Michael; Glaeser, Petra [Universitaet Leipzig, Institut fuer Analytische Chemie, Leipzig (Germany)

2004-10-01

A capillary electrophoresis method with direct ultraviolet detection was developed for the analysis of organotin species. Despite the fact that direct detection of organotin compounds by ultraviolet absorption is difficult because most organotins possess poor chromophoric properties, the application of low wavelength ({lambda}=200 nm) and mixed organic-aqueous media enabled a significant enhancement in sensitivity. A mixed organic-aqueous system (10% methanol/40% acetonitrile/50% H{sub 2}O) containing acetic acid and tetrabutylammonium perchlorate formed the basis for rapid, efficient and sensitive determinations of organotin cations such as tripropyltin, tributyltin, triphenyltin and diphenyltin. The concentration limits of detection (LOD) for the four organotin compounds were in the range of 0.4-14 {mu}M, comparable to that obtained with the most sensitive indirect UV method reported until now, and took advantage of a stable baseline, a symmetric peak shape and an absence of disturbing system peaks. The relative standard deviations (n=7) for the relative peak time and peak area were 0.44-0.77 and 4.8-5.8%, respectively. In addition to sensitivity enhancements, the use of organic-aqueous systems instead of pure aqueous media resulted in improved selectivity and efficiency of separations. (orig.)

Effects of Aqueous Extracts of Copaifera langsdorffii (Fabaceae) on the Growth and Reproduction of Spodoptera frugiperda (J. E. Smith) (Lepidoptera: Noctuidae).

Science.gov (United States)

Sâmia, R R; de Oliveira, R L; Moscardini, V F; Carvalho, G A

2016-10-01

Spodoptera frugiperda (J. E. Smith) (Lepidoptera: Noctuidae) is considered a pest of maize crops throughout the Western Hemisphere. We report on the effects of aqueous extracts of leaves and bark of Copaifera langsdorffii (Fabaceae) on the biology of S. frugiperda, as an alternative source of natural bioactive molecules for the sustainable management of this pest. Second instars were sprayed with aqueous extracts prepared with 5% (w/v) plant material and/or fed on an artificial diet containing extracts at a concentration equivalent to 0.25% (w/v) for 17 days. Both leaf and bark extracts of C. langsdorffii significantly reduced S. frugiperda food intake, feces, and larval weight and caused a delay in larval development. Additionally, C. langsdorffii-based extracts increased the oviposition period; induced morphological changes in the eggs, including deformation of the corium and malformation of the micropylar and aeropylar regions; and reduced egg viability. But, aqueous extracts of C. langsdorffii exhibited no negative effects on larval and pupal survival, duration of the pupal stage, survival of pupae, sex ratio, longevity, duration of pre-oviposition period, and female fecundity. Aqueous extracts of leaves and bark of C. langsdorffii are promising alternatives for the control of S. frugiperda in maize crops.

Aqueous colloidal processing of fluorapatite bodies

International Nuclear Information System (INIS)

Albano, Maria P.; Garrido, Liliana B.

2011-01-01

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_4PA) 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_4PA markedly reduced the Ca"+"+/ H"+ 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)

Ion clustering in aqueous salt solutions near the liquid/vapor interface

Directory of Open Access Journals (Sweden)

J.D. Smith

2016-03-01

Full Text Available Molecular dynamics simulations of aqueous NaCl, KCl, NaI, and KI solutions are used to study the effects of salts on the properties of the liquid/vapor interface. The simulations use the models which include both charge transfer and polarization effects. Pairing and the formation of larger ion clusters occurs both in the bulk and surface region, with a decreased tendency to form larger clusters near the interface. An analysis of the roughness of the surface reveals that the chloride salts, which have less tendency to be near the surface, have a roughness that is less than pure water, while the iodide salts, which have a greater surface affinity, have a larger roughness. This suggests that ions away from the surface and ions near the surface affect the interface in opposite ways.

Removal of rhodamine B (a basic dye) and thoron (an acidic dye) from dilute aqueous solutions and wastewater simulants by ion flotation.

Science.gov (United States)

Shakir, Kamal; Elkafrawy, Ahmed Faouzy; Ghoneimy, Hussein Fouad; Elrab Beheir, Shokry Gad; Refaat, Mamdoh

2010-03-01

The present work deals with removal, by ion flotation, of two dyes: a basic dye (rhodamine B (RB)) and an acidic one (thoron (TH)) from dilute aqueous solutions and simulated wastewaters. These dyes are widely used for analytical and biological staining purposes. Besides, RB is commonly used in dyeing of various industrial products. Therefore, wastewaters emanating from chemical and radiochemical laboratories, and biomedical and biological research laboratories may be contaminated with RB and TH. Ion flotation of these dyes has been investigated over a wide range of pH using the anionic surfactant, sodium lauryl sulfate (NaLS) and the cationic surfactant, cetyltrimethylammonium bromide (CTAB) as collectors. Successful removals could be achieved for RB and TH with the anionic collector, NaLS, and the cationic collector, CTAB, respectively. In addition to the effects of pH and type of collector on the efficiency of removal of each dye, the effects of collector and dye concentrations, frother dosage, ionic strength, bubbling time period and presence of foreign salts were investigated and the optimal removal conditions have been established. Removals exceeding 99.5 % and 99.9% could be achieved for RB and TH, respectively. The results obtained are discussed with respect to dissociation of dye, type of collector, ionic strength and sign and magnitude of charge of added foreign ions. Kinetics of flotation were also studied. Further studies demonstrate that under optimum conditions the developed flotation processes can be applied for the treatment of dye-contaminated wastewaters simulated to those generated at dyeing industries and radiochemical laboratories. Copyright 2009 Elsevier Ltd. All rights reserved.

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

2011-01-01

In order to model and predict ammonia emissions from animal houses, it is important to determine the concentration on the emission surface correctly. In the current literature, Henry’s law is usually used to model the mass transfer through the gas–liquid surface (e.g. manure or aqueous solution)....

The IUPAC aqueous and non-aqueous experimental pKa data repositories of organic acids and bases.

Science.gov (United States)

Slater, Anthony Michael

2014-10-01

Accurate and well-curated experimental pKa data of organic acids and bases in both aqueous and non-aqueous media are invaluable in many areas of chemical research, including pharmaceutical, agrochemical, specialty chemical and property prediction research. In pharmaceutical research, pKa data are relevant in ligand design, protein binding, absorption, distribution, metabolism, elimination as well as solubility and dissolution rate. The pKa data compilations of the International Union of Pure and Applied Chemistry, originally in book form, have been carefully converted into computer-readable form, with value being added in the process, in the form of ionisation assignments and tautomer enumeration. These compilations offer a broad range of chemistry in both aqueous and non-aqueous media and the experimental conditions and original reference for all pKa determinations are supplied. The statistics for these compilations are presented and the utility of the computer-readable form of these compilations is examined in comparison to other pKa compilations. Finally, information is provided about how to access these databases.

High density liquid structure enhancement in glass forming aqueous solution of LiCl

Science.gov (United States)

Camisasca, G.; De Marzio, M.; Rovere, M.; Gallo, P.

2018-06-01

We investigate using molecular dynamics simulations the dynamical and structural properties of LiCl:6H2O aqueous solution upon supercooling. This ionic solution is a glass forming liquid of relevant interest in connection with the study of the anomalies of supercooled water. The LiCl:6H2O solution is easily supercooled and the liquid state can be maintained over a large decreasing temperature range. We performed simulations from ambient to 200 K in order to investigate how the presence of the salt modifies the behavior of supercooled water. The study of the relaxation time of the self-density correlation function shows that the system follows the prediction of the mode coupling theory and behaves like a fragile liquid in all the range explored. The analysis of the changes in the water structure induced by the salt shows that while the salt preserves the water hydrogen bonds in the system, it strongly affects the tetrahedral hydrogen bond network. Following the interpretation of the anomalies of water in terms of a two-state model, the modifications of the oxygen radial distribution function and the angular distribution function of the hydrogen bonds in water indicate that LiCl has the role of enhancing the high density liquid component of water with respect to the low density component. This is in agreement with recent experiments on aqueous ionic solutions.

Removal of Cu (II) ions from aqueous solutions by turmeric powder

International Nuclear Information System (INIS)

Qayoom, A.; Kazmi, S.A.; Rafiq, N.

2009-01-01

Copper is an essential nutrient, but it is toxic at high intake levels. The presence of copper(II) ions causes serious toxicological concerns, it is usually known to deposit in brain, skin, liver, pancreas and myocardium. In this work the ability of turmeric to remove copper (II) ions from aqueous solution was studied. Adsorption of metals ions by turmeric powder may be used as a natural remedy for sequestration of toxic metals which are ingested through daily food intake It was found that adsorption increased with increasing contact time, pH, temperature, adsorbent dose. The equilibrium data were satisfactorily described by Freundlich isotherm model. Adsorption of Cu (II) by turmeric powder was followed by pseudo 2/sub nd/ order kinetics. (author)

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

Science.gov (United States)

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

2016-07-01

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 ( 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 quality similar to PC barrows and gilts.

Chemical and physical change of packing materials for food induced by γ-ray irradiation

International Nuclear Information System (INIS)

Kawamura, Yoko; Sugita, Takiko; Yamada, Takashi

1997-01-01

28 kinds of antioxidants and UV-absorbents of synthetic resin with a kind of addition agent were stable by 30 kGy of irradiation. When polyethylene sheet incorporated with them were irradiated, amounts of many kinds of antioxidants largely decreased. They might be decomposed by reacting with radicals and peroxides in polymer produced by irradiation. Accordingly, they acted effectively to reduce deterioration of polymer. But UV-absorbent was not changed by irradiation. The addition agents of polyethylene sheet were not eluted by pseudo-food aqueous solvent independent on irradiation. However, on pseudo-fatty food solvent, amount of eluate decreased. So that, eluate of antioxidant and UV-absorbent in polyethylene was decreased by γ-ray irradiation which produced good effects on food hygiene. (S.Y.)

Carbon nanotube release from polymers into a food simulant

International Nuclear Information System (INIS)

Xia, Yining; Uysal Unalan, Ilke; Rubino, Maria; Auras, Rafael

2017-01-01

The release assessment of multi-walled carbon nanotubes (CNTs) was performed on two types of polymer-CNT nanocomposites: polypropylene (PP) and polyamide 6 (PA6) containing 3 wt% CNT. Nanocomposite films were prepared and then exposed to ethanol as a fatty-food simulant at 40 °C, and the amount of CNT release into ethanol was determined by ultraviolet-visible spectroscopy (UV-Vis) and graphite furnace atomic absorption spectrometry (GFAAS). The CNTs released into ethanol were visualized by transmission electron microscopy (TEM) and verified by Raman spectroscopy. UV-Vis analysis showed a very small amount of CNT release from the nanocomposite films into ethanol over 60 d: maximum CNT concentrations in ethanol were 1.3 mg/L for the PP-CNT film and 1.2 mg/L for the PA6-CNT film. GFAAS results indicated that the amount of CNTs released into ethanol after 12 d was over 20-fold higher than the results obtained by UV-Vis. Overestimation of CNT release by GFAAS suggested aggregation and poor dispersion of CNTs in the solvent. This assumption was verified by TEM images exhibiting the embedded CNTs in the polymer flakes, which could be poorly dispersed in the solvent. In general, CNT release from the nanocomposite films was considered a surface phenomenon, as indicated by detachment of CNT-containing polymer flakes from the film surface. - Highlights: • Release of CNT from polypropylene and polyamide nanocomposites were quantified and validated with TEM and Raman. • Spectroscopy and silane-labeled CNT were used for tracking the release of CNT. • The release behavior of CNT from nanocomposites was mostly generated from the polymer surfaces.

Study of lanthanide tri-cations in aqueous solution by molecular dynamic

International Nuclear Information System (INIS)

Duvail, M.

2007-11-01

This is essentially a lanthanide tri-cation hydration study by means of classical molecular dynamics (CLMD) simulations using explicit polarization. Explicit polarization is calculated with a Car-Parrinello type of dynamics on induced dipoles, which decreases the CPU time as compared to the self-consistent resolution. Several pair interaction potentials are parametrized from ab initio calculations (MP2) and tested for the La 3+ -OH 2 interaction. The best results are obtained with an exponential-6 Buckingham potential. Next, the La 3+ -OH 2 interaction potential parameters are extrapolated to the other Ln 3+ -OH 2 interactions, only by using the ionic radii. The CLMD results reproduce the reliable experimental data (EXAFS distances), and the sigmoidal variation of the coordination number (with S shape), from 9 for La 3+ to 8 for Lu 3+ . This variation is explained by the linear variation of DrG0 (9,298) vs. atomic number. Insights are also given on the Co 2+ hydration, CPMD simulations, reconstruction of EXAFS signal from MD simulations, and OH - complexation of La 3+ in aqueous solution. (author)

Erbium(III) in aqueous solution: an ab initio molecular dynamics study.

Science.gov (United States)

Canaval, Lorenz R; Sakwarathorn, Theerathad; Rode, Bernd M; Messner, Christoph B; Lutz, Oliver M D; Bonn, Günther K

2013-12-05

Structural and dynamical properties of the erbium(III) ion in water have been obtained by means of ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) simulations for the ground state and an excited state. The quality of the simulations has been monitored by recording UV/vis and Raman spectra of dilute solutions of ErCl3 and Er(NO3)3 in water and by comparison with EXAFS data from literature. Slight deviations between these data can be mainly attributed to relativistic effects, which are not sufficiently considered by the methodological framework. In both simulations, a mixture of coordination numbers eight and nine and a ligand exchange on the picosecond range are observed. The strength of the Er-ligand bond is considerably lower than that of trivalent transition metal ions but higher than that for La(III) and Ce(III) in aqueous solution. The main difference between ground state and excited state is the ligand exchange rate of the first shell. The second hydration shell is stable in both cases but with significantly different properties.

27 CFR 21.96 - Ammonia, aqueous.

Science.gov (United States)

2010-04-01

... 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 by...

In vitro study on the composition and antibacterial effects of aqueous and methanol extracts of on some of food-borne pathogens

Directory of Open Access Journals (Sweden)

A. Barati

2016-08-01

Full Text Available Scrophularia khorassanica belongs to the Scrophulariaceae family that geographically grows wild only in Iran-Khorasan. There is insufficient information about its composition and antibacterial activity. Due to the application of S. khorassanica and related species in traditional medicine, the aim of this study was to determine antimicrobial effect of S. khorassanica aqueous and methanolic extracts on the growth of Escherichia coli and Staphylococcus aureus and also to determine the composition of the essential oil in-vitro. Extracts and the essential oil were prepared respectively by maceration and hydro-distillation methods. The composition of the essential oil examined by GC/MS and the minimum inhibitory concentration (MIC and minimum bactericidal concentration (MBC determined by broth micro-dilution assay. Composition analysis identified a total of 28 various components in which the main components were 1,3-Bis (trimethylsilyl, benzene (34.93%, р-Cymene (12.55%, Palmitic acid (6.79, Thymol (6.22%, Linalool (4.59%, 2-undecanone(4.35%, Sorbitol(1.87%, Carvacrol (1.74%, γ-Terpinene (1.06%, β -Elemene (1.03% and α-Pinene (0.3%. The MIC for methanolic extract against E. coli and S. aureus was 12.5 and 25 mg/ml, respectively. In the case of aqueous extract, it was estimated at 6.25 and 12.5 mg/ml, respectively. Based on these results, the aqueous extract had the strongest antibacterial effect. It was concluded that Scrophularia khorassanica extract can be used as an natural preservative.

Towards a Food Safety Knowledge Base Applicable in Crisis Situations and Beyond.

Science.gov (United States)

Falenski, Alexander; Weiser, Armin A; Thöns, Christian; Appel, Bernd; Käsbohrer, Annemarie; Filter, Matthias

2015-01-01

In case of contamination in the food chain, fast action is required in order to reduce the numbers of affected people. In such situations, being able to predict the fate of agents in foods would help risk assessors and decision makers in assessing the potential effects of a specific contamination event and thus enable them to deduce the appropriate mitigation measures. One efficient strategy supporting this is using model based simulations. However, application in crisis situations requires ready-to-use and easy-to-adapt models to be available from the so-called food safety knowledge bases. Here, we illustrate this concept and its benefits by applying the modular open source software tools PMM-Lab and FoodProcess-Lab. As a fictitious sample scenario, an intentional ricin contamination at a beef salami production facility was modelled. Predictive models describing the inactivation of ricin were reviewed, relevant models were implemented with PMM-Lab, and simulations on residual toxin amounts in the final product were performed with FoodProcess-Lab. Due to the generic and modular modelling concept implemented in these tools, they can be applied to simulate virtually any food safety contamination scenario. Apart from the application in crisis situations, the food safety knowledge base concept will also be useful in food quality and safety investigations.

Analysis of nine food additives in red wine by ion-suppression reversed-phase high-performance liquid chromatography using trifluoroacetic acid and ammonium acetate as ion-suppressors.

Science.gov (United States)

Zhao, Yong-Gang; Chen, Xiao-Hong; Yao, Shan-Shan; Pan, Sheng-Dong; Li, Xiao-Ping; Jin, Mi-Cong

2012-01-01

A reversed-phase high-performance liquid chromatography (RP-HPLC) method was developed for the simultaneous determination of nine food additives, i.e., acesulfame, saccharin, caffeine, aspartame, benzoic acid, sorbic acid, stevioside, dehydroacetic acid and neotame in red wine. The effects of ion-suppressors, i.e., trifluoroacetic acid (TFA) and ammonium acetate (AmAc) on retention behavior of nine food additives in RP-HPLC separation were discussed in detail. The relationships between retention factors of solutes and volume percent of ion-suppressors in the mobile-phase systems of acetonitrile-TFA aqueous solution and acetonitrile-TFA-AmAc aqueous solution were quantitatively established, respectively. The results showed that the ion suppressors had not only an ion suppression effect, but also an organic modification effect on the acidic analytes. The baseline separation of nine food additives was completed by a gradient elution with acetonitrile-TFA(0.01%, v/v)-AmAc(2.5 mmol L(-1)) aqueous solution as the mobile phase. The recoveries were between 80.2 - 99.5% for all analytes with RSDs in the range of 1.5 - 8.9%. The linearities were in the range of 0.2 - 100.0 mg L(-1) with determination coefficients (r(2)) higher than 0.9991 for all analytes. The limits of quantification (LOQs) were between 0.53 - 0.99 mg L(-1). The applicability of the proposed method to detect and quantify food additives has been demonstrated in the analysis of 30 real samples.

Aqueous foam toxicology evaluation and hazard review

Energy Technology Data Exchange (ETDEWEB)

Archuleta, M.M.

1995-10-01

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.

Food protein-based phytosterol nanoparticles: fabrication and characterization.

Science.gov (United States)

Cao, Wen-Jun; Ou, Shi-Yi; Lin, Wei-Feng; Tang, Chuan-He

2016-09-14

The development of food-grade (nano)particles as a delivery system for poorly water soluble bioactives has recently attracted increasing attention. This work is an attempt to fabricate food protein-based nanoparticles as delivery systems for improving the water dispersion and bioaccessibility of phytosterols (PS) by an emulsification-evaporation method. The fabricated PS nanoparticles were characterized in terms of particle size, encapsulation efficiency (EE%) and loading amount (LA), and ξ-potential. Among all the test proteins, including soy protein isolate (SPI), whey protein concentrate (WPC) and sodium caseinate (SC), SC was confirmed to be the most suitable protein for the PS nano-formulation. Besides the type of protein, the particle size, EE% and LA of PS in the nanoparticles varied with the applied protein concentration in the aqueous phase and organic volume fraction. The freeze-dried PS nanoparticles with SC exhibited good water re-dispersion behavior and low crystallinity of PS. The LA of PS in the nanoparticles decreased upon storage, especially at high temperatures (e.g., >25 °C). The PS in the fabricated nanoparticles exhibited much better bioaccessibility than free PS. The findings would be of relevance for the fabrication of food-grade colloidal phytosterols, with great potential to be applied in functional food formulations.

Enhancing Student Learning in Food Engineering Using Computational Fluid Dynamics Simulations

Science.gov (United States)

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

2010-01-01

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…

In Vitro Evaluation of the Antibiogramic Activities of the Seeds of Myristica fragrans on Food Borne Pathogens

Directory of Open Access Journals (Sweden)

Emefo, O. T.

2012-01-01

Full Text Available Aims: Foodborne diseases have been shown to have direct impact on the health and welfare of a large number of the world population. The in vitro antibiogramic properties of natural spices (Myristica fragrans on common food borne pathogen became necessary both in improving food safety and development of new drugs. Methodology and Results: Test isolates (Staphylococcus aureus, S. epidermidis, Klebsiella pneumoniae, Bacillus cereus, Escherichia coli, Salmonella typhi and Pseudomonas aeruginosa were collected from the culture collection unit of the department of Microbiology, Benson Idahosa University, Nigeria. Seeds of M. fragrans were extracted by soxhlet extractor using ethanol and water, while the oil was obtained by steam distillation. The extracts and oil were tested against the bacterial isolates using agar well diffusion method at varying concentration (12.5, 25, 50 and 100 mg/mL. The oil of M. fragrans was found to have the highest antibiogramic activity on the selected isolates, followed by its ethanolic extract with zones of inhibition ranging from 0-24 mm and 0-16 mm respectively. The aqueous extract of M. fragrans was found to be effective against E. coli, P. aeruginosa and S. epidermidis only at 100 mg/mL. The MIC was also higher in oil extract of M. fragrans compared to its ethanolic and aqueous extracts. Conclusion, Significance and Impact of study: The oil and aqueous extract of M. fragrans showed antibiogramic properties against the bacterial isolates used at different concentrations. Thus, its oil can be used as an alternative to synthetic food preservative found to harbor toxic effects and could also serve as sources for development of new antibiotics.

Comparison of two electrolyte models for the carbon capture with aqueous ammonia

DEFF Research Database (Denmark)

Darde, Victor; Thomsen, Kaj; van Well, Willy J.M.

2012-01-01

Post-combustion carbon capture is attracting much attention due to the fact that it can be retrofitted on existing coal power plants. Among the most interesting technologies is the one that employs aqueous ammonia solutions to absorb the generated carbon dioxide. The evaluation of such process.......2). Subsequently, a simple absorption/regeneration layout is simulated employing both models and the process performances are compared. In general, the Extended UNIQUAC appears to describe the experimental data for larger ranges of temperature, pressure and concentration of ammonia more satisfactorily. The energy...

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.

2012-01-01

and Cl-/Na+ counterions, respectively. The radial distribution functions show that the side chains and terminal groups show significant flexibility. The orientation of water is distinct in the first solvation shell, and AuNPs cause a long-range effect in the solvent structure. The radial electrostatic...... 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...... in aqueous solutions. They suggest that electrostatics is one of the central factors in complexation of AuNPs with other nanomaterials and biological systems, and that effects of electrostatics as water-mediated interactions are relatively long-ranged, which likely plays a role in, e.g., the interplay...

Violent flows in aqueous foams III: physical multi-phase model comparison with aqueous foam shock tube experiments

Science.gov (United States)

Redford, J. A.; Ghidaglia, J.-M.; Faure, S.

2018-06-01

Mitigation of blast waves in aqueous foams is a problem that has a strong dependence on multi-phase effects. Here, a simplified model is developed from the previous articles treating violent flows (D'Alesio et al. in Eur J Mech B Fluids 54:105-124, 2015; Faure and Ghidaglia in Eur J Mech B Fluids 30:341-359, 2011) to capture the essential phenomena. The key is to have two fluids with separate velocities to represent the liquid and gas phases. This allows for the interaction between the two phases, which may include terms for drag, heat transfer, mass transfer due to phase change, added mass effects, to be included explicitly in the model. A good test for the proposed model is provided by two experimental data sets that use a specially designed shock tube. The first experiment has a test section filled with spray droplets, and the second has a range of aqueous foams in the test section. A substantial attenuation of the shock wave is seen in both cases, but a large difference is observed in the sound speeds. The droplets cause no observable change from the air sound speed, while the foams have a reduced sound speed of approximately 50-75 m/s . In the model given here, an added mass term is introduced in the governing equations to capture the low sound speed. The match between simulation and experiment is found to be satisfactory for both droplets and the foam. This is especially good when considering the complexity of the physics and the effects that are unaccounted for, such as three-dimensionality and droplet atomisation. The resulting statistics illuminate the processes occurring in such flows.

Can A Food Retailer-Based Healthier Foods Initiative Improve The Nutrient Profile Of US Packaged Food Purchases? A Case Study Of Walmart, 2000-2013

Science.gov (United States)

Smith, Lindsey; Ng, Shu Wen; Popkin, Barry M.

2015-01-01

Healthier foods initiatives (HFIs) by national food retailers offer an opportunity to improve the nutritional profile of packaged food purchases (PFPS). Using a longitudinal dataset of US household PFPs, with methods to account for selectivity of shopping at a specific retailer, we modeled the effect of Walmart’s HFI using counterfactual simulations to examine observed vs. expected changes in the nutritional profile of Walmart PFPs. From 2000 to 2013, Walmart PFPs showed major declines in energy, sodium, and sugar density, as well as declines in sugary beverages, grain-based desserts, snacks, and candy, beyond trends at similar retailers. However, post-HFI declines were similar to what we expected based on pre-HFI trends, suggesting that these changes were not attributable to Walmart’s HFI. These results suggest that food retailer-based HFIs may not be sufficient to improve the nutritional profile of food purchases. PMID:26526244

The structure and diffusion behaviour of the neurotransmitter γ-aminobutyric acid (GABA) in neutral aqueous solutions

International Nuclear Information System (INIS)

Rodrigo, M.M.; Esteso, M.A.; Barros, M.F.; Verissimo, L.M.P.; Romero, C.M.; Suarez, A.F.; Ramos, M.L.; Valente, A.J.M.; Burrows, H.D.; Ribeiro, A.C.F.

2017-01-01

Highlights: • Diffusion coefficients and densities of binary aqueous solutions of γ-aminobutyric acid (GABA). • Dependence on both shape and size of GABA on its diffusion. • Interactions intramolecular and the solute-water interactions in these systems. - Abstract: GABA (γ-aminobutyric acid) is a non-protein amino acid with important physiological properties, and with considerable relevance to the food and pharmaceutical industries. Particular interest has focused on its role as an inhibitory neurotransmitter in the mammalian cerebral cortex. In this paper, we report density and mutual diffusion coefficients of GABA in non-buffered aqueous solutions (0.001–0.100) mol·dm −3 at 298.15 K. Under these conditions, 1 H and 13 C NMR spectroscopy and pH measurements show that it is present predominantly as a monomeric zwitterionic species. Diffusion coefficients have been computed assuming that this behaves as the binary system GABA/water. From density and intermolecular diffusion coefficients measurements, the molar volume, hydrodynamic radii, R h , diffusion coefficients at infinitesimal concentration, D 0 , activity coefficients and the thermodynamic factors, F T , have been estimated. Within experimental error, the hydrodynamic volume calculated from this is identical to the molar volume obtained from density measurements. From the NMR spectra and literature data, it is suggested that this amino acid diffuses in aqueous solution as a curved, coil-like hydrated zwitterionic entity.

Multiscale simulation of molecular processes in cellular environments.

Science.gov (United States)

Chiricotto, Mara; Sterpone, Fabio; Derreumaux, Philippe; Melchionna, Simone

2016-11-13

We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of forces resulting in a stable and accurate methodology allowing biosystems of unprecedented size to be simulated.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

investigations on the use of surfactants for the separation of some organics and metal ions from aqueous media

International Nuclear Information System (INIS)

Mahmoud, M.R.

2007-01-01

the copreceipitate flotation of 137 Cs from dilute aqueous solutions and simulated radioactive wastes using nickel hexacyanoferrate(11) as a co precipitant and sodium lauryl sulfate, cetyltrimethylammonium bromide,or dodecyl amine as a collect or was extensively investigated to establish the best conditions for cesium removal. under the optimal conditions, removals exceeding 99% and decontamination factors higher than 110 could be achieved for the radioactive waste simulant. the results are compared with those obtained by conventional removal methods and are discussed in terms of the collector properties and the electrical state of the co precipitate

An aqueous physical and mathematical modelling of ultrasonic degassing of molten metals

International Nuclear Information System (INIS)

Meidani, A.R.N.; Hasan, M.

1999-01-01

A comprehensive mathematical model, combined with an aqueous physical modelling, have been developed to simulate the ultrasonic degassing of a gassy liquid. The mathematical model forms a set of coupled, highly nonlinear and stiff differential equations. Therefore, the modified Gear method, which is a good numerical scheme for solving extremely fast moving boundary problems is applied. The threshold pressure and the effects of ultrasonic specifications on rectified diffusion of the dissolved air in water with different initial concentrations are studied. The results show that the air bubble grows when the ultrasonic pressure amplitude is more than the threshold pressure. In this case, the bubble volume reaches several times of its initial value in a fraction of second and the gas bubble may float to the surface due to the buoyancy force. A parametric study on the present model is carried out. The results of aqueous physical modelling for bubble growth are compared to the results of the mathematical model which show a reasonable agreement between the experiments and the predictions. (author)

Cross dimerization of amyloid-β and αsynuclein proteins in aqueous environment: a molecular dynamics simulations study.

Directory of Open Access Journals (Sweden)

Jaya C Jose

Full Text Available Self-assembly of the intrinsically unstructured proteins, amyloid beta (Aβ and alpha synclein (αSyn, are associated with Alzheimer's Disease, and Parkinson's and Lewy Body Diseases, respectively. Importantly, pathological overlaps between these neurodegenerative diseases, and the possibilities of interactions between Aβ and αSyn in biological milieu emerge from several recent clinical reports and in vitro studies. Nevertheless, there are very few molecular level studies that have probed the nature of spontaneous interactions between these two sequentially dissimilar proteins and key characteristics of the resulting cross complexes. In this study, we have used atomistic molecular dynamics simulations to probe the possibility of cross dimerization between αSyn1-95 and Aβ1-42, and thereby gain insights into their plausible early assembly pathways in aqueous environment. Our analyses indicate a strong probability of association between the two sequences, with inter-protein attractive electrostatic interactions playing dominant roles. Principal component analysis revealed significant heterogeneity in the strength and nature of the associations in the key interaction modes. In most, the interactions of repeating Lys residues, mainly in the imperfect repeats 'KTKEGV' present in αSyn1-95 were found to be essential for cross interactions and formation of inter-protein salt bridges. Additionally, a hydrophobicity driven interaction mode devoid of salt bridges, where the non-amyloid component (NAC region of αSyn1-95 came in contact with the hydrophobic core of Aβ1-42 was observed. The existence of such hetero complexes, and therefore hetero assembly pathways may lead to polymorphic aggregates with variations in pathological attributes. Our results provide a perspective on development of therapeutic strategies for preventing pathogenic interactions between these proteins.

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

Directory of Open Access Journals (Sweden)

C. Mouchel-Vallon

2013-01-01

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

Inverse hydrochemical models of aqueous extracts tests

Energy Technology Data Exchange (ETDEWEB)

Zheng, L.; Samper, J.; Montenegro, L.

2008-10-10

Aqueous extract test is a laboratory technique commonly used to measure the amount of soluble salts of a soil sample after adding a known mass of distilled water. Measured aqueous extract data have to be re-interpreted in order to infer porewater chemical composition of the sample because porewater chemistry changes significantly due to dilution and chemical reactions which take place during extraction. Here we present an inverse hydrochemical model to estimate porewater chemical composition from measured water content, aqueous extract, and mineralogical data. The model accounts for acid-base, redox, aqueous complexation, mineral dissolution/precipitation, gas dissolution/ex-solution, cation exchange and surface complexation reactions, of which are assumed to take place at local equilibrium. It has been solved with INVERSE-CORE{sup 2D} and been tested with bentonite samples taken from FEBEX (Full-scale Engineered Barrier EXperiment) in situ test. The inverse model reproduces most of the measured aqueous data except bicarbonate and provides an effective, flexible and comprehensive method to estimate porewater chemical composition of clays. Main uncertainties are related to kinetic calcite dissolution and variations in CO2(g) pressure.

Effects of simulant mixed waste on EPDM and butyl rubber

International Nuclear Information System (INIS)

Nigrey, P.J.; Dickens, T.G.

1998-01-01

We have developed a Chemical Compatibility Testing Program for the evaluation of plastic packaging components which may be used in transporting mixed waste forms. In this program, we have screened 10 plastic materials in four liquid mixed waste simulants. These plastics were butadiene-acrylonitrile copolymer (Nitrile) rubber, cross-linked polyethylene, epi-chloro-hydrin rubber, ethylene-propylene (EPDM) rubber, fluorocarbons (Viton and Kel-F), poly-tetrafluoroethylene (Teflon), high-density polyethylene, isobutylene-isoprene copolymer (Butyl) rubber, polypropylene, and styrene-butadiene (SBR) rubber. The selected simulant mixed wastes were (1) an aqueous alkaline mixture of sodium nitrate and sodium nitrite; (2) a chlorinated hydrocarbon mixture; (3) a simulant liquid scintillation fluid; and (4) a mixture of ketones. The screening testing protocol involved exposing the respective materials to ∼3 kGy of gamma radiation followed by 14-day exposures to the waste simulants at 60 deg. C. The rubber materials or elastomers were tested using VTR measurements while the liner materials were tested using specific gravity as a metric. For these tests, screening criteria of ∼1 g/hr/m 2 for VTR and specific gravity change of 10% were used. Those materials that failed to meet these criteria were judged to have failed the screening tests and were excluded from the next phase of this experimental program. We have completed the comprehensive testing phase of liner materials in a simulant Hanford Tank waste consisting of an aqueous alkaline mixture of sodium nitrate and sodium nitrite. From the data analyses performed, we have identified the chloro-fluorocarbon Kel-F as having the greatest chemical durability after having been exposed to gamma radiation followed by exposure to the aqueous alkaline simulant mixed waste. The most striking observation from this study was the extremely poor performance of Teflon under these conditions. We have also completed the comprehensive

On the vibrational behavior of single- and double-walled carbon nanotubes under the physical adsorption of biomolecules in the aqueous environment: a molecular dynamics study.

Science.gov (United States)

Ajori, S; Ansari, R; Darvizeh, M

2016-03-01

The adsorption of biomolecules on the walls of carbon nanotubes (CNTs) in an aqueous environment is of great importance in the field of nanobiotechnology. In this study, molecular dynamics (MD) simulations were performed to understand the mechanical vibrational behavior of single- and double-walled carbon nanotubes (SWCNTs and DWCNTs) under the physical adsorption of four important biomolecules (L-alanine, guanine, thymine, and uracil) in vacuum and an aqueous environment. It was observed that the natural frequencies of these CNTs in vacuum reduce under the physical adsorption of biomolecules. In the aqueous environment, the natural frequency of each pure CNT decreased as compared to its natural frequency in vacuum. It was also found that the frequency shift for functionalized CNTs as compared to pure CNTs in the aqueous environment was dependent on the radius and the number of walls of the CNT, and could be positive or negative.

Photochemical degradation of the carbapenem antibiotics imipenem and meropenem in aqueous solutions under solar radiation.

Science.gov (United States)

Reina, Alejandro Cabrera; Martínez-Piernas, Ana B; Bertakis, Yannis; Brebou, Christina; Xekoukoulotakis, Nikolaos P; Agüera, Ana; Sánchez Pérez, José Antonio

2018-01-01

This paper deals with the photochemical fate of two representative carbapenem antibiotics, namely imipenem and meropenem, in aqueous solutions under solar radiation. The analytical method employed for the determination of the target compounds in various aqueous matrices, such as ultrapure water, municipal wastewater treatment plant effluents, and river water, at environmentally relevant concentrations, was liquid chromatography coupled with hybrid triple quadrupole-linear ion trap-mass spectrometry. The absorption spectra of both compounds were measured in aqueous solutions at pH values from 6 to 8, and both compounds showed a rather strong absorption band centered at about 300 nm, while their molar absorption coefficient was in the order from 9 × 10 3 -10 4  L mol -1  cm -1 . The kinetics of the photochemical degradation of the target compounds was studied in aqueous solutions under natural solar radiation in a solar reactor with compound parabolic collectors. It was found that the photochemical degradation of both compounds at environmentally relevant concentrations follows first order kinetics and the quantum yield was in the order of 10 -3  mol einsten -1 . Several parameters were studied, such as solution pH, the presence of nitrate ions and humic acids, and the effect of water matrix. In all cases, it was found that the presence of various organic and inorganic constituents in the aqueous matrices do not contribute significantly, either positively or negatively, to the photochemical degradation of both compounds under natural solar radiation. In a final set of photolysis experiments, the effect of the level of irradiance was studied under simulated solar radiation and it was found that the quantum yield for the direct photodegradation of both compounds remained practically constant by changing the incident solar irradiance from 28 to 50 W m -2 . Copyright © 2017 Elsevier Ltd. All rights reserved.

Reserves and Trade Jointly Determine Exposure to Food Supply Shocks

Science.gov (United States)

Marchand, Philippe; Carr, Joel A.; Dell'Angelo, Jampel; Fader, Marianela; Gephart, Jessica A.; Kummu, Matti; Magliocca, Nicholas; Porkka, Miina; Puma, Michael J.; Zak, Ratajczak

2016-01-01

While a growing proportion of global food consumption is obtained through international trade, there is an ongoing debate on whether this increased reliance on trade benefits or hinders food security, and specifically, the ability of global food systems to absorb shocks due to local or regional losses of production. This paper introduces a model that simulates the short-term response to a food supply shock originating in a single country, which is partly absorbed through decreases in domestic reserves and consumption, and partly transmitted through the adjustment of trade flows. By applying the model to publicly-available data for the cereals commodity group over a 17 year period, we find that differential outcomes of supply shocks simulated through this time period are driven not only by the intensification of trade, but as importantly by changes in the distribution of reserves. Our analysis also identifies countries where trade dependency may accentuate the risk of food shortages from foreign production shocks; such risk could be reduced by increasing domestic reserves or importing food from a diversity of suppliers that possess their own reserves. This simulation-based model provides a framework to study the short-term, nonlinear and out-of-equilibrium response of trade networks to supply shocks, and could be applied to specific scenarios of environmental or economic perturbations.

Aqueous media treatment and decontamination of hazardous chemical and biological substances by contact plasma

International Nuclear Information System (INIS)

Pivovarov, A.; Kravchenko, A.; Kublanovsky, V.

2009-01-01

Usage of non-equilibrium contact plasma for processes of decontamination and neutralization in conditions of manifestation of chemical, biological and radiation terrorism takes on special significance due to portability of equipment and its mobility in places where toxic liquid media hazardous for people's health are located. Processes of decontamination of aqueous media, seminated with pathogenic microorganisms and viruses, treatment of water containing toxic heavy metals, cyanides, surface-active substances, and heavy radioactive elements, are investigated. Examples of activation processes in infected water and toxic aqueous solutions present convincing evidence of the way, how new quality technological approach for achievement of high enough degree of the said media treatment is used in each specific case. Among new properties of water activated as a result of action of non-equilibrium contact plasma, it is necessary to mention presence of cluster structure, confirmed by well-known spectral and physical-chemical methods, presence of peroxide compounds, active particles and radicals. Anti-microbial activity which is displayed under action of plasma in aqueous media (chemically pure water, drinking water, aqueous solutions of sodium chloride, potassium iodide, as well as other inorganic compounds) towards wide range of pathogenic and conventionally pathogenic microorganisms allows use them as reliable, accessible and low-cost preparations for increasing the degree of safety of food products. Combination of such processes with known methods of filtration and ultra-filtration gives an efficient and available complex capable of withstanding any threats, which may arise for population and living organisms. Present-day level of machine-building, electrical engineering, and electronics allows predict creation of industrial plasma installations, adapted to conditions of various terrorist threats, with minimized power consumption and optimized technological parameters

Aqueous media treatment and decontamination of hazardous chemical and biological substances by contact plasma

Energy Technology Data Exchange (ETDEWEB)

Pivovarov, A; Kravchenko, A [Ukrainian State University of Chemical Engineering, Dnepropetrovsk (Ukraine); Kublanovsky, V [V. I. Vernadsky Institute of General and Inorganic Chemistry of National Academy of Science, Kiev (Ukraine)

2009-07-01

Usage of non-equilibrium contact plasma for processes of decontamination and neutralization in conditions of manifestation of chemical, biological and radiation terrorism takes on special significance due to portability of equipment and its mobility in places where toxic liquid media hazardous for people's health are located. Processes of decontamination of aqueous media, seminated with pathogenic microorganisms and viruses, treatment of water containing toxic heavy metals, cyanides, surface-active substances, and heavy radioactive elements, are investigated. Examples of activation processes in infected water and toxic aqueous solutions present convincing evidence of the way, how new quality technological approach for achievement of high enough degree of the said media treatment is used in each specific case. Among new properties of water activated as a result of action of non-equilibrium contact plasma, it is necessary to mention presence of cluster structure, confirmed by well-known spectral and physical-chemical methods, presence of peroxide compounds, active particles and radicals. Anti-microbial activity which is displayed under action of plasma in aqueous media (chemically pure water, drinking water, aqueous solutions of sodium chloride, potassium iodide, as well as other inorganic compounds) towards wide range of pathogenic and conventionally pathogenic microorganisms allows use them as reliable, accessible and low-cost preparations for increasing the degree of safety of food products. Combination of such processes with known methods of filtration and ultra-filtration gives an efficient and available complex capable of withstanding any threats, which may arise for population and living organisms. Present-day level of machine-building, electrical engineering, and electronics allows predict creation of industrial plasma installations, adapted to conditions of various terrorist threats, with minimized power consumption and optimized technological parameters

Colonial vs planktonic type of growth: mathematical modeling of microbial dynamics on surfaces and in liquid, semi-liquid and solid foods

Directory of Open Access Journals (Sweden)

Panagiotis N. Skandamis

2015-10-01

Full Text Available Predictive models are mathematical expressions that describe the growth, survival, inactivation or biochemical processes of foodborne bacteria. During processing of contaminated raw materials and food preparation, bacteria are entrapped into the food residues, potentially transferred to the equipment surfaces (abiotic or inert surfaces or cross-contaminate other foods (biotic surfaces. Growth of bacterial cells can either occur planktonically in liquid or immobilized as colonies. Colonies are on the surface or confined in the interior (submerged colonies of structured foods. For low initial levels of bacterial population leading to large colonies, the immobilized growth differs from planktonic growth due to physical constrains and to diffusion limitations within the structured foods. Indeed, cells in colonies experience substrate starvation and/or stresses from the accumulation of toxic metabolites such as lactic acid. Furthermore, the micro-architecture of foods also influences the rate and extent of growth. The micro-architecture is determined by (i the non-aqueous phase with the distribution and size of oil particles and the pore size of the network when proteins or gelling agent are solidified, and by (ii the available aqueous phase within which bacteria may swarm or swim. As a consequence, the micro-environment of bacterial cells when they grow in colonies might greatly differs from that when they grow planktonically. The broth-based data used for modeling (lag time and generation time, the growth rate and population level are poorly transferable to solid foods. It may lead to an over-estimation or under-estimation of the predicted population compared to the observed population in food. If the growth prediction concerns pathogen bacteria, it is a major importance for the safety of foods to improve the knowledge on immobilized growth. In this review, the different types of models are presented taking into account the stochastic behavior of

Extraction of technetium from simulated Hanford tank wastes

International Nuclear Information System (INIS)

Chaiko, D.J.; Vojta, Y.; Takeuchi, M.

1993-01-01

Aqueous biphasic separation systems are being developed for the treatment of liquid radioactive wastes. These extraction systems are based on the use of polyethylene glycols (PEGs) for the selective extraction and recovery of long-lived radionuclides, such as 129 I, 75 Se, and 99 Tc, from caustic solutions containing high concentrations of nitrate, nitrite, and carbonate. Because of the high ionic strengths of supernatant liquids in Hanford underground storage tanks, aqueous biphasic systems can be generated by simply adding aqueous PEG solutions directly to the waste solution. In the process, anionic species like I - and TcO 4 - are selectively transferred to the less dense PEG phase. The partition coefficient for a wide range of inorganic cations and anions, such as sodium, potassium, aluminum, nitrate, nitrate, and carbonate, are all less than one. The authors present experimental data on extraction of technetium from several simulated Hanford tank wastes at 25 degree and 50 degree C

Fluid and structure coupling analysis of the interaction between aqueous humor and iris.

Science.gov (United States)

Wang, Wenjia; Qian, Xiuqing; Song, Hongfang; Zhang, Mindi; Liu, Zhicheng

2016-12-28

Glaucoma is the primary cause of irreversible blindness worldwide associated with high intraocular pressure (IOP). Elevated intraocular pressure will affect the normal aqueous humor outflow, resulting in deformation of iris. However, the deformation ability of iris is closely related to its material properties. Meanwhile, the passive deformation of the iris aggravates the pupillary block and angle closure. The nature of the interaction mechanism of iris deformation and aqueous humor fluid flow has not been fully understood and has been somewhat a controversial issue. The purpose here was to study the effect of IOP, localization, and temperature on the flow of the aqueous humor and the deformation of iris interacted by aqueous humor fluid flow. Based on mechanisms of aqueous physiology and fluid dynamics, 3D model of anterior chamber (AC) was constructed with the human anatomical parameters as a reference. A 3D idealized standard geometry of anterior segment of human eye was performed. Enlarge the size of the idealization geometry model 5 times to create a simulation device by using 3D printing technology. In this paper, particle image velocimetry technology is applied to measure the characteristic of fluid outflow in different inlet velocity based on the device. Numerically calculations were made by using ANSYS 14.0 Finite Element Analysis. Compare of the velocity distributions to confirm the validity of the model. The fluid structure interaction (FSI) analysis was carried out in the valid geometry model to study the aqueous flow and iris change. In this paper, the validity of the model is verified through computation and comparison. The results indicated that changes of gravity direction of model significantly affected the fluid dynamics parameters and the temperature distribution in anterior chamber. Increased pressure and the vertical position increase the velocity of the aqueous humor fluid flow, with the value increased of 0.015 and 0.035 mm/s. The results

Thermodynamic properties of aqueous solutions with citrate ions. Compressibility studies in aqueous solutions of citric acid

International Nuclear Information System (INIS)

Apelblat, Alexander; Korin, Eli; Manzurola, Emanuel

2013-01-01

Highlights: • Over a wide range of concentrations and temperatures sound velocities were measured in aqueous solutions of citric acid. • Compressibility properties of citric acid solutions are thermodynamically characterized. • Changes in the structure of water when citric acid is dissolved are discussed. -- Abstract: Sound velocities in aqueous solutions of citric acid were measured from 15 °C to 50 °C in 5 °C intervals, within the 0.1 mol · kg −1 to 5.0 mol · kg −1 concentration range. These sound velocities served to evaluate the isentropic and isothermal compressibilities, the apparent molar compressibilities, the isochoric thermal pressure coefficients, changes of the cubic expansion coefficients with pressure at constant temperature, the changes of heat capacities with volume and hydration numbers of citric acid in aqueous solutions

Timing of food intake during simulated night shift impacts glucose metabolism: A controlled study.

Science.gov (United States)

Grant, Crystal L; Coates, Alison M; Dorrian, Jillian; Kennaway, David J; Wittert, Gary A; Heilbronn, Leonie K; Pajcin, Maja; Della Vedova, Chris; Gupta, Charlotte C; Banks, Siobhan

2017-01-01

Eating during the night may increase the risk for obesity and type 2 diabetes in shift workers. This study examined the impact of either eating or not eating a meal at night on glucose metabolism. Participants underwent four nights of simulated night work (SW1-4, 16:00-10:00 h, night (NE; n = 4, meals; 07:00, 19:00 and 01:30 h) or not eating at night (NEN; n = 7, meals; 07:00 h, 09:30, 16:10 and 19:00 h) condition. Meal tolerance tests were conducted post breakfast on pre-night shift (PRE), SW4 and following return to day shift (RTDS), and glucose and insulin area under the curve (AUC) were calculated. Mixed-effects ANOVAs were used with fixed effects of condition and day, and their interactions, and a random effect of subject identifier on the intercept. Fasting glucose and insulin were not altered by day or condition. There were significant effects of day and condition × day (both p night (p = 0.040) and not eating at night (p = 0.006) conditions. Results in this small, healthy sample suggest that not eating at night may limit the metabolic consequences of simulated night work. Further study is needed to explore whether matching food intake to the biological clock could reduce the burden of type 2 diabetes in shift workers.

A mean-density model of ionic surfactants for the dispersion of carbon nanotubes in aqueous solutions

Science.gov (United States)

Joung, Young Soo

2018-05-01

We propose a new analytical model of ionic surfactants used for the dispersion of carbon nanotubes (CNTs) in aqueous solutions. Although ionic surfactants are commonly used to facilitate the dispersion of CNTs in aqueous solutions, understanding the dispersion process is challenging and time-consuming owing to its complexity and nonlinearity. In this work, we develop a mean-density model of ionic surfactants to simplify the calculation of interaction forces between CNTs stabilized by ionic surfactants. Using this model, we can evaluate various interaction forces between the CNTs and ionic surfactants under different conditions. The dispersion mechanism is investigated by estimating the potential of mean force (PMF) as a function of van der Waals forces, electrostatic forces, interfacial tension, and osmotic pressure. To verify the proposed model, we compare the PMFs derived using our method with those derived from molecular dynamics simulations using comparable CNTs and ionic surfactants. Notably, for stable dispersions, the osmotic pressure and interfacial energy are important for long-range and short-range interactions, respectively, in comparison with the effect of electrostatic forces. Our model effectively prescribes specific surfactants and their concentrations to achieve stable aqueous suspensions of CNTs.

Assembly of DNA Architectures in a Non-Aqueous Solution

Directory of Open Access Journals (Sweden)

Thomas J. Proctor

2012-08-01

Full Text Available In the present work, the procedures for the creation of self-assembled DNA nanostructures in aqueous and non-aqueous media are described. DNA-Surfactant complex formation renders the DNA soluble in organic solvents offering an exciting way to bridge the transition of DNA origami materials electronics applications. The DNA retains its structural features, and these unique geometries provide an interesting candidate for future electronics and nanofabrication applications with potential for new properties. The DNA architectures were first assembled under aqueous conditions, and then characterized in solution (using circular dichroism (CD spectroscopy and on the surface (using atomic force microscopy (AFM. Following aqueous assembly, the DNA nanostructures were transitioned to a non-aqueous environment, where butanol was chosen for optical compatibility and thermal properties. The retention of DNA hierarchical structure and thermal stability in non-aqueous conditions were confirmed via CD spectroscopy. The formation and characterization of these higher order DNA-surfactant complexes is described in this paper.

Contribution to the economic impact assessment of policy options to regulate animal cloning for food production with an economic simulation model

OpenAIRE

Koen Dillen; Emanuele Ferrari; Pascal Tillie; George Philippidis; Sophie Helaine

2013-01-01

The EU is currently evaluating different policy options towards the use of cloning or products derived from cloned animals in the food chain. This study presents a first attempt to quantify the likely effects of different policy scenarios on international trade and EU domestic production. In the context of the Impact Asessment process the JRC was requested to simulate via a modelling study the economic impact of selected policy options. Based on a literature review and the specific constra...

Effects of 1000 C oxide surfaces on room temperature aqueous corrosion and environmental embrittlement of iron aluminides

Energy Technology Data Exchange (ETDEWEB)

Buchanan, R.A.; Perrin, R.L. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering

1997-12-01

Results of electrochemical aqueous-corrosion studies at room temperature indicate that retained in-service-type high-temperature surface oxides (1000 C in air for 24 hours) on FA-129, FAL and FAL-Mo iron aluminides cause major reductions in pitting corrosion resistance in a mild acid-chloride solution designed to simulate aggressive atmospheric corrosion. Removal of the oxides by mechanical grinding restores the corrosion resistance. In a more aggressive sodium tetrathionate solution, designed to simulate an aqueous environment contaminated by sulfur-bearing combustion products, only active corrosion occurs for both the 1000 C oxide and mechanically cleaned surfaces at FAL. Results of slow-strain-rate stress-corrosion-cracking tests on FA-129, FAL and FAL-Mo at free-corrosion and hydrogen-charging potentials in the mild acid chloride solution indicate somewhat higher ductilities (on the order of 50%) for the 1000 C oxides retard the penetration of hydrogen into the metal substrates and, consequently, are beneficial in terms of improving resistance to environmental embrittlement. In the aggressive sodium tetrathionate solution, no differences are observed in the ductilities produced by the 1000 C oxide and mechanically cleaned surfaces for FAL.

Effects of high temperature surface oxides on room temperature aqueous corrosion and environmental embrittlement of iron aluminides

Energy Technology Data Exchange (ETDEWEB)

Buchanan, R.A.; Perrin, R.L.

1996-09-01

Studies were conducted to determine the effects of high-temperature surface oxides, produced during thermomechanical processing, heat treatment (750 {degrees}C in air, one hour) or simulated in-service-type oxidation (1000{degrees}C in air, 24 hours) on the room-temperature aqueous-corrosion and environmental-embrittlement characteristics of iron aluminides. Materials evaluated included the Fe{sub 3}Al-based iron aluminides, FA-84, FA-129, FAL and FAL-Mo, a FeAl-based iron aluminide, FA-385, and a disordered low-aluminum Fe-Al alloy, FAPY. Tests were performed in a mild acid-chloride solution to simulate aggressive atmospheric corrosion. Cyclic-anodic-polarization tests were employed to evaluate resistances to localized aqueous corrosion. The high-temperature oxide surfaces consistently produced detrimental results relative to mechanically or chemically cleaned surfaces. Specifically, the pitting corrosion resistances were much lower for the as-processed and 750{degrees} C surfaces, relative to the cleaned surfaces, for FA-84, FA-129, FAL-Mo, FA-385 and FAPY. Furthermore, the pitting corrosion resistances were much lower for the 1000{degrees}C surfaces, relative to cleaned surfaces, for FA-129, FAL and FAL-Mo.

Bioreactor droplets from liposome-stabilized all-aqueous emulsions

Science.gov (United States)

Dewey, Daniel C.; Strulson, Christopher A.; Cacace, David N.; Bevilacqua, Philip C.; Keating, Christine D.

2014-08-01

Artificial bioreactors are desirable for in vitro biochemical studies and as protocells. A key challenge is maintaining a favourable internal environment while allowing substrate entry and product departure. We show that semipermeable, size-controlled bioreactors with aqueous, macromolecularly crowded interiors can be assembled by liposome stabilization of an all-aqueous emulsion. Dextran-rich aqueous droplets are dispersed in a continuous polyethylene glycol (PEG)-rich aqueous phase, with coalescence inhibited by adsorbed ~130-nm diameter liposomes. Fluorescence recovery after photobleaching and dynamic light scattering data indicate that the liposomes, which are PEGylated and negatively charged, remain intact at the interface for extended time. Inter-droplet repulsion provides electrostatic stabilization of the emulsion, with droplet coalescence prevented even for submonolayer interfacial coatings. RNA and DNA can enter and exit aqueous droplets by diffusion, with final concentrations dictated by partitioning. The capacity to serve as microscale bioreactors is established by demonstrating a ribozyme cleavage reaction within the liposome-coated droplets.

A gas/liquid chromatographic-mass spectrometric method for the rapid screening of 250 pesticides in aqueous matrices

Energy Technology Data Exchange (ETDEWEB)

Chandramouli, B.; Harvan, D.; Brittain, S.; Hass, R. [Eno River Labs, LLC. Durham, NC (United States)

2004-09-15

Pesticide residues in food present a potentially serious and significant cause for concern. Many pesticides have been associated with significant health effects to the nervous and endocrine systems and some have been deemed carcinogenic. There are many well-established techniques for pesticide analysis. However, commercial pesticide methods have traditionally only been available for specific pesticide families, such as chlorinated pesticides or herbicides, and at detection limits ranging from 0.05 ppb to 1 ppm in aqueous matrices. Techniques that can quickly screen for the presence/absence of pesticide residues in food matrices are critical in ensuring the safety of food and water. This paper outlines a combined Gas Chromatographic-High Resolution Mass Spectrometric (GC-HRMS) and Liquid Chromatographic Tandem Mass Spectrometric (LC-MS/MS) screening assay for 250 pesticides that was developed for use in water, and soda samples at screening levels ranging from 0.1-5 ppb. The pesticides selected have been identified by the European Union as being of concern and the target of possible legislation. The list encompasses a variety of pesticide classes and compound groupings.

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

2016-01-01

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.

Towards a Food Safety Knowledge Base Applicable in Crisis Situations and Beyond

Directory of Open Access Journals (Sweden)

Alexander Falenski

2015-01-01

Full Text Available In case of contamination in the food chain, fast action is required in order to reduce the numbers of affected people. In such situations, being able to predict the fate of agents in foods would help risk assessors and decision makers in assessing the potential effects of a specific contamination event and thus enable them to deduce the appropriate mitigation measures. One efficient strategy supporting this is using model based simulations. However, application in crisis situations requires ready-to-use and easy-to-adapt models to be available from the so-called food safety knowledge bases. Here, we illustrate this concept and its benefits by applying the modular open source software tools PMM-Lab and FoodProcess-Lab. As a fictitious sample scenario, an intentional ricin contamination at a beef salami production facility was modelled. Predictive models describing the inactivation of ricin were reviewed, relevant models were implemented with PMM-Lab, and simulations on residual toxin amounts in the final product were performed with FoodProcess-Lab. Due to the generic and modular modelling concept implemented in these tools, they can be applied to simulate virtually any food safety contamination scenario. Apart from the application in crisis situations, the food safety knowledge base concept will also be useful in food quality and safety investigations.

A sigmoidal model for biosorption of heavy metal cations from aqueous media.

Science.gov (United States)

Özen, Rümeysa; Sayar, Nihat Alpagu; Durmaz-Sam, Selcen; Sayar, Ahmet Alp

2015-07-01

A novel multi-input single output (MISO) black-box sigmoid model is developed to simulate the biosorption of heavy metal cations by the fission yeast from aqueous medium. Validation and verification of the model is done through statistical chi-squared hypothesis tests and the model is evaluated by uncertainty and sensitivity analyses. The simulated results are in agreement with the data of the studied system in which Schizosaccharomyces pombe biosorbs Ni(II) cations at various process conditions. Experimental data is obtained originally for this work using dead cells of an adapted variant of S. Pombe and represented by Freundlich isotherms. A process optimization scheme is proposed using the present model to build a novel application of a cost-merit objective function which would be useful to predict optimal operation conditions. Copyright © 2015. Published by Elsevier Inc.

Theoretical study of phase behaviour of DLVO model for lysozyme and γ-crystalline aqueous electrolyte solutions

Directory of Open Access Journals (Sweden)

R. Melnyk

2015-03-01

Full Text Available Mean spherical approximation (MSA, second-order Barker-Henderson (BH perturbation theory and thermodynamic perturbation theory (TPT for associating fluids in combination with BH perturbation theory are applied to the study of the structural properties and phase behaviour of the Derjaguin-Landau-Verwey-Overbeek (DLVO model of lysozyme and γ-cristalline aqueous electrolyte solutions. Predictions of the MSA for the structure factors are in good agreement with the corresponding computer simulation predictions. The agreement between theoretical results for the liquid-gas phase diagram and the corresponding results of the experiment and computer simulation is less satisfactory, with predictions of the combined BH-TPT approach being the most accurate.

Investigating the spontaneous formation of SDS micelle in aqueous solution using a coarse-grained force field

Directory of Open Access Journals (Sweden)

José Maria Pires

2012-01-01

Full Text Available A 1µs Molecular Dynamic simulation was performed with a realistic model system of Sodium Dodecyl Sulfate (SDS micelles in aqueous solution, comprising of 360 DS-, 360 Na+ and 90000 water particles. After 300 ns three different micellar shapes and sizes 41, 68 and 95 monomers, were observed. The process led to stabilization in the total number of SDS clusters and an increase in the micellar radius to 2.23 nm, in agreement with experimental results. An important conclusion, is be aware that simulations employed in one aggregate, should be considered as a constraint. Size and shape distribution must be analyzed.

Aqueous shunt implantation in glaucoma

Directory of Open Access Journals (Sweden)

Jing Wang

2017-01-01

Full Text Available Aqueous shunts or glaucoma drainage devices are increasingly utilized in the management of refractory glaucoma. The general design of the most commonly-used shunts is based on the principles of the Molteno implant: ie. a permanent sclerostomy (tube, a predetermined bleb area (plate and diversion of aqueous humour to the equatorial region and away from the limbal subconjunctival space. These three factors make aqueous shunts more resistant to scarring as compared to trabeculectomy. The two most commonly used shunts are the Ahmed Glaucoma Valve, which contains a flow-restrictor, and the non-valved Baervedlt Glaucoma Implant. While the valved implants have a lower tendency to hypotony and related complications, the non-valved implants with larger, more-biocompatible end plate design, achieve lower intraocular pressures with less encapsulation. Non-valved implants require additional suturing techniques to prevent early hypotony and a number of these methods will be described. Although serious shunt-related infection is rare, corneal decompensation and diplopia are small but significant risks.

Reprint of "How do components of real cloud water affect aqueous pyruvate oxidation?"

Science.gov (United States)

Boris, Alexandra J.; Desyaterik, Yury; Collett, Jeffrey L.

2015-01-01

Chemical oxidation of dissolved volatile or semi-volatile organic compounds within fog and cloud droplets in the atmosphere could be a major pathway for secondary organic aerosol (SOA) formation. This proposed pathway consists of: (1) dissolution of organic chemicals from the gas phase into a droplet; (2) reaction with an aqueous phase oxidant to yield low volatility products; and (3) formation of particle phase organic matter as the droplet evaporates. The common approach to simulating aqueous SOA (aqSOA) reactions is photo-oxidation of laboratory standards in pure water. Reactions leading to aqSOA formation should be studied within real cloud and fog water to determine whether additional competing processes might alter apparent rates of reaction as indicated by rates of reactant loss or product formation. To evaluate and identify the origin of any cloud water matrix effects on one example of observed aqSOA production, pyruvate oxidation experiments simulating aqSOA formation were monitored within pure water, real cloud water samples, and an aqueous solution of inorganic salts. Two analysis methods were used: online electrospray ionization high-resolution time-of-flight mass spectrometry (ESI-HR-ToF-MS), and offline anion exchange chromatography (IC) with quantitative conductivity and qualitative ESI-HR-ToF-MS detection. The apparent rate of oxidation of pyruvate was slowed in cloud water matrices: overall measured degradation rates of pyruvate were lower than in pure water. This can be at least partially accounted for by the observed formation of pyruvate from reactions of other cloud water components. Organic constituents of cloud water also compete for oxidants and/or UV light, contributing to the observed slowed degradation rates of pyruvate. The oxidation of pyruvate was not significantly affected by the presence of inorganic anions (nitrate and sulfate) at cloud-relevant concentrations. Future bulk studies of aqSOA formation reactions using simplified

Photoelectron spectroscopy of liquid water and aqueous solution: Electron effective attenuation lengths and emission-angle anisotropy

Energy Technology Data Exchange (ETDEWEB)

Ottosson, Niklas [Department of Physics, Uppsala University, SE-75121 Uppsala (Sweden); Faubel, Manfred [Max-Planck-Institut fuer Dynamik und Selbstorganisation, Bunsenstrasse 10, D-37073 Goettingen (Germany); Bradforth, Stephen E. [Department of Chemistry, University of Southern California, Los Angeles, CA 90089 (United States); Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, and Center for Biomolecules and Complex Molecular Systems, Flemingovo nam. 2, 16610 Prague 6 (Czech Republic); Winter, Bernd, E-mail: winter@bessy.d [Helmholtz-Zentrum Berlin fuer Materialien und Energie, and BESSY, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Max-Born-Institut, Max-Born-Strasse 2A, D-12489 Berlin (Germany)

2010-03-15

Photoelectron (PE) spectroscopy measurements from liquid water and from a 4 m NaI aqueous solution are performed using a liquid microjet in combination with soft X-ray synchrotron radiation. From the oxygen 1s PE signal intensity from liquid water, measured as a function of photon energy (up to 1500 eV), we quantitatively determine relative electron inelastic effective attenuation lengths (EAL) for (photo)electron kinetic energies in the 70-900 eV range. In order to determine the absolute electron escape depths a calibration point is needed, which is not directly accessible by experiment. This information can instead be indirectly derived by comparing PE experiments and molecular dynamics (MD) simulations of an aqueous solution interface where density profiles of water, anions, and cations are distinctively different. We have chosen sodium iodide in water because iodide has a considerable propensity for the solution surface, whereas the sodium cation is repelled from the surface. By measuring the intensities of photoelectrons emitted from different orbitals of different symmetries from each aqueous ion we also evaluate whether gas-phase ionization cross sections and asymmetry parameters can describe the photoemission from ions at and near the aqueous solution/vapor interface. We show that gas-phase data reproduce surprisingly well the experimental observations for hydrated ions as long as the photon energy is sufficiently far above the ionization threshold. Electrons detected at the higher photon energies originate predominantly from deeper layers, suggesting that bulk-solution electron elastic scattering is relatively weak.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Aqueous CO2 vs. aqueous extraction of soils as a preparative procedure for acute toxicity testing

International Nuclear Information System (INIS)

Yates, G.W.; Burks, S.L.

1994-01-01

This study was to determine if contaminated soils extracted with supercritical CO 2 (SFE) would yield different results from soils extracted with an aqueous media. Soil samples from an abandoned oil refinery were subjected to aqueous and SFE extraction. Uncontaminated control sites were compared with contaminated sites. Each extract was analyzed for 48 hour acute Ceriodaphnia LC50s and Microtox reg-sign EC50s. Comparisons were then made between the aqueous extracts and the SFE extracts. An additional study was made with HPLC chromatographs of the SFE contaminated site extracts to determine if there was a correlation between LC50 results and peak area of different sections of the chromatograph. The 48 hour Ceriodaphnia LC50 of one contaminated site showed a significant increase in toxicity with the supercritical extract compared to the aqueous extract. All contaminated sites gave toxic responses with the supercritical procedure. The Microtox reg-sign assay showed a toxic response with 2 of the 3 contaminated sites for both aqueous and SFE extracts. Results indicate that the Ceriodaphnia assays were more sensitive than Microtox reg-sign to contaminants found in the refinery soil. SFE controls did not show adverse effects with the Ceriodaphnia, but did have a slight effect with Microtox reg-sign. The best correlation (r 2 > 0.90) between the Ceriodaphnia LC50s and the peak areas of the chromatographs was obtained for sections with an estimated log K ow of 1 to 5. SFE extraction provided a fast, efficient and inexpensive method of collecting and testing moderately non-polar to strongly non-polar organic contaminants from contaminated soils

Functionalization of {gamma}-alumina cores by polyvinylpirrolidone: properties of the resulting biocompatible nanoparticles in aqueous suspension

Energy Technology Data Exchange (ETDEWEB)

Fernandez, L. [Universidad Nacional del Comahue, Dpto de Quimica, Facultad de Ingenieria (Argentina); Arranz, G.; Palacio, L. [Universidad de Valladolid, Dpto. Fisica Aplicada, Facultad de Ciencias (Spain); Soria, C.; Sanchez, M.; Perez, G. [Universidad Nacional del Comahue, Dpto de Quimica, Facultad de Ingenieria (Argentina); Lozano, A. E. [UA-CSIC-UVA, Surface and Porous Materials (SMAP) (Spain); Hernandez, A.; Pradanos, P., E-mail: pradanos@termo.uva.e [Universidad de Valladolid, Dpto. Fisica Aplicada, Facultad de Ciencias (Spain)

2009-02-15

A biocompatible polymer has been used to functionalize 45-50 nm diameter {gamma}-alumina nanoparticles. Because the target was to use these systems in real applications, polyvinylpirrolidone (PVP) was chosen due to the characteristics of non-toxicity, biocompatibility, and feasibility of this polymer to form complexes with many cations and chemical species. This approach allows the use of these materials in medicine and food, textile, or pharmaceutical industry. The functionalization process required a previous attachment of an active group on the surface of the nanoparticles. Subsequently, a polymer chain was generated in situ, using vinyltrimethoxysilane (VTMS) and 1-vinyl-2-pyrrolidone (VP) as reactives. The morphology and topology of the nanocompound has been characterized in aqueous suspensions, attending to possible applications in this medium. The results obtained from the different techniques show that the polymer chain was successfully grafted to the nanoparticle surface, and allow an estimation of the size of the modified particle. Their electrical and conformational behavior have also been studied in different aqueous chemical environments.

Functionalization of γ-alumina cores by polyvinylpirrolidone: properties of the resulting biocompatible nanoparticles in aqueous suspension

International Nuclear Information System (INIS)

Fernandez, L.; Arranz, G.; Palacio, L.; Soria, C.; Sanchez, M.; Perez, G.; Lozano, A. E.; Hernandez, A.; Pradanos, P.

2009-01-01

A biocompatible polymer has been used to functionalize 45-50 nm diameter γ-alumina nanoparticles. Because the target was to use these systems in real applications, polyvinylpirrolidone (PVP) was chosen due to the characteristics of non-toxicity, biocompatibility, and feasibility of this polymer to form complexes with many cations and chemical species. This approach allows the use of these materials in medicine and food, textile, or pharmaceutical industry. The functionalization process required a previous attachment of an active group on the surface of the nanoparticles. Subsequently, a polymer chain was generated in situ, using vinyltrimethoxysilane (VTMS) and 1-vinyl-2-pyrrolidone (VP) as reactives. The morphology and topology of the nanocompound has been characterized in aqueous suspensions, attending to possible applications in this medium. The results obtained from the different techniques show that the polymer chain was successfully grafted to the nanoparticle surface, and allow an estimation of the size of the modified particle. Their electrical and conformational behavior have also been studied in different aqueous chemical environments.

Development of new antioxidant active packaging films based on ethylene vinyl alcohol copolymer (EVOH) and green tea extract.

Science.gov (United States)

Lopez de Dicastillo, Carol; Nerin, Cristina; Alfaro, Pilar; Catala, Ramon; Gavara, Rafael; Hernandez-Munoz, Pilar

2011-07-27

Ethylene vinyl alcohol copolymer (EVOH) films containing green tea extract were successfully produced by extrusion. The films were brown and translucent, and the addition of the extract increased the water and oxygen barrier at low relative humidity but increased the water sensitivity, the glass transition temperature, and the crystallinity of the films and improved their thermal resistance. An analysis by HPLC revealed that the antioxidant components of the extract suffered partial degradation during extrusion, reducing the content of catechin gallates and increasing the concentration of free gallic acid. Exposure of the films to various food simulants showed that the liquid simulants increased their capacity to reduce DPPH(•) and ABTS(•+) radicals. The release of green tea extract components into the simulant monitored by HPLC showed that all compounds present in the green tea extract were partially released, although the extent and kinetics of release were dependent on the type of food. In aqueous food simulants, gallic acid was the main antioxidant component released with partition coefficient values ca. 200. In 95% ethanol (fatty food simulant) the K value for gallic acid decreased to 8 and there was a substantial contribution of catechins (K in the 1000 range) to a greatly increased antioxidant efficiency. Kinetically, gallic acid was released more quickly than catechins, owing to its faster diffusivity in the polymer matrix as a consequence of its smaller molecular size, although the most relevant effect is the plasticization of the matrix by alcohol, increasing the diffusion coefficient >10-fold. Therefore, the materials here developed with the combination of antioxidant substances that constitute the green tea extract could be used in the design of antioxidant active packaging for all type of foods, from aqueous to fatty products, the compounds responsible for the protection being those with the higher compatibility with the packaged product.

Electrochemical reactions of uranyl(VI) complexes in aqueous solution, non-aqueous solvents, and ionic liquids

International Nuclear Information System (INIS)

Ikeda, Yasuhisa

2006-01-01

Author's recent experimental results on the chemistry of U(V) in aqueous solution, non-aqueous solvents, and ionic solvents by cyclic voltametry are described. The U(V) was produced by electrochemical reduction of uranyl U(VI) ions or complexes such as carbonates, DMF(N, N-dimethylformamide), DMSO(dimethylsulfoxide), acetylacetonato, and other organic polydental ligands. The produced U(V) complexes were studied by spectrophotometry using optical-transmission thin-layer electrode. The U(V) complexes in non-aqueous solvents were found to be rather stable, they undergo ligand-dissociation reaction but not disproportionation reaction. The structure and electronic spectra as well as IR spectra of the complexes were studied. The present method was further developed to study the behavior of U(V) complexes in ionic liquids as molten salts, e.g., alkaline metals chlorides. Thus, the present research contributes to understanding the chemistry of 5fl system. Application to such nuclear technology as spent fuel reprocessing is discussed. (S. Ohno)

Local hydrated structure of an Fe2+/Fe3+ aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods

International Nuclear Information System (INIS)

Ye Qing; Zhou Jing; Zhao Haifeng; Chen Xing; Chu Wangsheng; Zheng Xusheng; Marcelli, Augusto; Wu Ziyu

2013-01-01

The hydrated shell of both Fe 2+ and Fe 3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe 2+ and Fe 3+ are characterized by a regular octahedron with an Fe-O distance of 2.08Å for Fe 2+ and 1.96Å for Fe 3+ , and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe 2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe 2+ and Fe 3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe 3+ aqueous solution may be assigned to the contribution of the charge transfer. (authors)

High food prices and the global financial crisis have reduced access to nutritious food and worsened nutritional status and health.

Science.gov (United States)

Brinkman, Henk-Jan; de Pee, Saskia; Sanogo, Issa; Subran, Ludovic; Bloem, Martin W

2010-01-01

A global economic and financial crisis is engulfing the developing world, coming on top of high food and fuel prices. This paper assesses the impact of the crises on food consumption, nutrition, and health. Several methods were applied, including risk analysis using the cost of the food basket, assessment surveys, simulations, regression analysis using a food consumption score (FCS), reflecting diet frequency and diversity, and a review of the impact of such dietary changes on nutritional status and health. The cost of the food basket increased in several countries, forcing households to reduce quality and quantity of food consumed. The FCS, which is a measure of diet diversity, is negatively correlated with food prices. Simulations show that energy consumption declined during 2006-2010 in nearly all developing regions, resulting potentially in an additional 457 million people (of 4.5 billion) at risk of being hungry and many more unable to afford the dietary quality required to perform, develop, and grow well. As a result of the crises, large numbers of vulnerable households have reduced the quality and quantity of foods they consume and are at risk of increased malnutrition. Population groups most affected are those with the highest requirements, including young children, pregnant and lactating women, and the chronically ill (particularly people with HIV/AIDS and tuberculosis). Because undernutrition during the first 2 y of life has life-long consequences, even short-term price rises will have long-term effects. Thus, measures to mitigate the impact of the crises are urgently required.

The study of furfural removal from aqueous solutions using activated carbon and bentonite modified with cetyltrimethylammonium bromide (CTAB), a cationic surfactant

OpenAIRE

M Leili; Gh Asgari; A. A Eskandari; L Borzoei; B Ramavandi

2016-01-01

Background and Objectives: Furfural is one of the toxic chemical compounds used in many industries such as petrochemical, food, paper products, pharmaceutical, etc., due to having some characteristics. Therefore, furfural could be found at different concentrations in the effluent from these industries and can enter the environment. Hence, the aim of this study was the assessment the efficiency of a low cost bentonite modified with cationic surfactant in the removal of furfural from aqueous so...

Stabilized aqueous gels and uses thereof

Energy Technology Data Exchange (ETDEWEB)

Swanson, B.L.

1978-08-29

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.

Aqueous shunts for glaucoma.

Science.gov (United States)

Tseng, Victoria L; Coleman, Anne L; Chang, Melinda Y; Caprioli, Joseph

2017-07-28

Aqueous shunts are employed to control intraocular pressure (IOP) for people with primary or secondary glaucomas who fail or are not candidates for standard surgery. To assess the effectiveness and safety of aqueous shunts for reducing IOP in glaucoma compared with standard surgery, another type of aqueous shunt, or modification to the aqueous shunt procedure. We searched CENTRAL (which contains the Cochrane Eyes and Vision Trials Register) (2016, Issue 8), MEDLINE Ovid (1946 to August 2016), Embase.com (1947 to August 2016), PubMed (1948 to August 2016), LILACS (Latin American and Caribbean Health Sciences Literature Database) (1982 to August 2016), ClinicalTrials.gov (www.clinicaltrials.gov); searched 15 August 2016, and the World Health Organization (WHO) International Clinical Trials Registry Platform (ICTRP) (www.who.int/ictrp/search/en); searched 15 August 2016. We did not use any date or language restrictions in the electronic search for trials. We last searched the electronic databases on 15 August 2016. We also searched the reference lists of identified trial reports and the Science Citation Index to find additional trials. We included randomized controlled trials that compared various types of aqueous shunts with standard surgery or to each other in eyes with glaucoma. Two review authors independently screened search results for eligibility, assessed the risk of bias, and extracted data from included trials. We contacted trial investigators when data were unclear or not reported. We graded the certainty of the evidence using the GRADE approach. We followed standard methods as recommended by Cochrane. We included 27 trials with a total of 2099 participants with mixed diagnoses and comparisons of interventions. Seventeen studies reported adequate methods of randomization, and seven reported adequate allocation concealment. Data collection and follow-up times varied.Four trials compared an aqueous shunt (Ahmed or Baerveldt) with trabeculectomy, of which

Structural Validation of a French Food Frequency Questionnaire of 94 Items.

Science.gov (United States)

Gazan, Rozenn; Vieux, Florent; Darmon, Nicole; Maillot, Matthieu

2017-01-01

Food frequency questionnaires (FFQs) are used to estimate the usual food and nutrient intakes over a period of time. Such estimates can suffer from measurement errors, either due to bias induced by respondent's answers or to errors induced by the structure of the questionnaire (e.g., using a limited number of food items and an aggregated food database with average portion sizes). The "structural validation" presented in this study aims to isolate and quantify the impact of the inherent structure of a FFQ on the estimation of food and nutrient intakes, independently of respondent's perception of the questionnaire. A semi-quantitative FFQ ( n  = 94 items, including 50 items with questions on portion sizes) and an associated aggregated food composition database (named the item-composition database) were developed, based on the self-reported weekly dietary records of 1918 adults (18-79 years-old) in the French Individual and National Dietary Survey 2 (INCA2), and the French CIQUAL 2013 food-composition database of all the foods ( n  = 1342 foods) declared as consumed in the population. Reference intakes of foods ("REF_FOOD") and nutrients ("REF_NUT") were calculated for each adult using the food-composition database and the amounts of foods self-reported in his/her dietary record. Then, answers to the FFQ were simulated for each adult based on his/her self-reported dietary record. "FFQ_FOOD" and "FFQ_NUT" intakes were estimated using the simulated answers and the item-composition database. Measurement errors (in %), spearman correlations and cross-classification were used to compare "REF_FOOD" with "FFQ_FOOD" and "REF_NUT" with "FFQ_NUT". Compared to "REF_NUT," "FFQ_NUT" total quantity and total energy intake were underestimated on average by 198 g/day and 666 kJ/day, respectively. "FFQ_FOOD" intakes were well estimated for starches, underestimated for most of the subgroups, and overestimated for some subgroups, in particular vegetables. Underestimation were

Determination of residual volatile organic compounds migrated from polystyrene food packaging into food simulant by headspace solid phase micro extraction-gas chromatography

International Nuclear Information System (INIS)

Mohd Marsin Sanagi; Ling, Susie Lu; Zalilah Nasir; Wan Aini Wan Ibrahim; Abu Naim, Ahmedy

2008-01-01

The residual styrene and other volatile organic compounds (VOCs) present in the polystyrene food packaging are of concern as these compounds have the potential to migrate into the food in contact. This work describes a method for quantitative determination of VOCs, namely styrene, toluene, ethyl benzene, iso-propylbenzene and n-propylbenzene that have migrated from polystyrene food packaging into food stimulant by gas chromatography-flame ionization detection (GC-FID). Headspace solid phase micro extraction (HS-SPME) technique was applied for migration test using water as food stimulant. The effects of extraction variables including sample volume, eluotropic strength, extraction temperature, extraction time, desorption time, sample agitation, and salt addition on the amounts of the extracted analyses were studied to obtain the optimal HS-SPME conditions. The optimized method was applied to test the VOCs migrated from polystyrene bowls and cups at storage temperatures ranging from 24 to 80 degree Celsius for 30 min. Styrene and ethyl benzene were found to migrate from the samples into the food stimulant. The migration of analyze was found to be strongly dependent upon the storage temperature. The HS-SPME is useful as an alternative method to determine the migration of VOCs from food packaging material into food stimulant. (author)

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

2000-01-01

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...

Effectiveness of Nutrition Education on Fast Food Choices in Adolescents

Science.gov (United States)

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

2007-01-01

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…

The integral and extrinsic bioactive proteins in the aqueous extracted soybean oil bodies.

Science.gov (United States)

Zhao, Luping; Chen, Yeming; Cao, Yanyun; Kong, Xiangzhen; Hua, Yufei

2013-10-09

Soybean oil bodies (OBs), naturally pre-emulsified soybean oil, have been examined by many researchers owing to their great potential utilizations in food, cosmetics, pharmaceutical, and other applications requiring stable oil-in-water emulsions. This study was the first time to confirm that lectin, Gly m Bd 28K (Bd 28K, one soybean allergenic protein), Kunitz trypsin inhibitor (KTI), and Bowman-Birk inhibitor (BBI) were not contained in the extracted soybean OBs even by neutral pH aqueous extraction. It was clarified that the well-known Gly m Bd 30K (Bd 30K), another soybean allergenic protein, was strongly bound to soybean OBs through a disulfide bond with 24 kDa oleosin. One steroleosin isoform (41 kDa) and two caleosin isoforms (27 kDa, 29 kDa), the integral bioactive proteins, were confirmed for the first time in soybean OBs, and a considerable amount of calcium, necessary for the biological activities of caleosin, was strongly bound to OBs. Unexpectedly, it was found that 24 kDa and 18 kDa oleosins could be hydrolyzed by an unknown soybean endoprotease in the extracted soybean OBs, which might give some hints for improving the enzyme-assisted aqueous extraction processing of soybean free oil.

Subterahertz Longitudinal Phonon Modes Propagating in a Lipid Bilayer Immersed in an Aqueous Medium

Science.gov (United States)

Zakhvataev, V. E.

2018-04-01

The properties of subterahertz longitudinal acoustic phonon modes in the hydrophobic region of a lipid bilayer immersed in a compressible viscous aqueous medium are investigated theoretically. An approximate expression is obtained for the Mandelstam-Brillouin components of the dynamic structure factor of a bilayer. The analysis is based on a generalized hydrodynamic model of the "two-dimensional lipid bilayer + three-dimensional fluid medium" system, as well as on known sharp estimates for the frequencies and lifetimes of long-wavelength longitudinal acoustic phonons in a free hydrated lipid bilayer and in water, obtained from inelastic X-ray scattering experiments and molecular dynamics simulations. It is shown that, for characteristic values of the parameters of the membrane system, subterahertz longitudinal phonon-like excitations in the hydrophobic part of the bilayer are underdamped. In this case, the contribution of the viscous flow of the aqueous medium to the damping of a longitudinal membrane mode is small compared with the contribution of the lipid bilayer. Quantitative estimates of the damping ratio agree well with the experimental results for the vibration mode of the enzyme lysozyme in aqueous solution [1]. It is also shown that a coupling between longitudinal phonon modes of the bilayer and relaxation processes in its fluid environment gives rise to an additional peak in the scattering spectrum, which corresponds to a non-propagating mode.

Desalination of aqueous media using ionic liquids

NARCIS (Netherlands)

2014-01-01

The present invention relates to a method for extracting metal and/or metalloid ions from an aqueous medium, comprising the steps of: a) mixing the aqueous medium with an ionic liquid comprising an aliphatic carboxylate anion having at least one unsaturated carbon-carbon bond, or and/or with a

DEVELOPMENT OF PROTOTYPE TITANATE ION EXCHANGE LOADED MEMBRANES FOR STRONTIUM, CESIUM AND ACTINIDE DECONTAMINATION FROM AQUEOUS MEDIA

Energy Technology Data Exchange (ETDEWEB)

Oji, L; Keisha Martin, K; David Hobbs, D

2008-05-30

We have successfully incorporated high surface area particles of titanate ion exchange materials (monosodium titanate and crystalline silicotitanate) with acceptable particle size distribution into porous and inert support membrane fibrils consisting of polytetrafluoroethylene (Teflon{reg_sign}), polyethylene and cellulose materials. The resulting membrane sheets, under laboratory conditions, were used to evaluate the removal of surrogate radioactive materials for cesium-137 and strontium-90 from high caustic nuclear waste simulants. These membrane supports met the nominal requirement for nonchemical interaction with the embedded ion exchange materials and were porous enough to allow sufficient liquid flow. Some of this 47-mm size stamped out prototype titanium impregnated ion exchange membrane discs was found to remove more than 96% of dissolved cesium-133 and strontium-88 from a caustic nuclear waste salt simulants. Since in traditional ion exchange based column technology monosodium titanate (MST) is known to have great affinity for the sorbing of other actinides like plutonium, neptunium and even uranium, we expect that the MST-based membranes developed here, although not directly evaluated for uptake of these three actinides because of costs associated with working with actinides which do not have 'true' experimental surrogates, would also show significant affinity for these actinides in aqueous media. It was also observed that crystalline silicotitanate impregnated polytetrafluoroethylene or polyethylene membranes became less selective and sorbed both cesium and strontium from the caustic aqueous salt simulants.

Expression of cytokines in aqueous humor from fungal keratitis patients.

Science.gov (United States)

Zhang, Yingnan; Liang, Qingfeng; Liu, Yang; Pan, Zhiqiang; Baudouin, Christophe; Labbé, Antoine; Lu, Qingxian

2018-04-19

Although a series of reports on corneal fungal infection have been published, studies on pathogenic mechanisms and inflammation-associated cytokines remain limited. In this study, aqueous humor samples from fungal keratitis patients were collected to examine cytokine patterns and cellular profile for the pathogenesis of fungal keratitis. The aqueous humor samples were collected from ten patients with advanced stage fungal keratitis. Eight aqueous humor samples from patients with keratoconus or corneal dystrophy were taken as control. Approximately 100 μl to 300 μl of aqueous humor in each case were obtained for examination. The aqueous humor samples were centrifuged and the cells were stained and examined under optical microscope. Bacterial and fungal cultures were performed on the aqueous humor and corneal buttons of all patients. Cytokines related to inflammation including IL-1β, IL-6, IL-8, IL-10, TNF-α, and IFN-γ were examined using multiplex bead-based Luminex liquid protein array systems. Fungus infection was confirmed in these ten patients by smear stains and/or fungal cultures. Bacterial and fungal cultures revealed negative results in all aqueous humor specimens. Polymorphonuclear leukocytes were the predominant infiltrating cells in the aqueous humor of fungal keratitis. At the advanced stages of fungal keratitis, the levels of IL-1β, IL-6, IL-8, and IFN-γ in the aqueous humor were significantly increased when compared with control (phumor was associated with fungal keratitis.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

Science.gov (United States)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Towards SERS based applications in food analytics: Lipophilic sensor layers for the detection of Sudan III in food matrices

Energy Technology Data Exchange (ETDEWEB)

Jahn, Martin; Patze, Sophie [Friedrich-Schiller University Jena, Institute of Physical Chemistry and Abbe Center of Photonics, Helmholtzweg 4, 07743 Jena (Germany); Leibniz Institute of Photonic Technology (IPHT) Jena, Albert-Einstein-Strasse 9, 07745 Jena (Germany); Bocklitz, Thomas [Friedrich-Schiller University Jena, Institute of Physical Chemistry and Abbe Center of Photonics, Helmholtzweg 4, 07743 Jena (Germany); Weber, Karina [Friedrich-Schiller University Jena, Institute of Physical Chemistry and Abbe Center of Photonics, Helmholtzweg 4, 07743 Jena (Germany); Leibniz Institute of Photonic Technology (IPHT) Jena, Albert-Einstein-Strasse 9, 07745 Jena (Germany); Cialla-May, Dana, E-mail: dana.cialla-may@uni-jena.de [Friedrich-Schiller University Jena, Institute of Physical Chemistry and Abbe Center of Photonics, Helmholtzweg 4, 07743 Jena (Germany); Leibniz Institute of Photonic Technology (IPHT) Jena, Albert-Einstein-Strasse 9, 07745 Jena (Germany); Popp, Jürgen [Friedrich-Schiller University Jena, Institute of Physical Chemistry and Abbe Center of Photonics, Helmholtzweg 4, 07743 Jena (Germany); Leibniz Institute of Photonic Technology (IPHT) Jena, Albert-Einstein-Strasse 9, 07745 Jena (Germany)

2015-02-20

Highlights: • A lipophilic sensor layer was applied to enzymatically grown SERS substrates. • Sudan III molecules could be detected in presence of water-insoluble competitors. • The carcinogenic food dye Sudan III was detected in a relevant concentration range. • Multivariate statistics allows quantitative measurements of Sudan III. • Sudan III contaminations were successfully detected out of spiked paprika powder. - Abstract: Food safety is a topic of great importance for our society which places high demands on analytical methods. Surface enhanced Raman spectroscopy (SERS) meets the requirements for a rapid, sensitive and specific detection technique. The fact that metallic colloids, one of the most often used SERS substrates, are usually prepared in aqueous solution makes the detection of water-insoluble substances challenging. In this paper we present a SERS based approach for the detection of water-insoluble molecules by applying a hydrophobic surface modification onto the surface of enzymatic generated silver nanoparticles. By this approach the detection of the illegal water-insoluble food dyes, such as Sudan III in presence of riboflavin, as water-soluble competitor, is possible. Moreover, we demonstrate the usability of this kind of SERS substrates for determination of Sudan III out of spiked paprika extracts.

Towards SERS based applications in food analytics: Lipophilic sensor layers for the detection of Sudan III in food matrices

International Nuclear Information System (INIS)

Jahn, Martin; Patze, Sophie; Bocklitz, Thomas; Weber, Karina; Cialla-May, Dana; Popp, Jürgen

2015-01-01

Highlights: • A lipophilic sensor layer was applied to enzymatically grown SERS substrates. • Sudan III molecules could be detected in presence of water-insoluble competitors. • The carcinogenic food dye Sudan III was detected in a relevant concentration range. • Multivariate statistics allows quantitative measurements of Sudan III. • Sudan III contaminations were successfully detected out of spiked paprika powder. - Abstract: Food safety is a topic of great importance for our society which places high demands on analytical methods. Surface enhanced Raman spectroscopy (SERS) meets the requirements for a rapid, sensitive and specific detection technique. The fact that metallic colloids, one of the most often used SERS substrates, are usually prepared in aqueous solution makes the detection of water-insoluble substances challenging. In this paper we present a SERS based approach for the detection of water-insoluble molecules by applying a hydrophobic surface modification onto the surface of enzymatic generated silver nanoparticles. By this approach the detection of the illegal water-insoluble food dyes, such as Sudan III in presence of riboflavin, as water-soluble competitor, is possible. Moreover, we demonstrate the usability of this kind of SERS substrates for determination of Sudan III out of spiked paprika extracts

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes.

Science.gov (United States)

Suo, Liumin; Oh, Dahyun; Lin, Yuxiao; Zhuo, Zengqing; Borodin, Oleg; Gao, Tao; Wang, Fei; Kushima, Akihiro; Wang, Ziqiang; Kim, Ho-Cheol; Qi, Yue; Yang, Wanli; Pan, Feng; Li, Ju; Xu, Kang; Wang, Chunsheng

2017-12-27

Solid-electrolyte interphase (SEI) is the key component that enables all advanced electrochemical devices, the best representative of which is Li-ion battery (LIB). It kinetically stabilizes electrolytes at potentials far beyond their thermodynamic stability limits, so that cell reactions could proceed reversibly. Its ad hoc chemistry and formation mechanism has been a topic under intensive investigation since the first commercialization of LIB 25 years ago. Traditionally SEI can only be formed in nonaqueous electrolytes. However, recent efforts successfully transplanted this concept into aqueous media, leading to significant expansion in the electrochemical stability window of aqueous electrolytes from 1.23 V to beyond 4.0 V. This not only made it possible to construct a series of high voltage/energy density aqueous LIBs with unprecedented safety, but also brought high flexibility and even "open configurations" that have been hitherto unavailable for any LIB chemistries. While this new class of aqueous electrolytes has been successfully demonstrated to support diversified battery chemistries, the chemistry and formation mechanism of the key component, an aqueous SEI, has remained virtually unknown. In this work, combining various spectroscopic, electrochemical and computational techniques, we rigorously examined this new interphase, and comprehensively characterized its chemical composition, microstructure and stability in battery environment. A dynamic picture obtained reveals how a dense and protective interphase forms on anode surface under competitive decompositions of salt anion, dissolved ambient gases and water molecule. By establishing basic laws governing the successful formation of an aqueous SEI, the in-depth understanding presented in this work will assist the efforts in tailor-designing better interphases that enable more energetic chemistries operating farther away from equilibria in aqueous media.

Rapid structural analysis of nanomaterials in aqueous solutions

Science.gov (United States)

Ryuzaki, Sou; Tsutsui, Makusu; He, Yuhui; Yokota, Kazumichi; Arima, Akihide; Morikawa, Takanori; Taniguchi, Masateru; Kawai, Tomoji

2017-04-01

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.

Properties of aqueous dispersion of chitosan and chondroitin sulfate complex derived from aquatic organisms

Directory of Open Access Journals (Sweden)

Novikov V. Yu.

2016-09-01

complex from chitosan and chondroitin sulfate as an insoluble precipitate and as a form of stable aqueous dispersion has been proposed. Aqueous dispersions based on chitosan and chondroitin sulfate complex can be used to stabilize suspensions, emulsions, to create foods with a therapeutic and prophylactic properties.

Determination of the biologically active flavour substances thujone and camphor in foods and medicines containing sage (Salvia officinalis L.)

OpenAIRE

Walch, Stephan G.; Kuballa, Thomas; Stühlinger, Wolf; Lachenmeier, Dirk W.

2011-01-01

Abstract Background The sage plant Salvia officinalis L. is used as ingredient in foods and beverages as well as in herbal medicinal products. A major use is in the form of aqueous infusions as sage tea, which is legal to be sold as either food or medicine. Sage may contain two health relevant substances, thujone and camphor. The aim of this study was to develop and validate an analytical methodology to determine these active principles of sage and give a first overview of their concentration...

Bioprospecting of gum kondagogu (Cochlospermum gossypium) for bioremediation of uranium (VI) from aqueous solution and synthetic nuclear power reactor effluents.

Science.gov (United States)

Sashidhar, R B; Selvi, S Kalaignana; Vinod, V T P; Kosuri, Tanuja; Raju, D; Karuna, R

2015-10-01

An ecofriendly green chemistry method using a natural biopolymer, Gum Kondagogu (GK) for the removal of U (VI) from aqueous, simulated nuclear effluents was studied. The adsorption characteristic of GK towards U (VI) from aqueous solution was studied at varied pH, contact time, adsorbent dose, initial U (VI) concentration and temperature using UV-Visible spectroscopy and ICP-MS. Maximum adsorption was seen at pH 4, 0.1% GK with 60 min contact time at room temperature. The GK- U (VI) composite was characterized by FT-IR, zeta potential, TEM and SEM-EDAX. The Langmuir isotherm was found to be 487 mg of U (VI) g(-1) of GK. The adsorption capacity and (%) of U (VI) was found to be 490 ± 5.4 mg g(-1) and 98.5%. Moreover adsorption of U (VI) by GK was not influenced by other cations present in the simulated effluents. The adsorbed U (VI) was efficiently stripped from composite using 1 M HCl. Copyright © 2015 Elsevier Ltd. All rights reserved.

Determination of the overall migration from silicone baking moulds into simulants and food using 1H-NMR techniques.

Science.gov (United States)

Helling, Ruediger; Mieth, Anja; Altmann, Stefan; Simat, Thomas Joachim

2009-03-01

Different silicone baking moulds (37 samples) were characterized with respect to potential migrating substances using 1H-NMR, RP-HPLC-UV/ELSD and GC techniques. In all cases cyclic organosiloxane oligomers with the formula [Si(CH3)2-O]n were identified (n = 6 ... 50). Additionally, linear, partly hydroxyl-terminated organosiloxanes HO-[Si(CH3)2-O]n-H (n = 7 ... 20) were found in 13 samples. No substances other than siloxanes could be detected, meaning the migrants mainly consist of organopolysiloxanes. Based on this knowledge, a 1H-NMR quantification method for siloxanes was established for the analysis of both simulants and foodstuffs. Validation of the 1H-NMR method gave suitable performance characteristics: limit of detection 8.7 mg kg(-1) oil, coefficient of variation 7.8% (at a level of 1.0 mg kg(-1) food). Migration studies were carried out with simulants (olive oil, isooctane, ethanol (95%), Tenax) as well as preparation of different cakes. From the 1st to 10th experiment, siloxane migration into cakes only slightly decreased, with a significant dependence on fat content. Migration never exceeded a level of 21 mg kg(-1) (3 mg dm(-2)) and was, therefore, well below the overall migration limit of 60 mg kg(-1) (10 mg dm(-2)). However, migration behaviour into simulants differed completely from these results.

The spread model of food safety risk under the supply-demand disturbance

OpenAIRE

Wang, Jining; Chen, Tingqiang

2016-01-01

In this paper, based on the imbalance of the supply-demand relationship of food, we design a spreading model of food safety risk, which is about from food producers to consumers in the food supply chain. We use theoretical analysis and numerical simulation to describe the supply-demand relationship and government supervision behaviors? influence on the risk spread of food safety and the behaviors of the food producers and the food retailers. We also analyze the influence of the awareness of c...

Temperature and pH driven association in uranyl aqueous solutions

Directory of Open Access Journals (Sweden)

M. Druchok

2012-12-01

Full Text Available An association behavior of uranyl ions in aqueous solutions is explored. For this purpose a set of all-atom molecular dynamics simulations is performed. During the simulation, the fractions of uranyl ions involved in dimer and trimer formations were monitored. To accompany the fraction statistics one also collected distributions characterizing average times of the dimer and trimer associates. Two factors effecting the uranyl association were considered: temperature and pH. As one can expect, an increase of the temperature decreases an uranyl capability of forming the associates, thus lowering bound fractions/times and vice versa. The effect of pH was modeled by adding H+ or OH- ions to a "neutral" solution. The addition of hydroxide ions OH- favors the formation of the associates, thus increasing bound times and fractions. The extra H+ ions in a solution produce an opposite effect, thus lowering the uranyl association capability. We also made a structural analysis for all the observed associates to reveal the mutual orientation of the uranyl ions.

Packaging materials for use in radiation processing of foods

International Nuclear Information System (INIS)

Dragusin, M.; Rotaru, P.R.

1999-01-01

In radiation processing of food, the product often has to be prepackaged to prevent microbial recontamination during and after irradiation. The packaging material is exposed to radiation during radiation processing and radiation stability is a key consideration in the selection of packaging materials. The effects of ionizing radiation on many food packaging materials at the dose levels recommended for food precessing can be minimized by selecting appropriate radiation resistant materials. It is important to select materials in which chemicals formed as a result of the radiation treatment do not migrate and interact with the food, affecting its organoleptic and toxicological aspects. It is also important to select materials in which the physical properties are not altered to the extent they cannot resist damage during commercial production, shipment and storage. Radiation treatment of food may be classified broadly into two categories: 1. Processes requiring doses less than 10 kGy; 2. Processes requiring doses from 25 to 40 kGy for production of commercial sterility. In radiation processing of foods, gamma radiation from radioisotopes Co-60 and Cs-137 is most widely used because of its high penetrating power. Electron beam irradiation (E<10 MeV) and X-rays (E<5 MeV) can also be used for certain speciality food and packaging to the food. Because the public acceptance of irradiated foods is a major problem in marketing such products, we have developed in our laboratory an alternative techniques. These techniques are based on applying films on the surfaces of foods. The films are edible, i.e. they are an aqueous solution based on caseine, glycerine, poly-etilene-glycol (PEG), crosslinked by radiation processing. So, our techniques implies no longer the food irradiation but instead its isolation from the environmental biological attacks by means of edible films obtained by irradiation. The protective properties of films, as special humidity, oxygen and fat barriers, are

Liquid fuels from food waste: An alternative process to co-digestion

Science.gov (United States)

Sim, Yoke-Leng; Ch'ng, Boon-Juok; Mok, Yau-Cheng; Goh, Sok-Yee; Hilaire, Dickens Saint; Pinnock, Travis; Adams, Shemlyn; Cassis, Islande; Ibrahim, Zainab; Johnson, Camille; Johnson, Chantel; Khatim, Fatima; McCormack, Andrece; Okotiuero, Mary; Owens, Charity; Place, Meoak; Remy, Cristine; Strothers, Joel; Waithe, Shannon; Blaszczak-Boxe, Christopher; Pratt, Lawrence M.

2017-04-01

Waste from uneaten, spoiled, or otherwise unusable food is an untapped source of material for biofuels. A process is described to recover the oil from mixed food waste, together with a solid residue. This process includes grinding the food waste to an aqueous slurry, skimming off the oil, a combined steam treatment of the remaining solids concurrent with extrusion through a porous cylinder to release the remaining oil, a second oil skimming step, and centrifuging the solids to obtain a moist solid cake for fermentation. The water, together with any resulting oil from the centrifuging step, is recycled back to the grinding step, and the cycle is repeated. The efficiency of oil extraction increases with the oil content of the waste, and greater than 90% of the oil was collected from waste containing at least 3% oil based on the wet mass. Fermentation was performed on the solid cake to obtain ethanol, and the dried solid fermentation residue was a nearly odorless material with potential uses of biochar, gasification, or compost production. This technology has the potential to enable large producers of food waste to comply with new laws which require this material to be diverted from landfills.

Mouse single oral dose toxicity test of bupleuri radix aqueous extracts.

Science.gov (United States)

Kim, Kyung-Hu; Gam, Cheol-Ou; Choi, Seong-Hun; Ku, Sae-Kwang

2012-03-01

The aim of this study was to evaluate the single oral dose toxicity of Bupleuri Radix (BR) aqueous extracts, it has been traditionally used as anti-inflammatory agent, in male and female mice. BR extracts (yield = 16.52%) was administered to female and male ICR mice as an oral dose of 2,000, 1,000 and 500 mg/kg (body weight) according to the recommendation of Korea Food and Drug Administration (KFDA) Guidelines. Animals were monitored for the mortality and changes in body weight, clinical signs and gross observation during 14 days after dosing, upon necropsy; organ weight and histopathology of 14 principal organs were examined. As the results, no BR extracts treatment related mortalities, clinical signs, changes on the body and organ weights, gross and histopathological observations against 14 principal organs were detected up to 2,000 mg/kg in both female and male mice, except for soft feces and related body weight decrease detected in male mice treated with 2,000 mg/kg. Therefore, LD50 (50% lethal dose) and approximate LD of BR aqueous extracts after single oral treatment in female and male mice were considered over 2000 mg/kg, respectively. Although it was also observed that the possibilities of digestive disorders, like soft feces when administered over 2,000 mg/kg of BR extracts in the present study, these possibilities of digestive disorders can be disregard in clinical use because they are transient in the highest dosages male only.

Molecular dispersion energy parameters for alkali and halide ions in aqueous solution

International Nuclear Information System (INIS)

Reiser, S.; Deublein, S.; Hasse, H.; Vrabec, J.

2014-01-01

Thermodynamic properties of aqueous solutions containing alkali and halide ions are determined by molecular simulation. The following ions are studied: Li + , Na + , K + , Rb + , Cs + , F − , Cl − , Br − , and I − . The employed ion force fields consist of one Lennard-Jones (LJ) site and one concentric point charge with a magnitude of ±1 e. The SPC/E model is used for water. The LJ size parameter of the ion models is taken from Deublein et al. [J. Chem. Phys. 136, 084501 (2012)], while the LJ energy parameter is determined in the present study based on experimental self-diffusion coefficient data of the alkali cations and the halide anions in aqueous solutions as well as the position of the first maximum of the radial distribution function of water around the ions. On the basis of these force field parameters, the electric conductivity, the hydration dynamics of water molecules around the ions, and the enthalpy of hydration is predicted. Considering a wide range of salinity, this study is conducted at temperatures of 293.15 and 298.15 K and a pressure of 1 bar

Formulation and make-up of simulated cement modified water

International Nuclear Information System (INIS)

Gdowski, G.

1997-01-01

This procedure describes the formulation and make-up of Simulated Cement-Modified Waters (SCMW), which are aqueous solutions to be used for Activity E-20-50 Long-Term Corrosion Studies. These solutions simulate the changes to representative Yucca Mountain water chemistry because of prolonged contact with aged cement. The representative water was chosen as J-13 well water [Harrar, 1990]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock

VASA: Interactive Computational Steering of Large Asynchronous Simulation Pipelines for Societal Infrastructure.

Science.gov (United States)

Ko, Sungahn; Zhao, Jieqiong; Xia, Jing; Afzal, Shehzad; Wang, Xiaoyu; Abram, Greg; Elmqvist, Niklas; Kne, Len; Van Riper, David; Gaither, Kelly; Kennedy, Shaun; Tolone, William; Ribarsky, William; Ebert, David S

2014-12-01

We present VASA, a visual analytics platform consisting of a desktop application, a component model, and a suite of distributed simulation components for modeling the impact of societal threats such as weather, food contamination, and traffic on critical infrastructure such as supply chains, road networks, and power grids. Each component encapsulates a high-fidelity simulation model that together form an asynchronous simulation pipeline: a system of systems of individual simulations with a common data and parameter exchange format. At the heart of VASA is the Workbench, a visual analytics application providing three distinct features: (1) low-fidelity approximations of the distributed simulation components using local simulation proxies to enable analysts to interactively configure a simulation run; (2) computational steering mechanisms to manage the execution of individual simulation components; and (3) spatiotemporal and interactive methods to explore the combined results of a simulation run. We showcase the utility of the platform using examples involving supply chains during a hurricane as well as food contamination in a fast food restaurant chain.

Response of ethylene propylene diene monomer rubber (EPDM) to simulant Hanford tank waste

Energy Technology Data Exchange (ETDEWEB)

NIGREY,PAUL J.

2000-02-01

This report presents the findings of the Chemical Compatibility Program developed to evaluate plastic packaging components that may be incorporated in packaging mixed-waste forms for transportation. Consistent with the methodology outlined in this report, the author performed the second phase of this experimental program to determine the effects of simulant Hanford tank mixed wastes on packaging seal materials. That effort involved the comprehensive testing of five plastic liner materials in an aqueous mixed-waste simulant. The testing protocol involved exposing the materials to {approximately}143, 286, 571, and 3,670 krad of gamma radiation and was followed by 7-, 14-, 28-, 180-day exposures to the waste simulant at 18, 50, and 60 C. Ethylene propylene diene monomer (EPDM) rubber samples subjected to the same protocol were then evaluated by measuring seven material properties: specific gravity, dimensional changes, mass changes, hardness, compression set, vapor transport rates, and tensile properties. The author has determined that EPDM rubber has excellent resistance to radiation, this simulant, and a combination of these factors. These results suggest that EPDM is an excellent seal material to withstand aqueous mixed wastes having similar composition to the one used in this study.

Food web framework for size-structured populations

DEFF Research Database (Denmark)

Hartvig, Martin; Andersen, Ken Haste; Beyer, Jan

2011-01-01

. Parameter values are determined from cross-species analysis of fish communities as life-history omnivory is widespread in aquatic systems, but may be reparameterised for other systems. An ensemble of food webs is generated and the resulting communities are analysed at four levels of organisation: community......We synthesise traditional unstructured food webs, allometric body size scaling, trait-based modelling, and physiologically structured modelling to provide a novel and ecologically relevant tool for size-structured food webs. The framework allows food web models to include ontogenetic growth...... level, species level, trait level, and individual level. The model may be solved analytically by assuming that the community spectrum follows a power law. The analytical solution provides a baseline expectation of the results of complex food web simulations, and agrees well with the predictions...

Principles of interactions in non-aqueous electrolyte solutions

NARCIS (Netherlands)

Lyklema, J.

2013-01-01

In this paper a review is presented on the molecular interactions in non-aqueous media of low dielectric permittivity. Qualitative and quantitative distinctions with aqueous solutions are emphasized. The reviewed themes include dispersion forces, dissociation and association equilibria,

[Preoperatively administered flomoxef sodium concentration in aqueous humor].

Science.gov (United States)

Miyamoto, Mariko; Watanabe, Yoichiro; Mizuki, Nobuhisa

2007-04-01

We intravenously administered flomoxef sodium (FMOX) 0.5-3.5 hours before cataract surgery and measured the concentration of the agent in the aqueous humor to investigate its penetration into the aqueous humor and its efficacy in the prevention of postoperative endophthalmitis. 56 patients who underwent cataract surgery were enrolled in this study. They received 1 g FMOX via a 20-minute intravenous drip beginning 0.5-3.5 hours before the operation. Aqueous humor was aspirated from the anterior chamber and assayed for FMOX concentration using high-performance liquid chromatography. The mean intraoperative FMOX concentrations in the patients' aqueous humor were 0.79 +/- 0.24 microg/ml (administered 3.5 hours before surgery)--1.47 0.79 microg/ml (administered 1.5 hours before surgery). These concentrations administered 0.5-3.0 hours before surgery sufficiently exceeded the minimum inhibitory concentration (MIC) 90 values against Staphylococcus epidermidis, Staphylococcus aureus and Propionibacterium acnes, but did not achieve the MIC90 values against Enterococcus faecalis and Pseudomonas aeruginosa. The FMOX concentrations in the aqueous humor sampling were adequate to kill bacteria in vitro. This drug may be efficacious in the prevention of postoperative endophthalmitis in patients undergoing cataract surgery.

The Interaction of Sorbitol with Caffeine in Aqueous Solution.

Science.gov (United States)

Tavagnacco, Letizia; Brady, John W; Cesàro, Attilio

2013-09-01

Molecular dynamics simulations were carried out on a system of caffeine interacting with the sugar alcohol sorbitol. The system examined had a caffeine concentration 0.083 m and a sugar concentration 1.08 m. The trajectories of all molecules in the system were collected over a period of 80 ns and analyzed to determine whether there is any tendency for sorbitol to bind to caffeine, and if so, by what mechanism. The results show that the sorbitol molecules have an affinity for the caffeine molecules and that the binding occurred by the interaction of the aliphatic hydrophobic protons of the sugar with the caffeine face. This intermolecular association via face-to-face stacking, as suggested by simulation studies, is similar to that found for sucrose and for D-glucose, which overwhelmingly exists in the pyranose ring chair form in aqueous solution, as well as for caffeine-caffeine association. The sorbitol molecules, however, exist as relatively extended chains and are, therefore, topologically quite different from the sugars sucrose and glucose. The comparison of the average conformation of sorbitol molecules bound to caffeine with that of molecules in the free state shows a substantial similarity.

A model stomach system to investigate disintegration kinetics of solid foods during gastric digestion.

Science.gov (United States)

Kong, F; Singh, R P

2008-06-01

Knowledge of the disintegration kinetics of food particulates in the human stomach is essential for assessing the bioaccessibility of nutrients in solid foods and understanding stomach emptying. The objective of this study was to develop a model stomach system and to investigate the kinetics of food disintegration. Our system consisted mainly of a turntable and a jacketed glass chamber containing simulated gastric juice in which plastic beads were added to simulate food particulates as well as provide a suitable mechanical destructive force on food samples. The mechanical force on the samples was simultaneously measured using the load cell of a TA-XT2 texture analyzer. Cylindrical carrots and ham samples were used as representative foods. The system is capable of simulating the in vivo stomach in terms of providing a wide range of continuous and periodic forces comparable to those measured in vivo. The modified power exponential function of the form y(t)= 1 - (1 -e(-kt))(beta), where y(t) is the mass retention ratio at time t, provided a reasonable description for the disintegration performance of tested foods. The mass retention curve can be either a sigmoidal decay with an initial delay or an exponential decay, which are decided largely by the hardness of the foods during digestion and the extent of physical force acting on the foods. A good match was observed between the kinetics of food disintegration and in vivo stomach emptying.

Phytochemical constituents and antioxidant activities of aqueous ...

African Journals Online (AJOL)

Furthermore, total phenolic content in aqueous extract (0.66 ± 0.02 mg gallic acid equivalent/g) was significantly higher (p < 0.05) than methanol extract (0.52 ± 0.01 mg gallic acid equivalent/g). In addition, inhibition of lipid peroxidation by aqueous extract (80.60 ± 0.28%) was significantly higher (p < 0.05) than methanol ...

Effect of food intake and co-administration of placebo self-nanoemulsifying drug delivery systems on the absorption of cinnarizine in healthy human volunteers

DEFF Research Database (Denmark)

Christiansen, Martin Lau; Holm, Rene; Abrahamsson, Bertil

2016-01-01

Positive food effects may be observed for low aqueous soluble compounds, these effects could potentially be circumvented using lipid based formulations. However, as all compounds are not chemically stable in lipid based systems, alternative dosage regimes could be investigated to evade the stabil...

Engineering aspects of rate-related processes in food manufacturing.

Science.gov (United States)

Adachi, Shuji

2015-01-01

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.

Phenolic acids inhibit the formation of advanced glycation end products in food simulation systems depending on their reducing powers and structures.

Science.gov (United States)

Chen, Hengye; Virk, Muhammad Safiullah; Chen, Fusheng

2016-06-01

The concentration of advanced glycation end products (AGEs) in foods, which are formed by Maillard reaction, has demonstrated as risk factors associated with many chronic diseases. The AGEs inhibitory activities of five common phenolic acids (protocatechuic acid, dihydroferulic acid, p-coumaric acid, p-hydroxybenzoic acid and salicylic acid) with different chemical properties had been investigated in two food simulation systems (glucose-bovine serum albumin (BSA) and oleic acid-BSA). The results substantiated that the AGEs inhibitory abilities of phenolic acids in the oleic acid BSA system were much better than the glucose-BSA system for their strong reducing powers and structures. Among them, dihydrogenferulic acid showed strong inhibition of AGEs formation in oleic acid-BSA system at 0.01 mg/mL compared to nonsignificant AGEs inhibitory effect in oleic acid-BSA system at 10-fold higher concentration (0.1 mg/mL). This study suggests that edible plants rich in phenolic acids may be used as AGEs inhibitor during high-fat cooking.

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions.

Science.gov (United States)

Jiang, Hao; Haji-Akbari, Amir; Debenedetti, Pablo G; Panagiotopoulos, Athanassios Z

2018-01-28

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained for a range of salt concentrations for the Joung-Cheatham NaCl force field combined with the Extended Simple Point Charge (SPC/E) water model. The calculated nucleation rates are significantly lower than the available experimental measurements. The estimates for the nucleation rates in this work do not rely on classical nucleation theory, but the pathways observed in the simulations suggest that the nucleation process is better described by classical nucleation theory than an alternative interpretation based on Ostwald's step rule, in contrast to some prior simulations of related models. In addition to the size of NaCl nucleus, we find that the crystallinity of a nascent cluster plays an important role in the nucleation process. Nuclei with high crystallinity were found to have higher growth probability and longer lifetimes, possibly because they are less exposed to hydration water.

Stabilization of Savannah River National Laboratory (SRNL) Aqueous Waste by Fluidized Bed Steam Reforming (FBSR)

International Nuclear Information System (INIS)

Jantzen, C

2004-01-01

The Savannah River National Laboratory (SRNL) is a multidisciplinary laboratory operated by Westinghouse Savannah River Company (WSRC) in Aiken, South Carolina. Research and development programs have been conducted at SRNL for ∼50 years generating non-radioactive (hazardous and non-hazardous) and radioactive aqueous wastes. Typically the aqueous effluents from the R and D activities are disposed of from each laboratory module via the High Activity Drains (HAD) or the Low Activity Drains (LAD) depending on whether they are radioactive or not. The aqueous effluents are collected in holding tanks, analyzed and shipped to either H-Area (HAD waste) or the F/H Area Effluent Treatment Facility (ETF) (LAD waste) for volume reduction. Because collection, analysis, and transport of LAD and HAD waste is cumbersome and since future treatment of this waste may be curtailed as the F/H-Area evaporators and waste tanks are decommissioned, SRNL laboratory operations requested several proof of principle demonstrations of alternate technologies that would define an alternative disposal path for the aqueous wastes. Proof of principle for the disposal of SRNL HAD waste using a technology known as Fluidized Bed Steam Reforming (FBSR) is the focus of the current study. The FBSR technology can be performed either as a batch process, e.g. in each laboratory module in small furnaces with an 8'' by 8'' footprint, or in a semi-continuous Bench Scale Reformer (BSR). The proof of principle experiments described in this study cover the use of the FBSR technology at any scale (pilot or full scale). The proof of principle experiments described in this study used a non-radioactive HAD simulant

Molecular dynamics simulations of interfacial interactions between small nanoparticles during diffusion-limited aggregation

International Nuclear Information System (INIS)

Lu, Jing; Liu, Dongmei; Yang, Xiaonan; Zhao, Ying; Liu, Haixing; Tang, Huan; Cui, Fuyi

2015-01-01

Graphical abstract: - Highlights: • Diffusion-limited aggregation is analyzed using molecular dynamic simulations. • The aggregation processand aggregate structure vary with particle size. • Particle-particle interaction and surface diffusion result in direct bonding. • Water-mediated interaction is responsible for the separation betweennanoparticles. - Abstract: Due to the limitations of experimental methods at the atomic level, research on the aggregation of small nanoparticles (D < 5 nm) in aqueous solutions is quite rare. The aggregation of small nanoparticles in aqueous solutions is very different than that of normal sized nanoparticles. The interfacial interactions play a dominant role in the aggregation of small nanoparticles. In this paper, molecular dynamics simulations, which can explore the microscopic behavior of nanoparticles during the diffusion-limited aggregation at an atomic level, were employed to reveal the aggregation mechanism of small nanoparticles in aqueous solutions. First, the aggregation processes and aggregate structure were depicted. Second, the particle–particle interaction and surface diffusion of nanoparticles during aggregation were investigated. Third, the water-mediated interactions during aggregation were ascertained. The results indicate that the aggregation of nanoparticle in aqueous solutions is affected by particle size. The strong particle–particle interaction and high surface diffusion result in the formation of particle–particle bonds of 2 nm TiO 2 nanoparticles, and the water-mediated interaction plays an important role in the aggregation process of 3 and 4 nm TiO 2 nanoparticles.

Radiation-induced nitration of organic compounds in aqueous solutions

International Nuclear Information System (INIS)

Ershov, B.G.; Gordeev, A.V.; Bykov, G.L.; Moisy, P.

2012-01-01

Radiolysis in aqueous nitrate and acetic acid solutions and nitrate/nitric acid and phenol was studied. The radiolysis of these solutes occurs with circle NO 2 radical, which is the active nitrating agent. Accumulation of nitromethane and nitrite was determined during γ-irradiation of aqueous solutions containing acetic and nitrate solutions. Irradiation of aqueous phenol-nitrate/nitric acid solutions results in the formation of 2- and 4-nitrophenols.

Radiation-induced nitration of organic compounds in aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Ershov, B.G.; Gordeev, A.V.; Bykov, G.L. [Russian Academy of Sciences, Moscow (Russian Federation). Frumkin Inst. of Physical Chemistry and Electrochemistry; Moisy, P. [CEA, Bagnols sur Ceze (France). Nuclear Energy Div.

2012-07-01

Radiolysis in aqueous nitrate and acetic acid solutions and nitrate/nitric acid and phenol was studied. The radiolysis of these solutes occurs with {sup circle} NO{sup 2} radical, which is the active nitrating agent. Accumulation of nitromethane and nitrite was determined during {gamma}-irradiation of aqueous solutions containing acetic and nitrate solutions. Irradiation of aqueous phenol-nitrate/nitric acid solutions results in the formation of 2- and 4-nitrophenols.

Harvesting biogas from wastewater sludge and food waste

International Nuclear Information System (INIS)

Chua, K H; Cheah, W L; Leong, Y P; Tan, C F

2013-01-01

Wastewater sludge and food waste are good source of biogas. Anaerobic treatment of slude and food waste able to produce biogas which is a potential renewable energy source. This study looks into the potential biogas generation and the effects of temperature on biogas generation. A lab scale reactor was used to simulate the biogas generation. The results show that wastewater sludge able to produced upto 44.82 ml biogas/kg of sludge. When mixed with food waste at a ratio of 30:70 (food waste), the biogas generated were 219.07 ml/kg of waste. Anaerobic of food waste alone produced biogas amount to 59.75 ml/kg of food waste. Anaerobic treatment also reduces the volume of waste. The effect of temperature shows that higher temperature produces more biogas than lower temperature.

Thermodynamic properties of potassium chloride aqueous solutions

Science.gov (United States)

Zezin, Denis; Driesner, Thomas

2017-04-01

Potassium chloride is a ubiquitous salt in natural fluids, being the second most abundant dissolved salt in many geological aqueous solutions after sodium chloride. It is a simple solute and strong electrolyte easily dissociating in water, however the thermodynamic properties of KCl aqueous solutions were never correlated with sufficient accuracy for a wide range of physicochemical conditions. In this communication we propose a set of parameters for a Pitzer-type model which allows calculation of all necessary thermodynamic properties of KCl solution, namely excess Gibbs free energy and derived activity coefficient, apparent molar enthalpy, heat capacity and volume, as well as osmotic coefficient and activity of water in solutions. The system KCl-water is one of the best studied aqueous systems containing electrolytes. Although extensive experimental data were collected for thermodynamic properties of these solutions over the years, the accurate volumetric data became available only recently, thus making possible a complete thermodynamic formulation including a pressure dependence of excess Gibbs free energy and derived properties of the KCl-water liquids. Our proposed model is intended for calculation of major thermodynamic properties of KCl aqueous solutions at temperatures ranging from freezing point of a solution to 623 K, pressures ranging from saturated water vapor up to 150 MPa, and concentrations up to the salt saturation. This parameterized model will be further implemented in geochemical software packages and can facilitate the calculation of aqueous equilibrium for reactive transport codes.

The removal of Tartrazine dye by modified Alumina with sodium dodecyl sulfate from aqueous solutions: equilibrium and thermodynamic studies

Directory of Open Access Journals (Sweden)

A. Parchebaf Jadid

2017-11-01

Full Text Available Edible colors are materials which in the case of adding to food and drinks cause transferring color to them. Most of these colors are not acceptable in terms of applying in human food and underlies various diseases like gastrointestinal disorders, renal, liver and blood toxicity. The goal of this study was investigating the efficiency of improved alumina by sodium dodecyl sulfate (SDS in eliminating Tartrazine from aqueous environments. In this research, the impact of effective parameters such as initial concentration of Tartrazine, time, pH, alumina dose and SDS value were studied in order to approach an optimal condition for eliminating the color. Also, absorption behavior was evaluated by Freundlich and Langmuir isotherms. The highest efficiency of Tartrazine elimination in the solution resulted in optimal pH of 2, the amount of adsorbent 1.5 g/L, 16 min duration and value 0.04 SDS g/l which was obtained for dye concentration 5 mg/L about 94.13%. Also, results suggested that Tartrazine absorption follows Langmuir isotherm (R2 = 0.9867. Obtained results from thermodynamic studies such as Gibbs free energy (-5.728 Kj/mol and enthalpy (-85.86 Kj/mol and entropy (-271.102 J/mol.K also suggested that the absorption process was exothermic. The results of this research suggested that improved alumina by sodium dodecyl sulfate had a relative good capability in Tartrazine elimination from aqueous environments. Thus

Simulation of prompt gamma rays spectra: calibration for pollutants determination in voluminous samples

International Nuclear Information System (INIS)

Khelifi, R.; Idiri, Z.; Amokrane, A.; Bode, P.

2006-01-01

A PGNAA facility using Am-Be source has been developed with the aim of analyzing the major composition of various elements in aqueous samples. A program of simulation for gamma rays spectra was developed to estimate the detection limits of pollutants. The background line under photo peaks of interest was simulated using experimental data. The reliability of the program was checked under real conditions with solutions containing various salt concentrations. Experimental and simulated spectra were found to be in good agreement. (author)

Influence of dispersants on trophic transfer of petroleum hydrocarbons in a marine food chain

Energy Technology Data Exchange (ETDEWEB)

Wolfe, M.; Tjeerdema, R. [Univ. of California, Santa Cruz, CA (United States). Dept. of Chemistry and Biochemistry; Sowby, M. [California Dept. of Fish and Game, Sacramento, CA (United States)

1995-12-31

When crude oil is accidentally released into the ocean, it threatens many levels of marine life. Intervention, in the form of chemical dispersing agents, alters the normal behavior of petroleum hydrocarbons (PH) by increasing their functional water solubility and the extent of their exposure to sub-surface organisms. Dispersing agents may modify bioavailability as a result of altered interactions between dispersed PH droplets and organismal cell membranes.The objective of this research was to determine the impact of dispersing agents on PH bioavailability and trophic transfer in primary levels of a marine food chain. Uptake, bioaccumulation, depuration, and metabolic transformation of a model PH, {sup 14}C-naphthalene, were measured and compared for Prudhoe Bay Crude Oil (PBCO) dispersed with Corexit 9527 and undispersed preparations of the water-accommodated fractions (WAF) of PBCO at two salinities and temperatures. The model food chain consisted of Isochrysis galbana and Brachionus plicatilis. Direct aqueous exposure was compared with combined aqueous and dietary exposure. Fractionation and identification of metabolites was done by HPLC co-chromatography with analytical standards, and quantitation was done by liquid scintillation counting. GC-FID characterization of WAF and dispersed oil (DO) preparations shows higher concentrations of petroleum hydrocarbons and a greater number of individual constituents in the dispersed oil preparations.

Influence of dispersants on trophic transfer of petroleum hydrocarbons in a marine food chain

International Nuclear Information System (INIS)

Wolfe, M.; Tjeerdema, R.

1995-01-01

When crude oil is accidentally released into the ocean, it threatens many levels of marine life. Intervention, in the form of chemical dispersing agents, alters the normal behavior of petroleum hydrocarbons (PH) by increasing their functional water solubility and the extent of their exposure to sub-surface organisms. Dispersing agents may modify bioavailability as a result of altered interactions between dispersed PH droplets and organismal cell membranes.The objective of this research was to determine the impact of dispersing agents on PH bioavailability and trophic transfer in primary levels of a marine food chain. Uptake, bioaccumulation, depuration, and metabolic transformation of a model PH, 14 C-naphthalene, were measured and compared for Prudhoe Bay Crude Oil (PBCO) dispersed with Corexit 9527 and undispersed preparations of the water-accommodated fractions (WAF) of PBCO at two salinities and temperatures. The model food chain consisted of Isochrysis galbana and Brachionus plicatilis. Direct aqueous exposure was compared with combined aqueous and dietary exposure. Fractionation and identification of metabolites was done by HPLC co-chromatography with analytical standards, and quantitation was done by liquid scintillation counting. GC-FID characterization of WAF and dispersed oil (DO) preparations shows higher concentrations of petroleum hydrocarbons and a greater number of individual constituents in the dispersed oil preparations

Plasmon-driven sequential chemical reactions in an aqueous environment.

Science.gov (United States)

Zhang, Xin; Wang, Peijie; Zhang, Zhenglong; Fang, Yurui; Sun, Mengtao

2014-06-24

Plasmon-driven sequential chemical reactions were successfully realized in an aqueous environment. In an electrochemical environment, sequential chemical reactions were driven by an applied potential and laser irradiation. Furthermore, the rate of the chemical reaction was controlled via pH, which provides indirect evidence that the hot electrons generated from plasmon decay play an important role in plasmon-driven chemical reactions. In acidic conditions, the hot electrons were captured by the abundant H(+) in the aqueous environment, which prevented the chemical reaction. The developed plasmon-driven chemical reactions in an aqueous environment will significantly expand the applications of plasmon chemistry and may provide a promising avenue for green chemistry using plasmon catalysis in aqueous environments under irradiation by sunlight.

Influence of aqueous phase on electrochemical biocorrosion tests in diesel/water systems

Energy Technology Data Exchange (ETDEWEB)

Bento, F.M. [Dept. of Soils, Faculty of Agronomy, UFRGS, 7712 Bento Goncalves Avenue, CEP: 91540-001, POA, RS (Brazil); Englert, G.E.; Muller, I.L. [Dept. of Metallurgy, Biocorrosion and Biofilms Lab, UFRGS, 99 Osvaldo Aranha Avenue s.615D, CEP: 90035-190, POA, RS (Brazil); Gaylarde, C.C. [Dept. of Biophisics, UFRGS POA, RS (Brazil)

2004-08-01

Storage tanks containing microbially contaminated diesel oil are susceptible to corrosion. This process may be evaluated electrochemically in the laboratory using simulated storage systems containing diesel oil and an aqueous phase. The simulated aqueous phase must supply mineral nutrients for microbial growth, together with adequate electrical conductivity, without, however, being too corrosive, so as to allow the aggressive nature of the microbial metabolites to be detected. In this investigation, microbial growth was measured in six electrically conductive media overlaid with metropolitan diesel oil containing an additive package. The microorganisms were the filamentous fungi, Hormoconis resinae, Paecilomyces variotii and Aspergillus fumigatus, the bacterium Bacillus subtilis and the yeast Candida silvicola, all previously isolated from contaminated diesel oil. After 60 days incubation with pure or mixed inocula of these microorganisms, pH, conductivity and viable microorganisms were measured. The electrochemical behaviour of carbon steel ASTM 283-93-C was determined in each of the six media (uninoculated) and in selected inoculated medium via measurements of open circuit potential and potentiostatic polarization curves. The uptake of phosphate (corrosion inhibitor), microbial growth, pH, conductivity and anodic and cathodic polarization curves were assessed in the water phase after 30 and 60 days of incubation with each single species Aspergillus fumigatus and Hormoconis resinae and with the consortium. The medium which proved most appropriate was Bushnell-Haas medium modified by the omission of chlorides, which allowed satisfactory microbial growth and had low aggressivity towards the steel. The performance of electrochemical tests in aerated, rather than deaerated, electrolyte solutions is suggested to be important to allow the detection of microbial influence on passive film formation and stability. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

Characterisation of the aqueous corrosion process in NdFeB melt spun ribbon and MQI bonded magnets

Science.gov (United States)

McCain, Stephen

A major factor limiting the use and longevity of rare earth based magnetic materials is their susceptibility to aqueous corrosion and associated detrimental effects upon the magnetic properties of the material. This process was investigated through a combination of exposure to simulated environmental conditions and hydrogen absorption/desorption studies (HADS) in conjunction with magnetic characterisation. This study utilises NdFeB MQP-B melt-spun ribbon manufactured by Magnequench, in the form of MQI bonded magnets and also in its unbonded state as MQ powder. Specifically, it was concerned with how effective a variety of bonding media (epoxy resin,PTFE, zinc) and surface coatings (PTFE, Qsil, zinc LPPS, Dex-Cool) were at limiting the impact of aqueous corrosion in MQI bonded magnets. To characterise the effect of hydrogen absorption upon the magnetic properties of the MQP-B, hydrogen uptake was induced followed by a series of outgassing heat treatments with subsequent magnetic characterisation accompanied by HADS techniques performed after each outgas. This allowed comparisons to be made between the effects of aqueous corrosion process and hydrogen absorption upon the magnetic properties of the alloy.. This study has clearly demonstrated the link between the abundance of environmental moisture and rate of Hci losses in MQI bonded magnets. In addition to this the key mechanism responsible for the degradation of magnetic properties has been identified. These losses have been attributed to the absorption of hydrogen generated by the dissociation of water in the presence of NdFeB during the aqueous corrosion process. It has been shown that the use of a bonding media that is impermeable to water can limit the effects of aqueous corrosion by limiting water access to the Magnequench particles (MQP) and also the positive effects of the use of suitable surface coatings has been shown to be effective for the same reason..

Colonial vs. planktonic type of growth: mathematical modeling of microbial dynamics on surfaces and in liquid, semi-liquid and solid foods.

Science.gov (United States)

Skandamis, Panagiotis N; Jeanson, Sophie

2015-01-01

Predictive models are mathematical expressions that describe the growth, survival, inactivation, or biochemical processes of foodborne bacteria. During processing of contaminated raw materials and food preparation, bacteria are entrapped into the food residues, potentially transferred to the equipment surfaces (abiotic or inert surfaces) or cross-contaminate other foods (biotic surfaces). Growth of bacterial cells can either occur planktonically in liquid or immobilized as colonies. Colonies are on the surface or confined in the interior (submerged colonies) of structured foods. For low initial levels of bacterial population leading to large colonies, the immobilized growth differs from planktonic growth due to physical constrains and to diffusion limitations within the structured foods. Indeed, cells in colonies experience substrate starvation and/or stresses from the accumulation of toxic metabolites such as lactic acid. Furthermore, the micro-architecture of foods also influences the rate and extent of growth. The micro-architecture is determined by (i) the non-aqueous phase with the distribution and size of oil particles and the pore size of the network when proteins or gelling agent are solidified, and by (ii) the available aqueous phase within which bacteria may swarm or swim. As a consequence, the micro-environment of bacterial cells when they grow in colonies might greatly differs from that when they grow planktonically. The broth-based data used for modeling (lag time and generation time, the growth rate, and population level) are poorly transferable to solid foods. It may lead to an over-estimation or under-estimation of the predicted population compared to the observed population in food. If the growth prediction concerns pathogen bacteria, it is a major importance for the safety of foods to improve the knowledge on immobilized growth. In this review, the different types of models are presented taking into account the stochastic behavior of single cells