Investigation of 2,4-dinitrophenylhydrazine impregnated adsorbent tubes for the collection of airborne aldehydes

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

Holdren, M.W.; Smith, D.L.; Russell, N.K.

1988-06-01

The objective of the study was to investigate the use of 2,4-dinitrophenylhydrazine (DNPH) impregnated adsorbents for sampling airborne aldehydes. Experimental results using a 17 cu m environmental chamber and various spiked amounts of aldehyde material (low ppb levels) showed that the DNPH coated cartridge and the DNPH/acetonitrile impinger methods gave equivalent results. Blank levels of the DNPH-coated cartridges were studied as a function of storage time using various containers and temperature conditions. Canisters pressurized with zero-grade nitrogen provided the best storage device. Lower blank levels were also obtained when the cartridges were stored at lower temperatures. Blank levels appear tomore » equilibrate after six days of storage. To assure that quality data will be obtained, cartridges should be grouped according to batch number and blank levels should be determined prior to any field monitoring effort. Blank cartridge levels should be an order of magnitude lower than sample cartridge level. High performance liquid chromatography with UV detection proved to be a sensitive and stable analytical method for the DNPH derivatives.« less

Alkaline electrochemical cells and method of making

NASA Technical Reports Server (NTRS)

Hoyt, H. E.; Pfluger, H. L. (Inventor)

1970-01-01

Equilibrated cellulose ether membranes of increased electrolytic conductivity for use as separators in concentrated alkaline electrochemical cells are investigated. The method of making such membranes by equilibration to the degree desired in an aqueous alkali solution mantained at a temperature below about 10 C is described.

Cation Exchange Capacity of Biochar: An urgent method modification

NASA Astrophysics Data System (ADS)

Munera, Jose; Martinsen, Vegard; Mulder, Jan; Tau Strand, Line; Cornelissen, Gerard

2017-04-01

A better understanding of the cation exchange capacity (CEC) values of biochar and its acid neutralizing capacity (ANC) is crucial when tailoring a single biochar for a particular soil and crop. Literature values for the CEC of biochar are surprisingly variable, commonly ranging from 5 to 50 cmol+/Kg even as high as 69 to 204 cmol+/Kg and often poorly reproducible, suggesting methodological problems. Ashes and very fine pores in biochar may complicate the analysis and thus compromise the results. Here, we modify and critically assess different steps in a common method for CEC determination in biochar and investigate how the measured CEC may be affected by slow cation diffusion from micro-pores. We modified the existing ammonium acetate (NH4-OAc) method (buffered at pH 7), based on displaced ammonium (NH4+) in potassium chloride (KCl) extracts after removing excess NH4-OAc with alcohol in batch mode. We used pigeon pea biochar (produced at 350 ˚C; particle size 0.5mm to 2mm) to develop the method and we tested its reproducibility in biochars with different ANC. The biochar sample (1.00g) was pH-adjusted to 7 after 2 days of equilibration, using hydrochloric acid (HCl), and washed with water until the conductivity of the water was <200µScm-1.Thus, we removed the soluble ash component, while simultaneously allowing the NH4-OAc to buffer at pH 7. To assess the importance of diffusion limitation of replacing cations (NH4+ and K+) in micro-pores, we equilibrated the biochar with NH4-OAc for 1 and 7 days, and after washing with alcohol, for 1, 3 and 7 days with KCl. The effects of the washing volume of alcohol (15, 30 and 45 ml) and of the biochar to NH4OAc solution ratio (1:15, 1:30 and 1:45) were also tested. The CEC values were corrected for dry matter content and mass losses during the process. Results indicate that the measured CEC values of the modified method were highly reproducible and that 1 day shaking with NH4OAc and KCl is enough to saturate the exchange sites with NH4+ and subsequently with K+. The biochar to NH4OAc solution ratio did not affect the measured CEC. Three washings with at least 15 ml alcohol are required to remove excess NH4-OAc. We found the CEC of biochar with the displacement method from pigeon pea, corncob, rice husk and cacao shell to be 26.4(±0.3), 19.2(±0.5), 20.5(±0.4), 46.5±(0.2) cmol+/Kg, respectively. The selected batch experiment allows a large sample throughput, less laboratory equipment is needed and shaking ensures better contact between the extracting solution and the exchange sites.

Multiscale approach for the construction of equilibrated all-atom models of a poly(ethylene glycol)-based hydrogel

PubMed Central

Li, Xianfeng; Murthy, N. Sanjeeva; Becker, Matthew L.; Latour, Robert A.

2016-01-01

A multiscale modeling approach is presented for the efficient construction of an equilibrated all-atom model of a cross-linked poly(ethylene glycol) (PEG)-based hydrogel using the all-atom polymer consistent force field (PCFF). The final equilibrated all-atom model was built with a systematic simulation toolset consisting of three consecutive parts: (1) building a global cross-linked PEG-chain network at experimentally determined cross-link density using an on-lattice Monte Carlo method based on the bond fluctuation model, (2) recovering the local molecular structure of the network by transitioning from the lattice model to an off-lattice coarse-grained (CG) model parameterized from PCFF, followed by equilibration using high performance molecular dynamics methods, and (3) recovering the atomistic structure of the network by reverse mapping from the equilibrated CG structure, hydrating the structure with explicitly represented water, followed by final equilibration using PCFF parameterization. The developed three-stage modeling approach has application to a wide range of other complex macromolecular hydrogel systems, including the integration of peptide, protein, and/or drug molecules as side-chains within the hydrogel network for the incorporation of bioactivity for tissue engineering, regenerative medicine, and drug delivery applications. PMID:27013229

Equilibration of experimentally determined protein structures for molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Walton, Emily B.; Vanvliet, Krystyn J.

2006-12-01

Preceding molecular dynamics simulations of biomolecular interactions, the molecule of interest is often equilibrated with respect to an initial configuration. This so-called equilibration stage is required because the input structure is typically not within the equilibrium phase space of the simulation conditions, particularly in systems as complex as proteins, which can lead to artifactual trajectories of protein dynamics. The time at which nonequilibrium effects from the initial configuration are minimized—what we will call the equilibration time—marks the beginning of equilibrium phase-space exploration. Note that the identification of this time does not imply exploration of the entire equilibrium phase space. We have found that current equilibration methodologies contain ambiguities that lead to uncertainty in determining the end of the equilibration stage of the trajectory. This results in equilibration times that are either too long, resulting in wasted computational resources, or too short, resulting in the simulation of molecular trajectories that do not accurately represent the physical system. We outline and demonstrate a protocol for identifying the equilibration time that is based on the physical model of Normal Mode Analysis. We attain the computational efficiency required of large-protein simulations via a stretched exponential approximation that enables an analytically tractable and physically meaningful form of the root-mean-square deviation of atoms comprising the protein. We find that the fitting parameters (which correspond to physical properties of the protein) fluctuate initially but then stabilize for increased simulation time, independently of the simulation duration or sampling frequency. We define the end of the equilibration stage—and thus the equilibration time—as the point in the simulation when these parameters attain constant values. Compared to existing methods, our approach provides the objective identification of the time at which the simulated biomolecule has entered an energetic basin. For the representative protein considered, bovine pancreatic trypsin inhibitor, existing methods indicate a range of 0.2-10ns of simulation until a local minimum is attained. Our approach identifies a substantially narrower range of 4.5-5.5ns , which will lead to a much more objective choice of equilibration time.

Biophase equilibration times.

PubMed

Veng-Pedersen, P; Mandema, J W; Danhof, M

1991-09-01

Various methods for describing how quickly a drug equilibrates at the biophase are proposed. The biophase equilibration time (BET) is the time it takes the biophase drug level to reach a given percentage (p) of its predicted steady state in a drug administration that leads to a steady-state condition. The time to reach biophase equilibrium may be defined as the BET value for p = 95, and the 50% biophase equilibration time is obtained when p = 50. Biophase equilibration profiles (BEPs), obtained by plotting p versus BET, give a dynamic representation of the approach to equilibrium and may serve as an indicator of the rate of drug delivery to the biophase. A pharmacodynamic system analysis method is proposed to determine BETs and BEPs from the biophase conduction function. The approach is demonstrated using pharmacodynamic data from the CNS effect of amobarbital evaluated by an aperiodic analysis of EEG recordings. The relevance of the BET and/or BEP principles in optimal computer-controlled drug infusion, drug design, and evaluation of targeted drug delivery is discussed. Both vascular and extravascular drug administrations are considered in the analysis.

Evaluation of Direct Vapour Equilibration for Stable Isotope Analysis of Plant Water.

NASA Astrophysics Data System (ADS)

Millar, C. B.; McDonnell, J.; Pratt, D.

2017-12-01

The stable isotopes of water (2H and 18O), extracted from plants, have been utilized in a variety of ecohydrological, biogeochemical and climatological studies. The array of methods used to extract water from plants are as varied as the studies themselves. Here we perform a comprehensive inter-method comparison of six plant water extraction techniques: direct vapour equilibration, microwave extraction, two unique versions of cryogenic extraction, centrifugation, and high pressure mechanical squeezing. We applied these methods to four isotopically unique plant portions (heads, stems, leaves and root crown) of spring wheat (Triticum aestivum L.). The spring wheat was grown under controlled conditions with irrigation inputs of a known isotopic composition. Our results show that the methods of extraction return significantly different plant water isotopic signals. Centrifugation, microwave extraction, direct vapour equilibration, and squeezing returned more enriched results. Both cryogenic systems and squeezing returned more depleted results, depending upon the plant portion extracted. While cryogenic extraction is currently the most widely used method in the literature, our results suggest that direct vapor equilibration method outperforms it in terms of accuracy, sample throughput and replicability. More research is now needed with other plant species (especially woody plants) to see how far the findings from this study could be extended.

Laser based water equilibration method for d18O determination of water samples

NASA Astrophysics Data System (ADS)

Mandic, Magda; Smajgl, Danijela; Stoebener, Nils

2017-04-01

Determination of d18O with water equilibration method using mass spectrometers equipped with equilibration unit or Gas Bench is known already for many years. Now, with development of laser spectrometers this extends methods and possibilities to apply different technologies in laboratory but also in the field. The Thermo Scientific™ Delta Ray™ Isotope Ratio Infrared Spectrometer (IRIS) analyzer with the Universal Reference Interface (URI) Connect and Teledyne Cetac ASX-7100 offers high precision and throughput of samples. It employs optical spectroscopy for continuous measurement of isotope ratio values and concentration of carbon dioxide in ambient air, and also for analysis of discrete samples from vials, syringes, bags, or other user-provided sample containers. Test measurements and conformation of precision and accuracy of method determination d18O in water samples were done in Thermo Fisher application laboratory with three lab standards, namely ANST, Ocean II and HBW. All laboratory standards were previously calibrated with international reference material VSMOW2 and SLAP2 to assure accuracy of the isotopic values of the water. With method that we present in this work achieved repeatability and accuracy are 0.16‰ and 0.71‰, respectively, which fulfill requirements of regulatory method for wine and must after equilibration with CO2.

The Use of Phosphate Amendments for Chemical Immobilization of Uranium in Contaminated Soil.

NASA Astrophysics Data System (ADS)

Baker, M.; Coutelot, F.; Seaman, J. C.

2017-12-01

Past Department of Energy (DOE) production of nuclear materials has resulted in uranium (U) contaminated soil and groundwater posing a significant risk to the environment and human health. In situ remediation strategies are typically less expensive and rely on the introduction of chemical additives in order to reduce contaminant migration and ultimately the associated exposure hazard. Phosphate addition to U-contaminated subsurface environments has been proposed as a U remediation strategy. Saturated and unsaturated batch experiments were performed to investigate the ability of three different phosphate source treatments: hydroxyapatite (HA), phytic acid (IP6) and sodium tripolyphosphate (TPP) to chemically immobilize U in contaminated Savannah River Site (SRS) soil (2,040 mg U/kg soil). Amendment treatments ranged from 925 to 4620 mg P /kg soil. Unsaturated test samples were equilibrated for 3 weeks at 60% of the soil's field capacity, followed by pore-water extraction by centrifugation to provide an indication of the remaining mobile U fraction. Saturated batch experiments were equilibrated on an orbital shaker for 30 days under both oxic and anoxic conditions, with aliquots taken at specific intervals for chemical analysis. In the saturated microcosms, HA decreased the mobile U concentration by 98% in both redox environments and at all treatment levels. IP6 and TPP were able to decrease the soluble U concentration at low treatment levels, but tended to release U at higher treatment levels compared to the control. Unsaturated microcosms also showed HA to be the most effective treatment for immobilizing U, but IP6 and TPP were as effective as HA at the lowest treatment level. The limited contaminant immobilization following TPP and IP6 amendments correlated with the dispersion of organic matter and organo-mineral colloids. For both experiment types, TPP and IP6 samples showed a very limited ortho-phosphate (PO4-) in the solution, indicating the slow mineralization of TPP and IP6.

Evaluation of headspace equilibration methods for quantifying greenhouse gases in groundwater.

PubMed

Jahangir, M M R; Johnston, P; Khalil, M I; Grant, J; Somers, C; Richards, K G

2012-11-30

The objective of the study was to evaluate the different headspace equilibration methods for the quantification of dissolved greenhouse gases in groundwater. Groundwater samples were collected from wells with contrasting hydrogeochemical properties and degassed using the headspace equilibration method. One hundred samples from each well were randomly selected, treatments were applied and headspace gases analysed by gas chromatography. Headspace equilibration treatments varied helium (He):water ratio, shaking time and standing time. Mean groundwater N(2)O, CO(2) and CH(4) concentrations were 0.024 mg N L(-1), 13.71 mg C L(-1) and 1.63 μg C L(-1), respectively. All treatments were found to significantly influence dissolved gas concentrations. Considerable differences in the optimal He:water ratio and standing time were observed between the three gases. For N(2)O, CO(2) and CH(4) the optimum operating points for He:water ratio was 4.4:1, 3:1 and 3.4:1; shaking time was 13, 12 and 13 min; and standing time was 63, 17 and 108 min, respectively. The headspace equilibration method needs to be harmonised to ensure comparability between studies. The experiment reveals that He:water ratio 3:1 and shaking time 13 min give better estimation of dissolved gases than any lower or higher ratios and shaking times. The standing time 63, 17 and 108 min should be applied for N(2)O, CO(2) and CH(4), respectively. Copyright © 2012. Published by Elsevier Ltd.

Sorption-desorption of indaziflam in selected agricultural soils.

PubMed

Alonso, Diego G; Koskinen, William C; Oliveira, Rubem S; Constantin, Jamil; Mislankar, Suresh

2011-12-28

Indaziflam, a new alkylazine herbicide that inhibits cellulose biosynthesis, is under current development for soil applications in perennial crops and nonagricultural areas. Sorption and desorption of indaziflam in six soils from Brazil and three soils from the United States, with different physical chemical properties, were investigated using the batch equilibration method. Sorption kinetics demonstrated that soil-solution equilibrium was attained in <24 h. The Freundlich equation described the sorption behavior of the herbicide for all soils (R(2) > 0.99). K(f) values of the Brazilian oxisols ranged from 4.66 to 29.3, and 1/n values were ≥ 0.95. Sorption was positively correlated to %OC and clay contents. U.S. mollisol K(f) values ranged from 6.62 to 14.3; 1/n values for sorption were ≥ 0.92. K(f) values from mollisols were also positively correlated with %OC. These results suggest that indaziflam potential mobility, based solely on its sorption coefficients, would range from moderate to low in soil. Desorption was hysteretic on all soils, further decreasing its potential mobility for offsite transport.

Improvements in the gaseous hydrogen-water equilibration technique for hydrogen isotope ratio analysis

USGS Publications Warehouse

Coplen, T.B.; Wildman, J.D.; Chen, J.

1991-01-01

Improved precision in the H2-H2O equilibration method for ??D analysis has been achieved in an automated system. Reduction in 1-?? standard deviation of a single mass-spectrometer analysis to 1.3??? is achieved by (1) bonding catalyst to glass rods and assigning use to specific equilibration chambers to monitor performance of catalyst, (2) improving the apparatus design, and (3) reducing the H3+ contribution of the mass-spectrometer ion source. For replicate analysis of a water sample, the standard deviation improved to 0.8???. H2S-bearing samples and samples as small as 0.1 mL can be analyzed routinely with this method.

Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chains

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

Sliozberg, Yelena R.; TKC Global, Inc., Aberdeen Proving Ground, Maryland 21005; Kröger, Martin

Equilibrated systems of entangled polymer melts cannot be produced using direct brute force equilibration due to the slow reptation dynamics exhibited by high molecular weight chains. Instead, these dense systems are produced using computational techniques such as Monte Carlo-Molecular Dynamics hybrid algorithms, though the use of soft potentials has also shown promise mainly for coarse-grained polymeric systems. Through the use of soft-potentials, the melt can be equilibrated via molecular dynamics at intermediate and long length scales prior to switching to a Lennard-Jones potential. We will outline two different equilibration protocols, which use various degrees of information to produce the startingmore » configurations. In one protocol, we use only the equilibrium bond angle, bond length, and target density during the construction of the simulation cell, where the information is obtained from available experimental data and extracted from the force field without performing any prior simulation. In the second protocol, we moreover utilize the equilibrium radial distribution function and dihedral angle distribution. This information can be obtained from experimental data or from a simulation of short unentangled chains. Both methods can be used to prepare equilibrated and highly entangled systems, but the second protocol is much more computationally efficient. These systems can be strictly monodisperse or optionally polydisperse depending on the starting chain distribution. Our protocols, which utilize a soft-core harmonic potential, will be applied for the first time to equilibrate a million particle system of polyethylene chains consisting of 1000 united atoms at various temperatures. Calculations of structural and entanglement properties demonstrate that this method can be used as an alternative towards the generation of entangled equilibrium structures.« less

Passive flux meter measurement of water and nutrient flux in saturated porous media: bench-scale laboratory tests.

PubMed

Cho, Jaehyun; Annable, Michael D; Jawitz, James W; Hatfield, Kirk

2007-01-01

The passive nutrient flux meter (PNFM) is introduced for simultaneous measurement of both water and nutrient flux through saturated porous media. The PNFM comprises a porous sorbent pre-equilibrated with a suite of alcohol tracers, which have different partitioning coefficients. Water flux was estimated based on the loss of loaded resident tracers during deployment, while nutrient flux was quantified based on the nutrient solute mass captured on the sorbent. An anionic resin, Lewatit 6328 A, was used as a permeable sorbent and phosphate (PO4(3-)) was the nutrient studied. The phosphate sorption capacity of the resin was measured in batch equilibration tests as 56 mg PO4(3-) g(-1), which was determined to be adequate capacity to retain PO4(3-) loads intercepted over typical PNFM deployment periods in most natural systems. The PNFM design was validated with bench-scale laboratory tests for a range of 9.8 to 28.3 cm d(-1) Darcy velocities and 6 to 43 h deployment durations. Nutrient and water fluxes measured by the PNFM averaged within 6 and 12% of the applied values, respectively, indicating that the PNFM shows promise as a tool for simultaneous measurement of water and nutrient fluxes.

Influence of addition order and contact time on thorium(IV) retention by hematite in the presence of humic acids.

PubMed

Reiller, Pascal; Casanova, Florence; Moulin, Valérie

2005-03-15

The influence of addition order and contact time in the system hematite (alpha-Fe2O3)-humic acid (HA)-thorium(IV) (Th(IV)) was studied in batch experiments. Th(IV) is considered here as a chemical analogue of other actinides (IV). The sorption isotherms were acquired varying pH in the range 2-10 and HA concentration in the range 1-100 mg/L. As already observed by numerous authors, Th(IV) retention was hindered when HA and hematite were equilibrated beforehand during 24 h. As it has been observed in a previous study, this effect was drastic when the ratio between humic and surface (iron oxide) sites exceeds a critical value. However, when HA was added after a 24-h equilibration of the hematite-Th(IV) system, Th(IV) was barely desorbed from the iron oxide surface. Furthermore, no drastic effect of the ratio between humic and surface sites could be evidenced, as the increase of HA concentration only results in a slight monotonic decrease in Th(IV) retention. Increasing contact time between components of the systems only indicated slight Th(IV) retention variation. This was interpreted as a consequence of slow kinetic controls of both the Th(IV)-HA complexation and HA-hematite sorption.

Isotopic exchangeability as a measure of the available fraction of the human pharmaceutical carbamazepine in river sediment.

PubMed

Williams, Mike; Kookana, Rai

2010-08-01

Cabamazepine (CBZ), an antiepileptic pharmaceutical compound, is a pollutant of aquatic ecosystems entering via wastewater treatment plants that is considered to be persistent to degradation. An isotope exchange technique was employed using radiolabelled CBZ as a model compound, to determine the amount of isotopic exchangeability of CBZ in river sediment. The amount of isotopically exchangeable CBZ was used as an estimate of the extent of desorption hysteresis in solution from river sediment, including a treatment where the sediment was amended with black carbon. The isotopically exchangeable CBZ was measured by equilibrating 12C-CBZ with sediment for 0 to 28 days followed by a 24 hour equilibration with 14C-CBZ at the end of the incubation period. The isotopically exchangeable fraction of CBZ decreased over time in the sediment, particularly following amendment with black carbon. This has important implications for the fate of CBZ, which, apart from being resistant to degradation, is constantly released into aquatic ecosystems from wastewater treatment plants. This study demonstrates the availability of a relatively quick and simple alternative to batch desorption techniques for the assessment of the available fraction of organic compounds in sediments following their release into aquatic ecosystems. 2010. Published by Elsevier B.V. All rights reserved.

Experimental considerations in metal mobilization from soil by chelating ligands: The influence of soil-solution ratio and pre-equilibration - A case study on Fe acquisition by phytosiderophores.

PubMed

Schenkeveld, W D C; Kimber, R L; Walter, M; Oburger, E; Puschenreiter, M; Kraemer, S M

2017-02-01

The efficiency of chelating ligands in mobilizing metals from soils and sediments is generally examined under conditions remote from those under which they are exuded or applied in the field. This may lead to incorrect estimations of the mobilizing efficiency. The aim of this study was to establish the influence of the soil solution ratio (SSR) and pre-equilibration with electrolyte solution on metal mobilization and metal displacement. For this purpose a series of interaction experiments with a calcareous clay soil and a biogenic chelating agent, the phytosiderophore 2'-deoxymugineic acid (DMA) were carried out. For a fixed ligand concentration, the SSR had a strong influence on metal mobilization and displacement. Metal complexation was faster at higher SSR. Reactive pools of metals that were predominantly mobilized at SSR 6 (in this case Cu), became depleted at SSR 0.1, whereas metals that were marginally mobilized at SSR 6, were dominantly mobilized at SSR 0.1 (in this case Fe), because of large soil reactive pools. For a fixed "amount of ligand"-to-"amount of soil"-ratio, metal complexation scaled linearly with the SSR. The efficiency of ligands in mobilizing metals under field conditions can be predicted with batch experiments, as long as the ligand-to-soil-ratio is matched. In most previously reported studies this criterion was not met. Equivalent metal-complex concentrations under field conditions can be back-calculated using adsorption isotherms for the respective metal-complexes. Drying and dry storage created labile pools of Fe, Cu and Zn, which were rapidly mobilized upon addition of DMA solution to dry soil. Pre-equilibration decreased these labile pools, leading to smaller concentrations of these metals during initial mobilization, but did not reduce the lag time between ligand addition and onset of microbial degradation of the metal-complexes. Hence SSR and pre-equilibration should be carefully considered when testing the metal mobilizing efficiency of chelating ligands. Copyright © 2016. Published by Elsevier B.V.

Note: A dual temperature closed loop batch reactor for determining the partitioning of trace gases within CO2-water systems.

PubMed

Warr, Oliver; Rochelle, Christopher A; Masters, Andrew J; Ballentine, Christopher J

2016-01-01

An experimental approach is presented which can be used to determine partitioning of trace gases within CO2-water systems. The key advantages of this system are (1) The system can be isolated with no external exchange, making it ideal for experiments with conservative tracers. (2) Both phases can be sampled concurrently to give an accurate composition at each phase at any given time. (3) Use of a lower temperature flow loop outside of the reactor removes contamination and facilitates sampling. (4) Rapid equilibration at given pressure/temperature conditions is significantly aided by stirring and circulating the water phase using a magnetic stirrer and high-pressure liquid chromatography pump, respectively.

A New Method of Estimating Atomic Charges by Electronegativity Equilibration.

ERIC Educational Resources Information Center

Smith, Derek W.

1990-01-01

Presented is a modification of Bratsch's prescription so that difficult problems are obviated while simple, familiar Pauling electronegativities are retained. Discussed are the equilibration of electronegativity in molecules, group electronegativities, coordination compounds and molecules with dative bonds, ions, and correlation with core…

ANALYSES OF FISH TISSUE BY VACUUM DISTILLATION/GAS CHROMATOGRAPHY/MASS SPECTROMETRY

EPA Science Inventory

The analyses of fish tissue using VD/GC/MS with surrogate-based matrix corrections is described. Techniques for equilibrating surrogate and analyte spikes with a tissue matrix are presented, and equilibrated spiked samples are used to document method performance. The removal of a...

Non-Immunogenic Structurally and Biologically Intact Tissue Matrix Grafts for the Immediate Repair of Ballistic-Induced Vascular and Nerve Tissue Injury in Combat Casualty Care

DTIC Science & Technology

2005-07-01

as an access graft is addressed using statistical methods below. Graft consistency can be defined statistically as the variance associated with the...addressed using statistical methods below. Graft consistency can be defined statistically as the variance associated with the sample of grafts tested in...measured using a refractometer (Brix % method). The equilibration data are shown in Graph 1. The results suggest the following equilibration scheme: 40% v/v

Uncertainty and variability in laboratory derived sorption parameters of sediments from a uranium in situ recovery site

NASA Astrophysics Data System (ADS)

Dangelmayr, Martin A.; Reimus, Paul W.; Johnson, Raymond H.; Clay, James T.; Stone, James J.

2018-06-01

This research assesses the ability of a GC SCM to simulate uranium transport under variable geochemical conditions typically encountered at uranium in-situ recovery (ISR) sites. Sediment was taken from a monitoring well at the SRH site at depths 192 and 193 m below ground and characterized by XRD, XRF, TOC, and BET. Duplicate column studies on the different sediment depths, were flushed with synthesized restoration waters at two different alkalinities (160 mg/l CaCO3 and 360 mg/l CaCO3) to study the effect of alkalinity on uranium mobility. Uranium breakthrough occurred 25% - 30% earlier in columns with 360 mg/l CaCO3 over columns fed with 160 mg/l CaCO3 influent water. A parameter estimation program (PEST) was coupled to PHREEQC to derive site densities from experimental data. Significant parameter fittings were produced for all models, demonstrating that the GC SCM approach can model the impact of carbonate on uranium in flow systems. Derived site densities for the two sediment depths were between 141 and 178 μmol-sites/kg-soil, demonstrating similar sorption capacities despite heterogeneity in sediment mineralogy. Model sensitivity to alkalinity and pH was shown to be moderate compared to fitted site densities, when calcite saturation was allowed to equilibrate. Calcite kinetics emerged as a potential source of error when fitting parameters in flow conditions. Fitted results were compared to data from previous batch and column studies completed on sediments from the Smith-Ranch Highland (SRH) site, to assess variability in derived parameters. Parameters from batch experiments were lower by a factor of 1.1 to 3.4 compared to column studies completed on the same sediments. The difference was attributed to errors in solid-solution ratios and the impact of calcite dissolution in batch experiments. Column studies conducted at two different laboratories showed almost an order of magnitude difference in fitted site densities suggesting that experimental methodology may play a bigger role in column sorption behavior than actual sediment heterogeneity. Our results demonstrate the necessity for ISR sites to remove residual pCO2 and equilibrate restoration water with background geochemistry to reduce uranium mobility. In addition, the observed variability between fitted parameters on the same sediments highlights the need to provide standardized guidelines and methodology for regulators and industry when the GC SCM approach is used for ISR risk assessments.

Uncertainty and variability in laboratory derived sorption parameters of sediments from a uranium in situ recovery site.

PubMed

Dangelmayr, Martin A; Reimus, Paul W; Johnson, Raymond H; Clay, James T; Stone, James J

2018-06-01

This research assesses the ability of a GC SCM to simulate uranium transport under variable geochemical conditions typically encountered at uranium in-situ recovery (ISR) sites. Sediment was taken from a monitoring well at the SRH site at depths 192 and 193 m below ground and characterized by XRD, XRF, TOC, and BET. Duplicate column studies on the different sediment depths, were flushed with synthesized restoration waters at two different alkalinities (160 mg/l CaCO 3 and 360 mg/l CaCO 3 ) to study the effect of alkalinity on uranium mobility. Uranium breakthrough occurred 25% - 30% earlier in columns with 360 mg/l CaCO 3 over columns fed with 160 mg/l CaCO 3 influent water. A parameter estimation program (PEST) was coupled to PHREEQC to derive site densities from experimental data. Significant parameter fittings were produced for all models, demonstrating that the GC SCM approach can model the impact of carbonate on uranium in flow systems. Derived site densities for the two sediment depths were between 141 and 178 μmol-sites/kg-soil, demonstrating similar sorption capacities despite heterogeneity in sediment mineralogy. Model sensitivity to alkalinity and pH was shown to be moderate compared to fitted site densities, when calcite saturation was allowed to equilibrate. Calcite kinetics emerged as a potential source of error when fitting parameters in flow conditions. Fitted results were compared to data from previous batch and column studies completed on sediments from the Smith-Ranch Highland (SRH) site, to assess variability in derived parameters. Parameters from batch experiments were lower by a factor of 1.1 to 3.4 compared to column studies completed on the same sediments. The difference was attributed to errors in solid-solution ratios and the impact of calcite dissolution in batch experiments. Column studies conducted at two different laboratories showed almost an order of magnitude difference in fitted site densities suggesting that experimental methodology may play a bigger role in column sorption behavior than actual sediment heterogeneity. Our results demonstrate the necessity for ISR sites to remove residual pCO2 and equilibrate restoration water with background geochemistry to reduce uranium mobility. In addition, the observed variability between fitted parameters on the same sediments highlights the need to provide standardized guidelines and methodology for regulators and industry when the GC SCM approach is used for ISR risk assessments. Copyright © 2018 Elsevier B.V. All rights reserved.

Note: A dual temperature closed loop batch reactor for determining the partitioning of trace gases within CO{sub 2}-water systems

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

Warr, Oliver, E-mail: oliver.warr@earth.ox.ac.uk; Ballentine, Christopher J.; Rochelle, Christopher A.

An experimental approach is presented which can be used to determine partitioning of trace gases within CO{sub 2}-water systems. The key advantages of this system are (1) The system can be isolated with no external exchange, making it ideal for experiments with conservative tracers. (2) Both phases can be sampled concurrently to give an accurate composition at each phase at any given time. (3) Use of a lower temperature flow loop outside of the reactor removes contamination and facilitates sampling. (4) Rapid equilibration at given pressure/temperature conditions is significantly aided by stirring and circulating the water phase using a magneticmore » stirrer and high-pressure liquid chromatography pump, respectively.« less

Low temperature-pressure batch experiments and field push-pull tests: Assessing potential effects of an unintended CO2 release from CCUS projects on groundwater chemistry

NASA Astrophysics Data System (ADS)

Mickler, P. J.; Yang, C.; Lu, J.; Reedy, R. C.; Scanlon, B. R.

2012-12-01

Carbon Capture Utilization and Storage projects (CCUS), where CO2 is captured at point sources such as power stations and compressed into a supercritical liquid for underground storage, has been proposed to reduce atmospheric CO2 and mitigate global climate change. Problems may arise from CO2 releases along discreet pathways such as abandoned wells and faults, upwards and into near surface groundwater. Migrating CO2 may inversely impact fresh water resources by increasing mineral solubility and dissolution rates and mobilizing harmful trace elements including As and Pb. This study addresses the impacts on fresh water resources through a combination of laboratory batch experiments, where aquifer sediment are reacted in their corresponding groundwater in 100% CO2 environments, and field push-pull tests where groundwater is equilibrated with 100% CO2, reacted in-situ in the groundwater system, and pulled out for analyses. Batch experiments were performed on aquifer material from carbonate dominated, mixed carbonate/silicalstic, and siliclastic dominated systems. A mixed silicalstic/carbonate system was chosen for the field based push-pull test. Batch experiment results suggest carbonate dissolution increased the concentration of Ca, Mg, Sr, Ba, Mn, U and HCO3- in groundwater. In systems with significant carbonate content, dissolution continued until carbonate saturation was achieved at approximately 1000 hr. Silicate dissolution increased the conc. of Si, K Ni and Co, but at much lower rates than carbonate dissolution. The elements As, Mo, V, Zn, Se and Cd generally show similar behavior where concentrations initially increase but soon drop to levels at or below the background concentrations (~48 hours). A Push-Pull test on one aquifer system produced similar geochemical behavior but observed reaction rates are higher in batch experiments relative to push-pull tests. Release of CO2 from CCUS sites into overlying aquifer systems may adversely impact groundwater quality primarily through carbonate dissolution which releases Ca and elements that substitute for Ca in crystal lattices. Silicate weathering releases primarily Si and K at lower rates. Chemical changes with the addition of CO2 may initially mobilize As, Mo, V, Zn, Se and Cd but these elements become immobile in the lowered pH water and sorb onto aquifer minerals. A combined laboratory batch experiment and field push-pull test in fresh water aquifers overlying CCUS projects will best characterize the response of the aquifer to increased pCO2. The long experimental duration of the batch experiments may allow reactions to reach equilibrium however; reaction rates may be artificially high due to increased mineral surface areas. Field based push-pull tests offer a more realistic water rock ratio and test a much larger volume of aquifer material but the test must be shorter in duration because the high pCO2 water is subject to mixing with low pCO2 background water and migration away from the test well with groundwater flow. A comparison of the two methods best characterizes the potential effects on groundwater chemistry

Development of a pre-concentration system and auto-analyzer for dissolved methane, ethane, propane, and butane concentration measurements with a GC-FID

NASA Astrophysics Data System (ADS)

Chepigin, A.; Leonte, M.; Colombo, F.; Kessler, J. D.

2014-12-01

Dissolved methane, ethane, propane, and butane concentrations in natural waters are traditionally measured using a headspace equilibration technique and gas chromatograph with flame ionization detector (GC-FID). While a relatively simple technique, headspace equilibration suffers from slow equilibration times and loss of sensitivity due to concentration dilution with the pure gas headspace. Here we present a newly developed pre-concentration system and auto-analyzer for use with a GC-FID. This system decreases the time required for each analysis by eliminating the headspace equilibration time, increases the sensitivity and precision with a rapid pre-concentration step, and minimized operator time with an autoanalyzer. In this method, samples are collected from Niskin bottles in newly developed 1 L plastic sample bags rather than glass vials. Immediately following sample collection, the sample bags are placed in an incubator and individually connected to a multiport sampling valve. Water is pumped automatically from the desired sample bag through a small (6.5 mL) Liqui-Cel® membrane contactor where the dissolved gas is vacuum extracted and directly flushed into the GC sample loop. The gases of interest are preferentially extracted with the Liqui-Cel and thus a natural pre-concentration effect is obtained. Daily method calibration is achieved in the field with a five-point calibration curve that is created by analyzing gas standard-spiked water stored in 5 L gas-impermeable bags. Our system has been shown to substantially pre-concentrate the dissolved gases of interest and produce a highly linear response of peak areas to dissolved gas concentration. The system retains the high accuracy, precision, and wide range of measurable concentrations of the headspace equilibration method while simultaneously increasing the sensitivity due to the pre-concentration step. The time and labor involved in the headspace equilibration method is eliminated and replaced with the immediate and automatic analysis of a maximum of 13 sequential samples. The elapsed time between sample collection and analysis is reduced from approximately 12 hrs to < 10 min, enabling dynamic and highly resolved sampling plans.

Production Methods in Industrial Microbiology.

ERIC Educational Resources Information Center

Gaden, Elmer L., Jr.

1981-01-01

Compares two methods (batch and continuous) in which microorganisms are used to produce industrial chemicals. Describes batch and continuous stirred-tank reactors and offers reasons why the batch method may be preferred. (JN)

Surface area dependence of calcium isotopic reequilibration in carbonates: Implications for isotopic signatures in the weathering zone

NASA Astrophysics Data System (ADS)

Fernandez, N. M.; Druhan, J. L.; Potrel, A.; Jacobson, A. D.

2016-12-01

The concept of dynamic equilibrium carries the implicit assumption of continued isotopic exchange between a mineral and the surrounding fluid. While this effect has received much attention in the marine paleoproxy literature, it has been relatively overlooked in application to the terrestrial environment. In weathering systems, a potential consequence is that rapid reequilibration may alter or erase isotopic signatures generated during secondary mineral formation. The extent and timescale over which isotopic signatures are reset in these hydrologic systems is unknown. Using reactive transport modeling, we show isotopic reequilibration under conditions reflecting terrestrial hydrologic settings to be significant and dependent on the reactive surface area of the solid. In particular, we suggest that the non-traditional stable isotopes commonly used in application to carbonates (e.g., Ca, Mg, Sr) are sensitive to these effects due to their rapid reaction rates. We aim to characterize the dependence of Ca isotopic reequilibration on surface area during calcite precipitation via batch experiments conducted at ambient temperature over 48-hour time periods. Calcite precipitation was performed in a closed batch reactor utilizing a controlled free-drift method. The batch reactors contained mixed supersaturated solutions of CaCl2 and NaHCO3 at an initial pH of 8.54. Precipitation was initiated by seed inoculation of calcite crystals with two distinct, pre-constrained surface areas. All experiments achieved the same final state of chemical equilibrium, but as expected, the fastest approach to equilibrium occurred for experiments employing calcite seeds with the highest surface area. This implies that differences in equilibrated Ca isotope ratios (δ44/40Ca) should reflect differences in surface area. This prediction is upheld by models of the experiments, indicating a measureable difference in δ44Ca during calcite precipitation where the higher surface area corresponds to lower δ44Ca values and a faster approach to isotopic equilibrium. The dependence of δ44Ca resetting on calcite surface areas has broad ramifications for tracing carbonate weathering in the Critical Zone.

Core-shell Fe3O4 polydopamine nanoparticles as sorbent for magnetic dispersive solid-phase extraction of copper from food samples.

PubMed

Yavuz, Emre; Tokalıoğlu, Şerife; Patat, Şaban

2018-10-15

In the present study, core-shell Fe 3 O 4 polydopamine nanoparticles were synthesized and used for the first time as an adsorbent for the vortex assisted magnetic dispersive solid phase extraction of copper from food samples. After elution, copper in the solutions was determined by FAAS. The adsorbent was characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller surface area, and zeta potential measurements. Various parameters affecting the magnetic dispersive solid-phase extraction were evaluated. The optimum pH and magnetic adsorbent amount were found to be 5 and 40 mg, respectively. Elution was made by 3 mL of 2 mol L -1 HNO 3 .The major advantage of the method is the fast equilibration during adsorption without the need for vortexing or shaking. The preconcentration factor and detection limit of the method were found to be 150 and 0.22 mg L -1 , respectively. The precision (as RSD%) and adsorption capacity of the method were 3.7% and 28 mg g -1 , respectively. The method was successfully verified by analyzing four certified reference materials (SPS-WW1 Batch 114 Wastewater, TMDA-53.3 Lake water, BCR-482 Lichen and 1573a Tomato Leaves) and by addition/recovery tests of copper standard solution in organic baby food, muesli, macaroni, honey, and milk samples. Copyright © 2018 Elsevier Ltd. All rights reserved.

Application of zeolitic material synthesized from thermally treated sediment to the removal of trivalent chromium from wastewater.

PubMed

Guan, Qingyu; Wu, Deyi; Lin, Yan; Chen, Xuechu; Wang, Xinze; Li, Chunjie; He, Shengbing; Kong, Hainan

2009-08-15

Zeolitic materials were synthesized from thermally treated sediment by alkali treatment using different NaOH/sediment ratios. Characterization of the materials was done by XRD, FTIR, cation exchange capacity and specific surface area. Use of high NaOH/sediment ratio favored the formation of zeolite. The potential value of the zeolitic materials for the retention of trivalent chromium from water was examined. The maximum of Cr(III) sorption by the zeolitic materials, determined by a repeated batch equilibration method, ranged from 38.9 to 75.8 mg/g which was much greater than that of the thermally treated sediment (6.3 mg/g). No release of sorbed Cr(III) by 1.0M MgCl(2) at pH 7 was observed but Cr(III) desorption by ionic electrolyte increased with decreasing pH. The zeolitic materials could completely remove Cr(III) from wastewater even in the presence of Na(+) and Ca(2+) with high concentrations with a dose above 2.5 g/L. The pH-dependent desorption behavior and the high selectivity of zeolitic material for Cr(III) were explained by sorption at surface hydroxyl sites and formation of surface precipitates.

The application and properties of composite sorbents of inorganic ion exchangers and polyacrylonitrile binding matrix.

PubMed

Nilchi, A; Khanchi, A; Atashi, H; Bagheri, A; Nematollahi, L

2006-10-11

A description is given of the preparation and properties of potassium hexacyanocobalt (II) ferrate (II) (KCFC) and the composite, potassium hexacyanocobalt (II) ferrate (II)-polyacrylonitrile (KCFC-PAN). The materials were dried at high temperatures and characterized by chemical analysis, scanning electron microscope, X-ray diffraction, inductively coupled plasma and infrared. The ion exchange of alkaline earth metals and molybdenum on a nonstoichiometric compound K(2)[CoFe(CN)(6)] and its PAN based absorber was examined by batch methods. The adsorption of molybdenum from aqueous solutions on KCFC-PAN was investigated and optimized as a function of equilibration time and pH. The materials which were dried at optimum high temperature of 110 degrees C were found to be stable in water, dilute acids, alkaline solutions and relatively high temperature. The distribution coefficient values K(d) for alkaline earth metals, followed the same trend of increase for both sets of absorbers studied, i.e. Ba(2+)>Sr(2+)>Ca(2+)>Mg(2+), which closely resembles to the order of the size of the hydrated cations. However, the K(d) values show a significant increase for PAN based absorbers in comparison to KCFC absorbers.

The Construction and Validation of All-Atom Bulk-Phase Models of Amorphous Polymers Using the TIGER2/TIGER3 Empirical Sampling Method

PubMed Central

Li, Xianfeng; Murthy, Sanjeeva; Latour, Robert A.

2011-01-01

A new empirical sampling method termed “temperature intervals with global exchange of replicas and reduced radii” (TIGER3) is presented and demonstrated to efficiently equilibrate entangled long-chain molecular systems such as amorphous polymers. The TIGER3 algorithm is a replica exchange method in which simulations are run in parallel over a range of temperature levels at and above a designated baseline temperature. The replicas sampled at temperature levels above the baseline are run through a series of cycles with each cycle containing four stages – heating, sampling, quenching, and temperature level reassignment. The method allows chain segments to pass through one another at elevated temperature levels during the sampling stage by reducing the van der Waals radii of the atoms, thus eliminating chain entanglement problems. Atomic radii are then returned to their regular values and re-equilibrated at elevated temperature prior to quenching to the baseline temperature. Following quenching, replicas are compared using a Metropolis Monte Carlo exchange process for the construction of an approximate Boltzmann-weighted ensemble of states and then reassigned to the elevated temperature levels for additional sampling. Further system equilibration is performed by periodic implementation of the previously developed TIGER2 algorithm between cycles of TIGER3, which applies thermal cycling without radii reduction. When coupled with a coarse-grained modeling approach, the combined TIGER2/TIGER3 algorithm yields fast equilibration of bulk-phase models of amorphous polymer, even for polymers with complex, highly branched structures. The developed method was tested by modeling the polyethylene melt. The calculated properties of chain conformation and chain segment packing agreed well with published data. The method was also applied to generate equilibrated structural models of three increasingly complex amorphous polymer systems: poly(methyl methacrylate), poly(butyl methacrylate), and DTB-succinate copolymer. Calculated glass transition temperature (Tg) and structural parameter profile (S(q)) for each resulting polymer model were found to be in close agreement with experimental Tg values and structural measurements obtained by x-ray diffraction, thus validating that the developed methods provide realistic models of amorphous polymer structure. PMID:21769156

Origin of the Powai ankaramite, and the composition, P-T conditions of equilibration and evolution of the primary magmas of the Deccan tholeiites

NASA Astrophysics Data System (ADS)

Chatterjee, Nilanjan; Sheth, Hetu

2015-03-01

The Powai ankaramite flow from Mumbai, western Deccan Traps, contains abundant crystals of augite (En59-47Fs10-14Wo27-42, 22-40 modal %, 3-5 mm) and olivine (Fo84-74, 11-16 modal %, 1-2 mm), and minor plagioclase (An71, ~0.5 mm) embedded in a fine-grained matrix. Minor orthopyroxene (En79-77Fs16-19Wo5-4) with irregular and embayed margins is mantled by thick augite overgrowth rims. The Fe-Mg distribution between the large crystals and bulk rock shows disequilibrium, indicating that the ankaramite is a cumulate rock. The ankaramite probably formed by the intrusion of tholeiitic melt into a cumulate pile with olivine, augite, and orthopyroxene left by the crystallization of earlier magmas, resulting in orthopyroxene dissolution and subsequent precipitation of augite. Olivine-hosted melt inclusions and melts represented by the ankaramite groundmass and some associated tholeiitic dikes are multiply saturated with olivine + plagioclase + clinopyroxene at ≤6 kb according to phase equilibrium constraints. Calculations involving incremental addition of equilibrium phases to these melts and to the common aphyric tholeiites of the voluminous Ambenali and Mahabaleshwar Formations show that their primary magmas (wt% SiO2: 48-50, MgO: 9.8-11.8, and FeO: 7.2-7.9, and Mg# 70-74) last equilibrated with spinel lherzolite at ~8-13 kb (~30-49 km depths) and ~1268-1332 °C, and trace element considerations indicate ≤15 % batch melting of mantle. These tholeiitic primary magmas then underwent olivine gabbro fractionation in upper crustal magma chambers at depths ≤23 km. The minimum depth of equilibration of the primary magmas is shallower than the present-day Moho in the Mumbai area based on seismological data, indicating localized mantle upwelling and lower crustal interactions previously inferred from the Nd-Sr isotopic ratios and other geochemical characteristics of the ankaramite and associated tholeiites.

Dynamic equilibration of airway smooth muscle contraction during physiological loading.

PubMed

Latourelle, Jeanne; Fabry, Ben; Fredberg, Jeffrey J

2002-02-01

Airway smooth muscle contraction is the central event in acute airway narrowing in asthma. Most studies of isolated muscle have focused on statically equilibrated contractile states that arise from isometric or isotonic contractions. It has recently been established, however, that muscle length is determined by a dynamically equilibrated state of the muscle in which small tidal stretches associated with the ongoing action of breathing act to perturb the binding of myosin to actin. To further investigate this phenomenon, we describe in this report an experimental method for subjecting isolated muscle to a dynamic microenvironment designed to closely approximate that experienced in vivo. Unlike previous methods that used either time-varying length control, force control, or time-invariant auxotonic loads, this method uses transpulmonary pressure as the controlled variable, with both muscle force and muscle length free to adjust as they would in vivo. The method was implemented by using a servo-controlled lever arm to load activated airway smooth muscle strips with transpulmonary pressure fluctuations of increasing amplitude, simulating the action of breathing. The results are not consistent with classical ideas of airway narrowing, which rest on the assumption of a statically equilibrated contractile state; they are consistent, however, with the theory of perturbed equilibria of myosin binding. This experimental method will allow for quantitative experimental evaluation of factors that were previously outside of experimental control, including sensitivity of muscle length to changes of tidal volume, changes of lung volume, shape of the load characteristic, loss of parenchymal support and inflammatory thickening of airway wall compartments.

An exploration of the relationship between adsorption and bioavailability of pesticides in soil to earthworm.

PubMed

Yu, Yun Long; Wu, Xiao Mao; Li, Shao Nan; Fang, Hua; Zhan, Hai Yan; Yu, Jing Quan

2006-06-01

A study was conducted to determine the adsorption/desorption of butachlor, myclobutanil and chlorpyrifos on five soils using a batch equilibration technique and to study the relationship between bioavailability to Allolobophora caliginosa and the adsorption/desorption of these three pesticides. The results showed that the adsorption/desorption processes of the tested compounds were mainly controlled by soil organic matter content (OM) and octanol/water-partitioning coefficient (K(ow)), and that the bioavailability of the pesticides was dependent on characteristics of pesticides, properties of soils, and uptake routes of earthworms. Bioconcentration of butachlor and myclobutanil was negatively correlated with Freundlich adsorption constant K(af) and K(df). However, only a slightly positive correlation between bioconcentration and K(af) and K(df) was observed for chlorpyrifos due to its high affinity onto soil.

Evaluation of alternative filter media for particulate matter emission testing of residential wood heating devices

DOE PAGES

Allen, George; Rector, Lisa; Butcher, Thomas; ...

2017-07-31

The performance of Teflon-coated glass fiber filter media (Pallflex Emfab TX40) is evaluated for particulate matter (PM) sampling of residential wood heating devices in a dilution tunnel. Thirty samples of varying duration and PM loading and concentration were collected from an U.S. Environmental Protection Agency (EPA) Method 28 dilution tunnel using dual Method 5G sample trains with untreated glass fiber and Emfab filters. Filters were weighed soon after the end of sampling and again the next day after equilibration at 35% relative humidity (RH). PM concentrations from both types of filters agreed very well with 1-day equilibration, demonstrating that Emfabmore » filters are appropriate for use in measuring PM from residential wood burning appliances in a dilution tunnel and have performance equal to or better than the glass fiber filter media. Agreement between filter media without equilibration was erratic, with PM from glass fiber filter samples varying from slightly less than the Emfab samples to as much as 2.8 times higher. Some of the glass fiber filters lost substantial mass with equilibration, with the highest percent loss at lower filter mass loadings. Mass loss for Emfab samples was a small percentage of the mass and very consistent across the range of mass loadings. Taken together, these results may indicate water uptake on the glass fiber media that is readily removed with 1-day equilibration at moderate RH conditions. Implications: EPA regulations now allow the use of either glass fiber or Teflon filter media for wood appliance PM emission testing. Teflon filter media minimizes the potential for acid-gas PM artifacts on glass fiber filters; this is important as EPA moves toward the use of locally sourced cordwood for testing that may have higher sulfur content. This work demonstrates that the use of Teflon-coated glass fiber filters can give similar PM measurement results to glass fiber filters after 1 day of equilibration. With no equilibration, measured PM from glass fiber filters was usually higher than from Teflon-coated glass fiber filters.« less

Evaluation of alternative filter media for particulate matter emission testing of residential wood heating devices

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

Allen, George; Rector, Lisa; Butcher, Thomas

The performance of Teflon-coated glass fiber filter media (Pallflex Emfab TX40) is evaluated for particulate matter (PM) sampling of residential wood heating devices in a dilution tunnel. Thirty samples of varying duration and PM loading and concentration were collected from an U.S. Environmental Protection Agency (EPA) Method 28 dilution tunnel using dual Method 5G sample trains with untreated glass fiber and Emfab filters. Filters were weighed soon after the end of sampling and again the next day after equilibration at 35% relative humidity (RH). PM concentrations from both types of filters agreed very well with 1-day equilibration, demonstrating that Emfabmore » filters are appropriate for use in measuring PM from residential wood burning appliances in a dilution tunnel and have performance equal to or better than the glass fiber filter media. Agreement between filter media without equilibration was erratic, with PM from glass fiber filter samples varying from slightly less than the Emfab samples to as much as 2.8 times higher. Some of the glass fiber filters lost substantial mass with equilibration, with the highest percent loss at lower filter mass loadings. Mass loss for Emfab samples was a small percentage of the mass and very consistent across the range of mass loadings. Taken together, these results may indicate water uptake on the glass fiber media that is readily removed with 1-day equilibration at moderate RH conditions. Implications: EPA regulations now allow the use of either glass fiber or Teflon filter media for wood appliance PM emission testing. Teflon filter media minimizes the potential for acid-gas PM artifacts on glass fiber filters; this is important as EPA moves toward the use of locally sourced cordwood for testing that may have higher sulfur content. This work demonstrates that the use of Teflon-coated glass fiber filters can give similar PM measurement results to glass fiber filters after 1 day of equilibration. With no equilibration, measured PM from glass fiber filters was usually higher than from Teflon-coated glass fiber filters.« less

The Perils of Partition: Difficulties in Retrieving Magma Compositions from Chemically Equilibrated Basaltic Meteorites

NASA Technical Reports Server (NTRS)

Treiman, Allan H.

1996-01-01

The chemical compositions of magmas can be derived from the compositions of their equilibrium minerals through mineral/magma partition coefficients. This method cannot be applied safely to basaltic rocks, either solidified lavas or cumulates, which have chemically equilibrated or partially equilibrated at subsolidus temperatures, i.e., in the absence of magma. Applying mineral/ melt partition coefficients to mineral compositions from such rocks will typically yield 'magma compositions' that are strongly fractionated and unreasonably enriched in incompatible elements (e.g., REE's). In the absence of magma, incompatible elements must go somewhere; they are forced into minerals (e.g., pyroxenes, plagioclase) at abundance levels far beyond those established during normal mineral/magma equilibria. Further, using mineral/magma partition coefficients with such rocks may suggest that different minerals equilibrated with different magmas, and the fractionation sequence of those melts (i.e., enrichment in incompatible elements) may not be consistent with independent constraints on the order of crystallization. Subsolidus equilibration is a reasonable cause for incompatible- element-enriched minerals in some eucrites, diogenites, and martian meteorites and offers a simple alternative to petrogenetic schemes involving highly fractionated magmas or magma infiltration metasomatism.

Influence of Multidimensionality on Convergence of Sampling in Protein Simulation

NASA Astrophysics Data System (ADS)

Metsugi, Shoichi

2005-06-01

We study the problem of convergence of sampling in protein simulation originating in the multidimensionality of protein’s conformational space. Since several important physical quantities are given by second moments of dynamical variables, we attempt to obtain the time of simulation necessary for their sufficient convergence. We perform a molecular dynamics simulation of a protein and the subsequent principal component (PC) analysis as a function of simulation time T. As T increases, PC vectors with smaller amplitude of variations are identified and their amplitudes are equilibrated before identifying and equilibrating vectors with larger amplitude of variations. This sequential identification and equilibration mechanism makes protein simulation a useful method although it has an intrinsic multidimensional nature.

Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping.

PubMed

Ohkuma, Takahiro; Kremer, Kurt; Daoulas, Kostas

2018-05-02

Understanding properties of polymer alloys with computer simulations frequently requires equilibration of samples comprised of microscopically described long molecules. We present the extension of an efficient hierarchical backmapping strategy, initially developed for homopolymer melts, to equilibrate high-molecular-weight binary blends. These mixtures present significant interest for practical applications and fundamental polymer physics. In our approach, the blend is coarse-grained into models representing polymers as chains of soft blobs. Each blob stands for a subchain with N b microscopic monomers. A hierarchy of blob-based models with different resolution is obtained by varying N b . First the model with the largest N b is used to obtain an equilibrated blend. This configuration is sequentially fine-grained, reinserting at each step the degrees of freedom of the next in the hierarchy blob-based model. Once the blob-based description is sufficiently detailed, the microscopic monomers are reinserted. The hard excluded volume is recovered through a push-off procedure and the sample is re-equilibrated with molecular dynamics (MD), requiring relaxation on the order of the entanglement time. For the initial method development we focus on miscible blends described on microscopic level through a generic bead-spring model, which reproduces hard excluded volume, strong covalent bonds, and realistic liquid density. The blended homopolymers are symmetric with respect to molecular architecture and liquid structure. To parameterize the blob-based models and validate equilibration of backmapped samples, we obtain reference data from independent hybrid simulations combining MD and identity exchange Monte Carlo moves, taking advantage of the symmetry of the blends. The potential of the backmapping strategy is demonstrated by equilibrating blend samples with different degree of miscibility, containing 500 chains with 1000 monomers each. Equilibration is verified by comparing chain conformations and liquid structure in backmapped blends with the reference data. Possible directions for further methodological developments are discussed.

Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping

NASA Astrophysics Data System (ADS)

Ohkuma, Takahiro; Kremer, Kurt; Daoulas, Kostas

2018-05-01

Understanding properties of polymer alloys with computer simulations frequently requires equilibration of samples comprised of microscopically described long molecules. We present the extension of an efficient hierarchical backmapping strategy, initially developed for homopolymer melts, to equilibrate high-molecular-weight binary blends. These mixtures present significant interest for practical applications and fundamental polymer physics. In our approach, the blend is coarse-grained into models representing polymers as chains of soft blobs. Each blob stands for a subchain with N b microscopic monomers. A hierarchy of blob-based models with different resolution is obtained by varying N b. First the model with the largest N b is used to obtain an equilibrated blend. This configuration is sequentially fine-grained, reinserting at each step the degrees of freedom of the next in the hierarchy blob-based model. Once the blob-based description is sufficiently detailed, the microscopic monomers are reinserted. The hard excluded volume is recovered through a push-off procedure and the sample is re-equilibrated with molecular dynamics (MD), requiring relaxation on the order of the entanglement time. For the initial method development we focus on miscible blends described on microscopic level through a generic bead-spring model, which reproduces hard excluded volume, strong covalent bonds, and realistic liquid density. The blended homopolymers are symmetric with respect to molecular architecture and liquid structure. To parameterize the blob-based models and validate equilibration of backmapped samples, we obtain reference data from independent hybrid simulations combining MD and identity exchange Monte Carlo moves, taking advantage of the symmetry of the blends. The potential of the backmapping strategy is demonstrated by equilibrating blend samples with different degree of miscibility, containing 500 chains with 1000 monomers each. Equilibration is verified by comparing chain conformations and liquid structure in backmapped blends with the reference data. Possible directions for further methodological developments are discussed.

Batch effects in single-cell RNA-sequencing data are corrected by matching mutual nearest neighbors.

PubMed

Haghverdi, Laleh; Lun, Aaron T L; Morgan, Michael D; Marioni, John C

2018-06-01

Large-scale single-cell RNA sequencing (scRNA-seq) data sets that are produced in different laboratories and at different times contain batch effects that may compromise the integration and interpretation of the data. Existing scRNA-seq analysis methods incorrectly assume that the composition of cell populations is either known or identical across batches. We present a strategy for batch correction based on the detection of mutual nearest neighbors (MNNs) in the high-dimensional expression space. Our approach does not rely on predefined or equal population compositions across batches; instead, it requires only that a subset of the population be shared between batches. We demonstrate the superiority of our approach compared with existing methods by using both simulated and real scRNA-seq data sets. Using multiple droplet-based scRNA-seq data sets, we demonstrate that our MNN batch-effect-correction method can be scaled to large numbers of cells.

A Model-based B2B (Batch to Batch) Control for An Industrial Batch Polymerization Process

NASA Astrophysics Data System (ADS)

Ogawa, Morimasa

This paper describes overview of a model-based B2B (batch to batch) control for an industrial batch polymerization process. In order to control the reaction temperature precisely, several methods based on the rigorous process dynamics model are employed at all design stage of the B2B control, such as modeling and parameter estimation of the reaction kinetics which is one of the important part of the process dynamics model. The designed B2B control consists of the gain scheduled I-PD/II2-PD control (I-PD with double integral control), the feed-forward compensation at the batch start time, and the model adaptation utilizing the results of the last batch operation. Throughout the actual batch operations, the B2B control provides superior control performance compared with that of conventional control methods.

Correcting for batch effects in case-control microbiome studies

PubMed Central

Gibbons, Sean M.; Duvallet, Claire

2018-01-01

High-throughput data generation platforms, like mass-spectrometry, microarrays, and second-generation sequencing are susceptible to batch effects due to run-to-run variation in reagents, equipment, protocols, or personnel. Currently, batch correction methods are not commonly applied to microbiome sequencing datasets. In this paper, we compare different batch-correction methods applied to microbiome case-control studies. We introduce a model-free normalization procedure where features (i.e. bacterial taxa) in case samples are converted to percentiles of the equivalent features in control samples within a study prior to pooling data across studies. We look at how this percentile-normalization method compares to traditional meta-analysis methods for combining independent p-values and to limma and ComBat, widely used batch-correction models developed for RNA microarray data. Overall, we show that percentile-normalization is a simple, non-parametric approach for correcting batch effects and improving sensitivity in case-control meta-analyses. PMID:29684016

[Identification of the authentic quality of Longdanxiegan pill by systematic quantified fingerprint method based on three wavelength fusion chromatogram].

PubMed

Sun, Guoxiang; Zhang, Jingxian

2009-05-01

The three wavelength fusion high performance liquid chromatographic fingerprin (TWFFP) of Longdanxiegan pill (LDXGP) was established to identify the quality of LDXGP by the systematic quantified fingerprint method. The chromatographic fingerprints (CFPs) of the 12 batches of LDXGP were determined by reversed-phase high performance liquid chromatography. The technique of multi-wavelength fusion fingerprint was applied during processing the fingerprints. The TWFFPs containing 63 co-possessing peaks were obtained when choosing baicalin peak as the referential peak. The 12 batches of LDXGP were identified with hierarchical clustering analysis by using macro qualitative similarity (S(m)) as the variable. According to the results of classification, the referential fingerprint (RFP) was synthesized from 10 batches of LDXGP. Taking the RFP for the qualified model, all the 12 batches of LDXGP were evaluated by the systematic quantified fingerprint method. Among the 12 batches of LDXGP, 9 batches were completely qualified, the contents of 1 batch were obviously higher while the chemical constituents quantity and distributed proportion in 2 batches were not qualified. The systematic quantified fingerprint method based on the technique of multi-wavelength fusion fingerprint ca effectively identify the authentic quality of traditional Chinese medicine.

In-situ regeneration of saturated granular activated carbon by an iron oxide nanocatalyst.

PubMed

Chiu, Chao-An; Hristovski, Kiril; Huling, Scott; Westerhoff, Paul

2013-03-15

Granular activated carbon (GAC) can remove trace organic pollutants and natural organic matter (NOM) from industrial and municipal waters. This paper evaluates an iron nanocatalyst approach, based on Fenton-like oxidation reactions, to regenerate spent GAC within a packed bed configuration after saturation by organic compounds. Specifically, we focus on regenerating GAC packed beds equilibrated with varying influent concentrations of phenol, a model organic compound. Iron nanocatalysts were synthesized using ferric chloride, a chemical already used as a coagulant at municipal WTPs, and reacted with hydrogen peroxide (H(2)O(2)) for the purpose of in-situ regeneration. Up to 95% of phenol adsorption capacity was regenerated for GAC equilibrated with 1000 mg/L of phenol. Using this technique, at least four adsorption-regeneration cycles can be performed sequentially for the same batch of GAC with fresh iron nanocatalysts while achieving a regeneration efficiency of 90 ± 5% between each loading. Moreover, the iron nanocatalyst can be recovered and reused multiple times. Lower initial adsorbate concentrations (10-500 mg/L) resulted in a slightly lower saturated adsorbent-phase concentration of phenol and lower regeneration efficiencies (72 ± 5%). Additionally, this catalytic in-situ regeneration was applied to GAC saturated by NOM. A slightly lower regeneration efficiency (60%) was observed for the Suwannee River NOM adsorption capacity of GAC. The next step is validation in a pilot-scale test that applies this regeneration technique to a GAC adsorber employed in NOM removal. Copyright © 2012 Elsevier Ltd. All rights reserved.

Methods that remove batch effects while retaining group differences may lead to exaggerated confidence in downstream analyses

PubMed Central

Nygaard, Vegard; Rødland, Einar Andreas; Hovig, Eivind

2016-01-01

Removal of, or adjustment for, batch effects or center differences is generally required when such effects are present in data. In particular, when preparing microarray gene expression data from multiple cohorts, array platforms, or batches for later analyses, batch effects can have confounding effects, inducing spurious differences between study groups. Many methods and tools exist for removing batch effects from data. However, when study groups are not evenly distributed across batches, actual group differences may induce apparent batch differences, in which case batch adjustments may bias, usually deflate, group differences. Some tools therefore have the option of preserving the difference between study groups, e.g. using a two-way ANOVA model to simultaneously estimate both group and batch effects. Unfortunately, this approach may systematically induce incorrect group differences in downstream analyses when groups are distributed between the batches in an unbalanced manner. The scientific community seems to be largely unaware of how this approach may lead to false discoveries. PMID:26272994

Reactive and recoverable sorbents for halogenated organic compound remediation in sediments

NASA Astrophysics Data System (ADS)

Werner, David; Taggalou, Villy; Kordulis, Christos; Dolfing, Jan; Karapanagioti, Hrissi K.

2013-04-01

Activated carbon (AC) has been proposed as a sediment amendment for aquatic systems polluted with hydrophobic organic compounds. AC acts as a strong binding agent that lowers the pollutant concentration and thus, its toxicity. A draw back of this in-situ remediation method is that although the pollutant will remain non-bioavailable for many years being sorbed into AC, it actually stays in the system. A reactive sorbent, a sorbent that would, at the same time, facilitate the degradation of the pollutant, would be better accepted by the public or the regulators than AC amendment. So far, catalysts supported on AC with zero valent iron and a reactive metal have been proposed for the dechlorination of chlorinated organic compounds. These reactive metals are usually expensive or toxic and thus, their addition to the environment is not desirable. In the present study, activated carbon modified with reduced iron(AC/Fe) is tested in batch systems in the presence of sediment and DDT sorbed on polyethylene sheets. The batch systems are equilibrated for different contact times. Then, the DDT remaining in the polyethylene sheets is quantified along with DDD produced due to the dechlorination of DDT. A small percentage of DDT is degraded to DDD in the systems containing the AC/Fe material. No degradation of DDT is observed in the control systems containing the pollutant and the sediment or the pollutant, the sediment and AC. Thus, the addition of AC/Fe to the sediment with the DDT is enough to cause the dechlorination of DDT. At the end of the experiments, a magnet rod is used to recover the AC/Fe material from the batches with the sediment. An average recovery of 83% is achieved. This is a high percentage suggesting that the material can be easily recovered. Some drawbacks of the material preparation method are identified after the composite material characterization. For example, the AC/Fe surface area is decreased with the material preparation compared to the initial surface area of the AC. This fact results in decrease of the sorption ability of the AC/Fe material compared to that of the AC. At the same time, more DDT degradation might be achievable by increasing the AC/Fe dosage from the 1% weight used in this study that is lower than commonly used for sediment amendments. More research is necessary to optimize the material preparation and properties.

Nickel adsorption on chalk and calcite

NASA Astrophysics Data System (ADS)

Belova, D. A.; Lakshtanov, L. Z.; Carneiro, J. F.; Stipp, S. L. S.

2014-12-01

Nickel uptake from solution by two types of chalk and calcite was investigated in batch sorption studies. The goal was to understand the difference in sorption behavior between synthetic and biogenic calcite. Experiments at atmospheric partial pressure of CO2, in solutions equilibrated with calcite and chalk and pH ranging from 7.7 to 8.8, explored the influence of initial concentration and the amount and type of sorbent on Ni uptake. Adsorption increases with increased surface area and pH. A surface complexation model describes the data well. Stability constants for the Ni surface complex are log KNi = - 1.12 on calcite and log KNi = - 0.43 and - 0.50 on the two chalk samples. The study confirms that synthetic calcite and chalk both take up nickel, but Ni binds more strongly on the biogenic calcite than on inorganically precipitated, synthetic powder, because of the presence of trace amounts of polysaccharides and clay nanoparticles on the chalk surface.

A simple headspace equilibration method for measuring dissolved methane

USGS Publications Warehouse

Magen, C; Lapham, L.L.; Pohlman, John W.; Marshall, Kristin N.; Bosman, S.; Casso, Michael; Chanton, J.P.

2014-01-01

Dissolved methane concentrations in the ocean are close to equilibrium with the atmosphere. Because methane is only sparingly soluble in seawater, measuring it without contamination is challenging for samples collected and processed in the presence of air. Several methods for analyzing dissolved methane are described in the literature, yet none has conducted a thorough assessment of the method yield, contamination issues during collection, transport and storage, and the effect of temperature changes and preservative. Previous extraction methods transfer methane from water to gas by either a "sparge and trap" or a "headspace equilibration" technique. The gas is then analyzed for methane by gas chromatography. Here, we revisit the headspace equilibration technique and describe a simple, inexpensive, and reliable method to measure methane in fresh and seawater, regardless of concentration. Within the range of concentrations typically found in surface seawaters (2-1000 nmol L-1), the yield of the method nears 100% of what is expected from solubility calculation following the addition of known amount of methane. In addition to being sensitive (detection limit of 0.1 ppmv, or 0.74 nmol L-1), this method requires less than 10 min per sample, and does not use highly toxic chemicals. It can be conducted with minimum materials and does not require the use of a gas chromatograph at the collection site. It can therefore be used in various remote working environments and conditions.

Effective control of modified palygorskite to NH4+-N release from sediment.

PubMed

Chen, Lei; Zheng, Tianyuan; Zhang, Junjie; Liu, Jie; Zheng, Xilai

2014-01-01

Sediment capping is an in situ treatment technology that can effectively restrain nutrient and pollutant release from the sediment in lakes and reservoirs. Research on sediment capping has focused on the search for effective, non-polluting and affordable capping materials. The efficiency and mechanism of sediment capping with modified palygorskite in preventing sediment ammonia nitrogen (NH4+-N) release to surface water were investigated through a series of batch and sediment capping experiments. Purified palygorskite and different types of modified palygorskite (i.e. heated, acid-modified and NaCI-modified palygorskite) were used in this investigation. Factors affecting control efficiency, including the temperature, thickness and grain size of the capping layer, were also analysed. The batch tests showed that the adsorption of NH4+-N on modified palygorskite achieved an equilibration in the initial 45 min, and the adsorption isotherm followed the Freundlich equation. Sediment capping experiments showed that compared with non-capped condition, covering the sediment with modified palygorskite and sand both inhibited NH4+-N release to the overlying water. Given its excellent chemical stability and strong adsorption, heated palygorskite, which has a NH4+-N release inhibition ratio of 41.3%, is a more effective sediment capping material compared with sand. The controlling effectiveness of the modified palygorskite increases with thicker capping layer, lower temperature and smaller grain size of the capping material.

Phenylurea herbicide sorption to biochars and agricultural soil

PubMed Central

WANG, DAOYUAN; MUKOME, FUNGAI N. D.; YAN, DENGHUA; WANG, HAO; SCOW, KATE M.; PARIKH, SANJAI J.

2016-01-01

Biochar is increasingly been used as a soil amendment to improve water holding capacity, reduce nutrient leaching, increase soil pH and also as a means to reduce contamination through sorption of heavy metals or organic pollutants. The sorption behavior of three phenylurea herbicides (monuron, diuron, linuron) on five biochars (Enhanced Biochar, Hog Waste, Turkey Litter, Walnut Shell and Wood Feedstock) and an agricultural soil (Yolo silt loam) was investigated using a batch equilibration method. Sorption isotherms of herbicides to biochars were well described by the Freundlich model (R2 = 0.93 -- 0.97). The adsorption KF values ranged from 6.94 to 1306.95 mg kg−1 and indicated the sorption of herbicides in the biochars and Yolo soil was in the sequence of linuron > diuron > monuron and walnut shell biochar > wood feedstock biochar > turkey litter biochar > enhanced biochar > hog waste biochar > Yolo soil. These data show that sorption of herbicides to biochar can have both positive (reduced off-site transport) and negative (reduced herbicide efficacy) implications and specific biochar properties, such as H/C ratio and surface area, should be considered together with soil type, agriculture chemical and climate condition in biochar application to agricultural soil to optimize the system for both agricultural and environmental benefits. PMID:26065514

Using artificial intelligence to predict the equilibrated postdialysis blood urea concentration.

PubMed

Fernández, E A; Valtuille, R; Willshaw, P; Perazzo, C A

2001-01-01

Total dialysis dose (Kt/V) is considered to be a major determinant of morbidity and mortality in hemodialyzed patients. The continuous growth of the blood urea concentration over the 30- to 60-min period following dialysis, a phenomenon known as urea rebound, is a critical factor in determining the true dose of hemodialysis. The misestimation of the equilibrated (true) postdialysis blood urea or equilibrated Kt/V results in an inadequate hemodialysis prescription, with predictably poor clinical outcomes for the patients. The estimation of the equilibrated postdialysis blood urea (eqU) is therefore crucial in order to estimate the equilibrated (true) Kt/V. In this work we propose a supervised neural network to predict the eqU at 60 min after the end of hemodialysis. The use of this model is new in this field and is shown to be better than the currently accepted methods (Smye for eqU and Daugirdas for eqKt/V). With this approach we achieve a mean difference error of 0.22 +/- 7.71 mg/ml (mean % error: 1.88 +/- 13.46) on the eqU prediction and a mean difference error for eqKt/V of -0.01 +/- 0.15 (mean % error: -0.95 +/- 14.73). The equilibrated Kt/V estimated with the eqU calculated using the Smye formula is not appropriate because it showed a great dispersion. The Daugirdas double-pool Kt/V estimation formula appeared to be accurate and in agreement with the results of the HEMO study. Copyright 2001 S. Karger AG, Basel.

A randomized prospective study of desflurane versus isoflurane in minimal flow anesthesia using “equilibration time” as the change-over point to minimal flow

PubMed Central

Mallik, Tanuja; Aneja, S; Tope, R; Muralidhar, V

2012-01-01

Background: In the administration of minimal flow anesthesia, traditionally a fixed time period of high flow has been used before changing over to minimal flow. However, newer studies have used “equilibration time” of a volatile anesthetic agent as the change-over point. Materials and Methods: A randomized prospective study was conducted on 60 patients, who were divided into two groups of 30 patients each. Two volatile inhalational anesthetic agents were compared. Group I received desflurane (n = 30) and group II isoflurane (n = 30). Both the groups received an initial high flow till equilibration between inspired (Fi) and expired (Fe) agent concentration were achieved, which was defined as Fe/Fi = 0.8. The mean (SD) equilibration time was obtained for both the agent. Then, a drift in end-tidal agent concentration during the minimal flow anesthesia and recovery profile was noted. Results: The mean equilibration time obtained for desflurane and isoflurane were 4.96 ± 1.60 and 16.96 ± 9.64 min (P < 0.001). The drift in end-tidal agent concentration over time was minimal in the desflurane group (P = 0.065). Recovery time was 5.70 ± 2.78 min in the desflurane group and 8.06 ± 31 min in the isoflurane group (P = 0.004). Conclusion: Use of equilibration time of the volatile anesthetic agent as a change-over point, from high flow to minimal flow, can help us use minimal flow anesthesia, in a more efficient way. PMID:23225926

A Simple Method for Automated Equilibration Detection in Molecular Simulations.

PubMed

Chodera, John D

2016-04-12

Molecular simulations intended to compute equilibrium properties are often initiated from configurations that are highly atypical of equilibrium samples, a practice which can generate a distinct initial transient in mechanical observables computed from the simulation trajectory. Traditional practice in simulation data analysis recommends this initial portion be discarded to equilibration, but no simple, general, and automated procedure for this process exists. Here, we suggest a conceptually simple automated procedure that does not make strict assumptions about the distribution of the observable of interest in which the equilibration time is chosen to maximize the number of effectively uncorrelated samples in the production timespan used to compute equilibrium averages. We present a simple Python reference implementation of this procedure and demonstrate its utility on typical molecular simulation data.

A simple method for automated equilibration detection in molecular simulations

PubMed Central

Chodera, John D.

2016-01-01

Molecular simulations intended to compute equilibrium properties are often initiated from configurations that are highly atypical of equilibrium samples, a practice which can generate a distinct initial transient in mechanical observables computed from the simulation trajectory. Traditional practice in simulation data analysis recommends this initial portion be discarded to equilibration, but no simple, general, and automated procedure for this process exists. Here, we suggest a conceptually simple automated procedure that does not make strict assumptions about the distribution of the observable of interest, in which the equilibration time is chosen to maximize the number of effectively uncorrelated samples in the production timespan used to compute equilibrium averages. We present a simple Python reference implementation of this procedure, and demonstrate its utility on typical molecular simulation data. PMID:26771390

Removing Batch Effects from Longitudinal Gene Expression - Quantile Normalization Plus ComBat as Best Approach for Microarray Transcriptome Data

PubMed Central

Müller, Christian; Schillert, Arne; Röthemeier, Caroline; Trégouët, David-Alexandre; Proust, Carole; Binder, Harald; Pfeiffer, Norbert; Beutel, Manfred; Lackner, Karl J.; Schnabel, Renate B.; Tiret, Laurence; Wild, Philipp S.; Blankenberg, Stefan

2016-01-01

Technical variation plays an important role in microarray-based gene expression studies, and batch effects explain a large proportion of this noise. It is therefore mandatory to eliminate technical variation while maintaining biological variability. Several strategies have been proposed for the removal of batch effects, although they have not been evaluated in large-scale longitudinal gene expression data. In this study, we aimed at identifying a suitable method for batch effect removal in a large study of microarray-based longitudinal gene expression. Monocytic gene expression was measured in 1092 participants of the Gutenberg Health Study at baseline and 5-year follow up. Replicates of selected samples were measured at both time points to identify technical variability. Deming regression, Passing-Bablok regression, linear mixed models, non-linear models as well as ReplicateRUV and ComBat were applied to eliminate batch effects between replicates. In a second step, quantile normalization prior to batch effect correction was performed for each method. Technical variation between batches was evaluated by principal component analysis. Associations between body mass index and transcriptomes were calculated before and after batch removal. Results from association analyses were compared to evaluate maintenance of biological variability. Quantile normalization, separately performed in each batch, combined with ComBat successfully reduced batch effects and maintained biological variability. ReplicateRUV performed perfectly in the replicate data subset of the study, but failed when applied to all samples. All other methods did not substantially reduce batch effects in the replicate data subset. Quantile normalization plus ComBat appears to be a valuable approach for batch correction in longitudinal gene expression data. PMID:27272489

Americium, Cesium, and Plutonium Colloid-Facilitated Transport in a Groundwater/Bentonite/Fracture Fill Material System: Column Experiments and Model Results

NASA Astrophysics Data System (ADS)

Dittrich, T. M.; Boukhalfa, H.; Reimus, P. W.

2014-12-01

The objective of this study was to investigate and quantify the effects of desorption kinetics and colloid transport on radionuclides with different sorption affinities. We focused on quantifying transport mechanisms important for upscaling in time and distance. This will help determine the long-term fate and transport of radionuclides to aid in risk assessments. We selected a fractured/weathered granodiorite at the Grimsel Test Site (GTS) in Switzerland as a model crystalline rock repository system because the system has been thoroughly studied and field experiments involving radionuclides have already been conducted. Working on this system provides a unique opportunity to compare lab experiments with field-scale observations. Weathered fracture fill material (FFM) and bentonite used as backfill at the GTS were characterized (e.g., BET, SEM/EDS, QXRD), and batch and breakthrough column experiments were conducted. Solutions were prepared in synthetic groundwaters that matched the natural water chemistry. FFM samples were crushed, rinsed, sieved (150-355 μm), and equilibrated with synthetic groundwater. Bentonite was crushed, sodium-saturated, equilibrated with synthetic groundwater, and settled to yield a stable suspension. Suspensions were equilibrated with Am, Cs, or Pu. All experiments were conducted with Teflon®materials to limit sorption to system components. After radionuclide/colloid injections reached stability, radionuclide-free solutions were injected to observe the desorption and release behavior. Aliquots of effluent were measured for pH, colloid concentration, and total and dissolved radionuclides. Unanalyzed effluent from the first column was then injected through a second column of fresh material. The process was repeated for a third column and the results of all three breakthrough curves were modeled with a multi-site/multi-rate MATLAB code to elucidate the sorption rate coefficients and binding site densities of the bentonite colloids and fracture fill material. Nearly 50% of the sorbed Am was exchanged from the colloids to the fracture filling material in each of the three columns; whereas, less Cs and Pu was desorbed with each pass through a new column. Using a two-site kinetic model allowed for interrogation of desorption rates and dominant transport parameters.

Searching CA Condensates, On-Line and Batch.

ERIC Educational Resources Information Center

Kaminecki, Ronald M.; And Others

Batch mode processing is compared, using cost-effectiveness, with on-line processing for computer-aided searching of chemical abstracts. Consideration for time, need, coverage, and adaptability are found to be the criteria by which a searcher selects a method, and sometimes both methods are used. There is a tradeoff between batch mode's slower…

Impact of holding and equilibration time on post-thaw quality of shipped boar semen.

PubMed

Schäfer, J; Waberski, D; Jung, M; Schulze, M

2017-12-01

Cryopreservation of boar semen is of growing interest for breeding companies. Overnight-shipping of pre-diluted ejaculates to specialized laboratories offers a practicable method, but requires fine-tuned protocols. In this study, the impact of holding post shipping at 17°C for 2 or 24h (n=10 samples) and of equilibration in lactose-egg yolk extender without glycerol at 5°C for 2, 4, 24 or 48h (n=11 samples) before freezing was investigated. Sperm-rich fractions of ejaculates from 21 mature Pietrain boars were collected at a single boar stud. After pre-dilution (1+1, v:v) with Beltsville thawing solution, samples were sent to the laboratory. Temperature profiles during transport and initial equilibration time were recorded. Semen quality post-thaw (PT) was evaluated using CASA and flow cytometry. Holding of 2h after shipping resulted in higher sperm motility (P=0.013) and beat cross frequency (BCF; P=0.047) compared to 24h. Differences between both groups vanished with prolonged incubation at 38°C PT. Equilibration at 5°C for 4h yielded the highest motility and BCF, whereas the equilibration for 48h impaired sperm motility. Membrane integrity, mitochondrial activity and DNA fragmentation index were not affected by any protocol modification. In conclusion, processing of pre-diluted boar semen shipped overnight within 2h after arrival at the laboratory is preferred to 24h of additional holding at 17°C. Extending the equilibration period in lactose-egg yolk extender without glycerol at 5°C from 2h to 4h before freezing is recommended. Copyright © 2017 Elsevier B.V. All rights reserved.

Long-term sorption of halogenated organic chemicals by aquifer material. 1. Equilibrium

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

Ball, W.P.; Roberts, P.V.

1991-07-01

The sorption of tetrachloroethene (PCE) and 1,2,4,5-tetrachlorobenzene (TeCB) was studied on sandy aquifer material from Borden, ON, by using a batch methodology designed to accurately measure sorption over long equilibration periods. Autoclaving was effective in inhibiting biotransformation, and use of fire-sealed glass ampules precluded volatilization losses. Data analysis techniques were developed to accurately account for partitioning to sample headspace and other losses. Sorption isotherms for PCE and TeCB with Borden solids deviated from linearity when a 4-5 order of magnitude range in aqueous concentration was considered. However, in the dilute range (<50 {mu}/l), the deviations from linearity were inconsequential. Themore » sorption of TeCB was approximately 40 times stronger than for PCE, in qualitative accordance with TeCB's approximately 100-fold greater octanol-water partitioning coefficient. For a given solute, the distribution coefficients differed by a factor of 30 among the various size fractions, being greatest for the largest grains. For most Borden solids, the long-term sorption of PCE and TeCB exceeded by more than 1 order of magnitude the predictions of generalized correlations based on hydrophobic partitioning into organic matter. This difference is believed to be partially the result of mineral contributions to sorption, but may also reflect unattainment of equilibrium in previously regressed results - in this study, contact times on the order of tens to hundreds of days were required. For Borden solids, pulverization of solid samples was shown to be a viable expedient to obviate the need for excessively long equilibrations.« less

Different cultivation methods to acclimatise ammonia-tolerant methanogenic consortia.

PubMed

Tian, Hailin; Fotidis, Ioannis A; Mancini, Enrico; Angelidaki, Irini

2017-05-01

Bioaugmentation with ammonia tolerant-methanogenic consortia was proposed as a solution to overcome ammonia inhibition during anaerobic digestion process recently. However, appropriate technology to generate ammonia tolerant methanogenic consortia is still lacking. In this study, three basic reactors (i.e. batch, fed-batch and continuous stirred-tank reactors (CSTR)) operated at mesophilic (37°C) and thermophilic (55°C) conditions were assessed, based on methane production efficiency, incubation time, TAN/FAN (total ammonium nitrogen/free ammonia nitrogen) levels and maximum methanogenic activity. Overall, fed-batch cultivation was clearly the most efficient method compared to batch and CSTR. Specifically, by saving incubation time up to 150%, fed-batch reactors were acclimatised to nearly 2-fold higher FAN levels with a 37%-153% methanogenic activity improvement, compared to batch method. Meanwhile, CSTR reactors were inhibited at lower ammonia levels. Finally, specific methanogenic activity test showed that hydrogenotrophic methanogens were more active than aceticlastic methanogens in all FAN levels above 540mgNH 3 -NL -1 . Copyright © 2017 Elsevier Ltd. All rights reserved.

40 CFR 63.1325 - Batch process vents-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... either total organic HAP or TOC. For purposes of this paragraph (c), the term “batch emission episode... ensure the measurement of total organic HAP or TOC (minus methane and ethane) concentrations in all batch... organic HAP or TOC, as appropriate. Alternatively, any other method or data that has been validated...

A new experimental design method to optimize formulations focusing on a lubricant for hydrophilic matrix tablets.

PubMed

Choi, Du Hyung; Shin, Sangmun; Khoa Viet Truong, Nguyen; Jeong, Seong Hoon

2012-09-01

A robust experimental design method was developed with the well-established response surface methodology and time series modeling to facilitate the formulation development process with magnesium stearate incorporated into hydrophilic matrix tablets. Two directional analyses and a time-oriented model were utilized to optimize the experimental responses. Evaluations of tablet gelation and drug release were conducted with two factors x₁ and x₂: one was a formulation factor (the amount of magnesium stearate) and the other was a processing factor (mixing time), respectively. Moreover, different batch sizes (100 and 500 tablet batches) were also evaluated to investigate an effect of batch size. The selected input control factors were arranged in a mixture simplex lattice design with 13 experimental runs. The obtained optimal settings of magnesium stearate for gelation were 0.46 g, 2.76 min (mixing time) for a 100 tablet batch and 1.54 g, 6.51 min for a 500 tablet batch. The optimal settings for drug release were 0.33 g, 7.99 min for a 100 tablet batch and 1.54 g, 6.51 min for a 500 tablet batch. The exact ratio and mixing time of magnesium stearate could be formulated according to the resulting hydrophilic matrix tablet properties. The newly designed experimental method provided very useful information for characterizing significant factors and hence to obtain optimum formulations allowing for a systematic and reliable experimental design method.

Pyrethroid sorption to Sacramento River suspended solids and bed sediments

PubMed Central

Fojut, Tessa L.; Young, Thomas M.

2011-01-01

Sorption of pyrethroid insecticides to solid materials will typically dominate the fate and transport of these hydrophobic compounds in aquatic environments. Batch reactor isotherm experiments were performed with bifenthrin and λ-cyhalothrin with suspended material and bed sediment collected from the Sacramento River, CA. These batch reactor experiments were performed with low spiking concentrations and a long equilibration time (28 d) to be more relevant to environmental conditions. Sorption to suspended material and bed sediment was compared to examine the role of differential sorption between these phases in the environmental transport of pyrethroids. The equilibrium sorption data were fit to the Freundlich isotherm model and fit with r2 > 0.87 for all experiments. Freundlich exponents ranged from 0.72 ± 0.19 to 1.07 ± 0.050, indicating sorption nonlinearity for some of the experimental conditions and linearity for others over the concentration range tested. The Freundlich capacity factors were larger for the suspended solids than for the bed sediments and the suspended material had a higher specific surface area and higher organic carbon content compared to the bed sediment. Calculated organic carbon-normalized distribution coefficients were larger than those previously reported in the literature by approximately an order of magnitude and ranged from 106.16 to 106.68 at an equilibrium aqueous concentration of 0.1 µg/L. Higher than expected sorption of pyrethroids to the tested materials may be explained by sorption to black carbon and/or mineral surfaces. PMID:21191877

Weak and strong coupling equilibration in nonabelian gauge theories

NASA Astrophysics Data System (ADS)

Keegan, Liam; Kurkela, Aleksi; Romatschke, Paul; van der Schee, Wilke; Zhu, Yan

2016-04-01

We present a direct comparison studying equilibration through kinetic theory at weak coupling and through holography at strong coupling in the same set-up. The set-up starts with a homogeneous thermal state, which then smoothly transitions through an out-of-equilibrium phase to an expanding system undergoing boost-invariant flow. This first apples-to-apples comparison of equilibration provides a benchmark for similar equilibration processes in heavy-ion collisions, where the equilibration mechanism is still under debate. We find that results at weak and strong coupling can be smoothly connected by simple, empirical power-laws for the viscosity, equilibration time and entropy production of the system.

Determination of dissolved methane in natural waters using headspace analysis with cavity ring-down spectroscopy.

PubMed

Roberts, Hannah M; Shiller, Alan M

2015-01-26

Methane (CH4) is the third most abundant greenhouse gas (GHG) but is vastly understudied in comparison to carbon dioxide. Sources and sinks to the atmosphere vary considerably in estimation, including sources such as fresh and marine water systems. A new method to determine dissolved methane concentrations in discrete water samples has been evaluated. By analyzing an equilibrated headspace using laser cavity ring-down spectroscopy (CRDS), low nanomolar dissolved methane concentrations can be determined with high reproducibility (i.e., 0.13 nM detection limit and typical 4% RSD). While CRDS instruments cost roughly twice that of gas chromatographs (GC) usually used for methane determination, the process presented herein is substantially simpler, faster, and requires fewer materials than GC methods. Typically, 70-mL water samples are equilibrated with an equivalent amount of zero air in plastic syringes. The equilibrated headspace is transferred to a clean, dry syringe and then drawn into a Picarro G2301 CRDS analyzer via the instrument's pump. We demonstrate that this instrument holds a linear calibration into the sub-ppmv methane concentration range and holds a stable calibration for at least two years. Application of the method to shipboard dissolved methane determination in the northern Gulf of Mexico as well as river water is shown. Concentrations spanning nearly six orders of magnitude have been determined with this method. Copyright © 2014 Elsevier B.V. All rights reserved.

A direct comparison of U.S. Environmental Protection Agency's method 304B and batch tests for determining activated-sludge biodegradation rate constants for volatile organic compounds

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

Cano, M.L.; Wilcox, M.E.; Compernolle, R. van

Biodegradation rate constants for volatile organic compounds (VOCs) in activated-sludge systems are needed to quantify emissions. One current US environmental Protection Agency method for determining a biodegradation rate constant is Method 304B. In this approach, a specific activated-sludge unit is simulated by a continuous biological treatment system with a sealed headspace. Batch experiments, however, can be alternatives to Method 304B. Two of these batch methods are the batch test that uses oxygen addition (BOX) and the serum bottle test (SBT). In this study, Method 304B was directly compared to BOX and SBT experiments. A pilot-scale laboratory reactor was constructed tomore » serve as the Method 304B unit. Biomass from the unit was also used to conduct BOX and modified SBT experiments (modification involved use of a sealed draft-tube reactor with a headspace recirculation pump instead of a serum bottle) for 1,2-dichloroethane, diisopropyl ether, methyl tertiary butyl ether, and toluene. Three experimental runs--each consisting of one Method 304B experiment, one BOX experiment, and one modified SBT experiment--were completed. The BOX and SBT data for each run were analyzed using a Monod model, and best-fit biodegradation kinetic parameters were determined for each experiment, including a first-order biodegradation rate constant (K{sub 1}). Experimental results suggest that for readily biodegradable VOCs the two batch techniques can provide improved means of determining biodegradation rate constants compared with Method 304B. In particular, these batch techniques avoid the Method 304B problem associated with steady-state effluent concentrations below analytical detection limits. However, experimental results also suggest that the two batch techniques should not be used to determine biodegradation rate constants for slowly degraded VOCs (i.e., K{sub 1} {lt} 0.1 L/g VSS-h).« less

How Many Batches Are Needed for Process Validation under the New FDA Guidance?

PubMed

Yang, Harry

2013-01-01

The newly updated FDA Guidance for Industry on Process Validation: General Principles and Practices ushers in a life cycle approach to process validation. While the guidance no longer considers the use of traditional three-batch validation appropriate, it does not prescribe the number of validation batches for a prospective validation protocol, nor does it provide specific methods to determine it. This potentially could leave manufacturers in a quandary. In this paper, I develop a Bayesian method to address the issue. By combining process knowledge gained from Stage 1 Process Design (PD) with expected outcomes of Stage 2 Process Performance Qualification (PPQ), the number of validation batches for PPQ is determined to provide a high level of assurance that the process will consistently produce future batches meeting quality standards. Several examples based on simulated data are presented to illustrate the use of the Bayesian method in helping manufacturers make risk-based decisions for Stage 2 PPQ, and they highlight the advantages of the method over traditional Frequentist approaches. The discussions in the paper lend support for a life cycle and risk-based approach to process validation recommended in the new FDA guidance. The newly updated FDA Guidance for Industry on Process Validation: General Principles and Practices ushers in a life cycle approach to process validation. While the guidance no longer considers the use of traditional three-batch validation appropriate, it does not prescribe the number of validation batches for a prospective validation protocol, nor does it provide specific methods to determine it. This potentially could leave manufacturers in a quandary. In this paper, I develop a Bayesian method to address the issue. By combining process knowledge gained from Stage 1 Process Design (PD) with expected outcomes of Stage 2 Process Performance Qualification (PPQ), the number of validation batches for PPQ is determined to provide a high level of assurance that the process will consistently produce future batches meeting quality standards. Several examples based on simulated data are presented to illustrate the use of the Bayesian method in helping manufacturers make risk-based decisions for Stage 2 PPQ, and THEY highlight the advantages of the method over traditional Frequentist approaches. The discussions in the paper lend support for a life cycle and risk-based approach to process validation recommended in the new FDA guidance.

Weak and strong coupling equilibration in nonabelian gauge theories

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

Keegan, Liam; Kurkela, Aleksi; Romatschke, Paul

2016-04-06

In this study, we present a direct comparison studying equilibration through kinetic theory at weak coupling and through holography at strong coupling in the same set-up. The set-up starts with a homogeneous thermal state, which then smoothly transitions through an out-of-equilibrium phase to an expanding system undergoing boost-invariant flow. This first apples-to-apples comparison of equilibration provides a benchmark for similar equilibration processes in heavy-ion collisions, where the equilibration mechanism is still under debate. We find that results at weak and strong coupling can be smoothly connected by simple, empirical power-laws for the viscosity, equilibration time and entropy production of themore » system.« less

Arbuscular mycorrhizal fungal hyphae contribute to the uptake of polycyclic aromatic hydrocarbons by plant roots.

PubMed

Gao, Yanzheng; Cheng, Zhaoxia; Ling, Wanting; Huang, Jing

2010-09-01

The arbuscular mycorrhizal (AM) hyphae-mediated uptake of polycyclic aromatic hydrocarbons (PAHs) by the roots of ryegrass (Lolium multiflorum Lam.) was investigated using three-compartment systems. Glomus mosseae and Glomus etunicatum were chosen, and fluorene and phenanthrene were used as representative PAHs. When roots were grown in un-spiked soils, AM hyphae extended into PAH-spiked soil and clearly absorbed and transported PAHs to roots, resulting in high concentrations of fluorene and phenanthrene in roots. This was further confirmed by the batch equilibration experiment, which revealed that the partition coefficients (K(d)) of tested PAHs by mycorrhizal hyphae were 270-356% greater than those by roots, suggesting the great potential of hyphae to absorb PAHs. Because of fluorene's lower molecular weight and higher water solubility, its translocation by hyphae was greater than that of phenanthrene. These results provide new perspectives on the AM hyphae-mediated uptake by plants of organic contaminants from soil. Copyright 2010 Elsevier Ltd. All rights reserved.

Platinum metals in magmatic sulfide ores

USGS Publications Warehouse

Naldrett, A.J.; Duke, J.M.

1980-01-01

Platinum-group elements (PGE) are mined predominantly from deposits that have formed by the segregation of molten iron-nickel-copper sulfides from silicate magmas. The absolute concentrations of PGE in sulfides from different deposits vary over a range of five orders of magnitude, whereas those of other chalcophile elements vary by factors of only 2 to 100. However, the relative proportions of the different PGE in a given deposit are systematically related to the nature of the parent magma. The absolute and relative concentrations of PGE in magmatic sulfides are explained in terms of the degree of partial melting of mantle peridotite required to produce the parent magma and the processes of batch equilibration and fractional segregation of sulfides. The Republic of South Africa and the U.S.S.R. together possess more than 97 percent of the world PGE reserves, but significant undeveloped resources occur in North America. The Stillwater complex in Montana is perhaps the most important example. Copyright ?? 1980 AAAS.

Activated bauxite waste as an adsorbent for removal of Acid Blue 92 from aqueous solutions.

PubMed

Norouzi, Sh; Badii, Kh; Doulati Ardejani, F

2010-01-01

Bauxite waste, known as red mud, is produced in some industrial processes, such as aluminum production process. In this process, the waste material is produced from leached bauxite as a by product. In this research, the removal of Acid Blue 92 (AB92) dye was investigated from aqueous solution onto the activated bauxite waste (red mud) in a batch equilibration system. Besides, the influences of pH, adsorbent dosage, contact time, initial concentration of dye and temperature have been considered. It was found that the OH group is an effective functional group for the adsorption process. The intensity of the peaks correspond to OH group has been significantly climbed after the activation process. The adsorption kinetics of AB92 can be well described by the pseudo-second-order reaction model. Based on the isotherm data obtained from the fittings of the adsorption kinetics, the Langmuir model appears to fit the adsorption process better than the Freundlich and Brunauer-Emmett-Teller (BET) models.

Sorption of 3,3',4,4'-tetrachlorobiphenyl by microplastics: A case study of polypropylene.

PubMed

Zhan, Zhiwei; Wang, Jundong; Peng, Jinping; Xie, Qilai; Huang, Ying; Gao, Yifan

2016-09-15

Though plastics show good chemical inertness, they could sorb polychlorinated biphenyls (PCBs) and other toxic pollutants from the surrounding environment. Thus, ingestion of microplastics by marine organisms potentially enhances the transport and bioavailability of toxic chemicals. However, there is lack of studies on the sorption capacity, mechanism and factors affecting the sorption behavior. Here, sorption of PCBs by microplastics in the simulated seawater was studied using the batch oscillation equilibration technique, in which polypropylene (PP) and 3,3',4,4'-tetrachlorobiphenyl (PCB77) acted as model plastic and PCB, respectively. Factors including particle size, temperature and solution environment were investigated. Results showed that, equilibrium sorption time is about 8h and sorption capacity increase with decreasing particle size and temperature. Different sorption capacity in three solution environments was observed. Equilibrium data in three solution environments fitted very well to the Langmuir sorption model, indicating chemical sorption is the predominant mechanism. Copyright © 2016 Elsevier Ltd. All rights reserved.

Influence of herbicide structure, clay acidity, and humic acid coating on acetanilide herbicide adsorption on homoionic clays.

PubMed

Liu, Weiping; Gan, Jianying; Yates, Scott R

2002-07-03

Adsorption of chloroacetanilide herbicides on homoionic montmorillonite was studied by coupling batch equilibration and FT-IR analysis. Adsorption decreased in the order metolachlor > acetochlor > alachlor > propachlor on Ca(2+)- or Mg(2+)-saturated clays and in the order metolachlor > alachlor > acetachlor > propachlor on Al(3+)- or Fe(3+)-saturated clays. FT-IR spectra showed that the carbonyl group of the herbicide molecule was involved in bonding. For the same herbicide, adsorption of alachlor, acetachlor, and metolachlor on clay followed the order Ca(2+) approximately Mg(2+) < Al(3+) < or = Fe(3+), which coincided with the increasing acidity of homoionic clays. Adsorption of propachlor, however, showed an opposite dependence, suggesting a different governing interaction. In clay and humic acid mixtures, herbicide adsorption was less than that expected from independent additive adsorption by the individual constituents, and the deviation was dependent on the clay-to-humic acid ratio, with the greatest deviation consistently occurring at a 60:40 clay-to-humic acid ratio.

Nickel adsorption on chalk and calcite.

PubMed

Belova, D A; Lakshtanov, L Z; Carneiro, J F; Stipp, S L S

2014-12-01

Nickel uptake from solution by two types of chalk and calcite was investigated in batch sorption studies. The goal was to understand the difference in sorption behavior between synthetic and biogenic calcite. Experiments at atmospheric partial pressure of CO2, in solutions equilibrated with calcite and chalk and pH ranging from 7.7 to 8.8, explored the influence of initial concentration and the amount and type of sorbent on Ni uptake. Adsorption increases with increased surface area and pH. A surface complexation model describes the data well. Stability constants for the Ni surface complex are log KNi=-1.12 on calcite and log KNi=-0.43 and -0.50 on the two chalk samples. The study confirms that synthetic calcite and chalk both take up nickel, but Ni binds more strongly on the biogenic calcite than on inorganically precipitated, synthetic powder, because of the presence of trace amounts of polysaccharides and clay nanoparticles on the chalk surface. Copyright © 2014 Elsevier B.V. All rights reserved.

Measurement of the relaxation rate of the magnetization in Mn12O12-acetate using proton NMR echo

PubMed

Jang; Lascialfari; Borsa; Gatteschi

2000-03-27

We present a novel method to measure the relaxation rate W of the magnetization of Mn 12O (12)-acetate (Mn12) magnetic molecular cluster in its S = 10 ground state at low T. It is based on the observation of an exponential growth in time of the proton NMR signal during the thermal equilibration of the magnetization of the molecules. We can explain the novel effect with a simple model which relates the intensity of the proton echo signal to the microscopic reversal of the magnetization of each individual Mn12 molecule during the equilibration process. The method should find wide application in the study of magnetic molecular clusters in off-equilibrium conditions.

Effects of large-angle Coulomb collisions on inertial confinement fusion plasmas.

PubMed

Turrell, A E; Sherlock, M; Rose, S J

2014-06-20

Large-angle Coulomb collisions affect the rates of energy and momentum exchange in a plasma, and it is expected that their effects will be important in many plasmas of current research interest, including in inertial confinement fusion. Their inclusion is a long-standing problem, and the first fully self-consistent method for calculating their effects is presented. This method is applied to "burn" in the hot fuel in inertial confinement fusion capsules and finds that the yield increases due to an increase in the rate of temperature equilibration between electrons and ions which is not predicted by small-angle collision theories. The equilibration rate increases are 50%-100% for number densities of 10(30)  m(-3) and temperatures around 1 keV.

Batch process fault detection and identification based on discriminant global preserving kernel slow feature analysis.

PubMed

Zhang, Hanyuan; Tian, Xuemin; Deng, Xiaogang; Cao, Yuping

2018-05-16

As an attractive nonlinear dynamic data analysis tool, global preserving kernel slow feature analysis (GKSFA) has achieved great success in extracting the high nonlinearity and inherently time-varying dynamics of batch process. However, GKSFA is an unsupervised feature extraction method and lacks the ability to utilize batch process class label information, which may not offer the most effective means for dealing with batch process monitoring. To overcome this problem, we propose a novel batch process monitoring method based on the modified GKSFA, referred to as discriminant global preserving kernel slow feature analysis (DGKSFA), by closely integrating discriminant analysis and GKSFA. The proposed DGKSFA method can extract discriminant feature of batch process as well as preserve global and local geometrical structure information of observed data. For the purpose of fault detection, a monitoring statistic is constructed based on the distance between the optimal kernel feature vectors of test data and normal data. To tackle the challenging issue of nonlinear fault variable identification, a new nonlinear contribution plot method is also developed to help identifying the fault variable after a fault is detected, which is derived from the idea of variable pseudo-sample trajectory projection in DGKSFA nonlinear biplot. Simulation results conducted on a numerical nonlinear dynamic system and the benchmark fed-batch penicillin fermentation process demonstrate that the proposed process monitoring and fault diagnosis approach can effectively detect fault and distinguish fault variables from normal variables. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Quality evaluation of Hypericum ascyron extract by two-dimensional high-performance liquid chromatography coupled with the colorimetric 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method.

PubMed

Li, Xiu-Mei; Luo, Xue-Gang; Zhang, Chao-Zheng; Wang, Nan; Zhang, Tong-Cun

2015-02-01

In this paper, a heart-cutting two-dimensional high-performance liquid chromatography coupled with the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method was established for controlling the quality of different batches of Hypericum ascyron extract for the first time. In comparison with the common one-dimensional fingerprint, the second-dimensional fingerprint compiled additional spectral data and was hence more informative. The quality of H. ascyron extract was further evaluated by similarity measures and the same results were achieved, the correlation coefficients of the similarity of ten batches of H. ascyron extract were ＞0.99. Furthermore, we also evaluated the quality of the ten batches of H. ascyron extract by antibacterial activity. The result demonstrated that the quality of the ten batches of H. ascyron extract was not significantly different by MTT. Finally, we demonstrated that the second-dimensional fingerprint coupled with the MTT method was a more powerful tool to characterize the quality of samples of batch to batch. Therefore the proposed method could be used to comprehensively conduct the quality control of traditional Chinese medicines. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radionuclide Sensors and Systems for Monitoring Technetium-99 and Strontium-90 in Groundwater at the Hanford Site

NASA Astrophysics Data System (ADS)

Grate, J. W.; O'Hara, M. J.; Egorov, O. B.; Burge, S. R.

2009-12-01

We have developed automated sensor and analyzer devices for detection and monitoring of trace radionuclides in water, using preconcentrating columns and radiometric detection. The preconcentrating minicolumn sensor concept combines selective capture and detection in a single functional unit, where the column contains tens to hundreds of milligrams of selectively sorbent material, and the entire column content is monitored with a radiometric detector. Compared to thin film sensors with a few microgram of sorbent, this approach achieves tremendous preconcentration with efficient mass transport via pumping. Furthermore, in an equilibration-based mode of operation, the preconcentration by the sensor is maximized while eliminating the need for consumable reagents to regenerate the column; it can simply be re-equilibrated. We have demonstrated quantification of radionuclides such as technetium-99 to levels below drinking water standards in an equilibration-based process that produces steady state signals, signal proportional to concentration, and easy re-equilibration to new concentration levels. Alternatively, analyzers can be developed with separate separation and detection units that are fluidically linked. We have demonstrated detection of strontium-90 to levels below drinking water standards by this approach. We are developing autonomous systems for at-site monitoring on the Hanford Site in Washington State, using the fluidic sensor and analyzer methods, with the aim of monitoring natural and accelerated attenuation processes, remediation and barrier performance, and contaminant fluxes in the environment. Figure 1. The strontium-90 monitoring method deployed as part of the Burge Environmental Universal Sensor Platform, shown on the shores of the Columbia River on the Hanford site in Washington State.

The evolution of Carbon isotopes in calcite in the presence of cyanobacteria

NASA Astrophysics Data System (ADS)

Grimm, Christian; Mavromatis, Vasileios; Pokrovsky, Oleg S.; Oelkers, Eric H.

2016-04-01

Stable isotopic compositions in carbonates are widely used as indicators of environmental conditions prevailing during mineral formation. This reconstruction is substantially based on the assumption that there is no change in the mineral composition over geological time. However, recent experimental studies have shown that carbon and magnesium isotopes in hydrous Mg-carbonates undergo continuous re-equilibration with the ambient solution even after mineral precipitation stopped ([1] and [2], respectively). To verify whether this holds true for anhydrous Ca-bearing carbonates which readily form at earth's surface environments, a series of batch system calcite precipitation experiments were performed in the presence of actively growing cyanobacteria Synechococcus sp. The bacteria were grown at ambient temperature in a BG11 culture medium (SIGMA C3061) and continuous stirring, air-bubbling and illumination. Calcite precipitation was initiated by the addition of 8.5mM CaCl2 and 0-50 mM NaHCO3 or NaHCO3-Na2CO3 mixtures. The presence of cyanobacteria is on one hand promoting CaCO3 formation due to increasing pH resulting from photosynthesis. On the other hand, actively growing cyanobacteria drastically change carbon isotope signature of the aqueous fluid phase by preferably incorporating the lighter 12C isotope into biomass [1]. This study explores the effect of continuously changing carbon isotope compositions in dissolved inorganic carbon (DIC) on precipitated calcite which is in chemical equilibrium with the ambient fluid phase. [1] Mavromatis et al. (2015). The continuous re-equilibration of carbon isotope compositions of hydrous Mg-carbonates in the presence of cyanobacteria. Chem. Geol. 404, 41-51 [2] Mavromatis et al. (2012). Magnesium isotope fractionation during hydrous magnesium carbonate precipitation with and without cyanobacteria. Geochim. Cosmochim. Acta 76, 161-174

Batch compositions for cordierite ceramics

DOEpatents

Hickman, David L.

1994-07-26

Ceramic products consisting principally of cordierite and a method for making them are provided, the method employing batches comprising a mineral component and a chemical component, the mineral component comprising clay and talc and the chemical component consisting essentially of a combination of the powdered oxides, hydroxides, or hydrous oxides of magnesium, aluminum and silicon. Ceramics made by extrusion and firing of the batches can exhibit low porosity, high strength and low thermal expansion coefficients.

Indomethacin nanocrystals prepared by different laboratory scale methods: effect on crystalline form and dissolution behavior

NASA Astrophysics Data System (ADS)

Martena, Valentina; Censi, Roberta; Hoti, Ela; Malaj, Ledjan; Di Martino, Piera

2012-12-01

The objective of this study is to select very simple and well-known laboratory scale methods able to reduce particle size of indomethacin until the nanometric scale. The effect on the crystalline form and the dissolution behavior of the different samples was deliberately evaluated in absence of any surfactants as stabilizers. Nanocrystals of indomethacin (native crystals are in the γ form) (IDM) were obtained by three laboratory scale methods: A (Batch A: crystallization by solvent evaporation in a nano-spray dryer), B (Batch B-15 and B-30: wet milling and lyophilization), and C (Batch C-20-N and C-40-N: Cryo-milling in the presence of liquid nitrogen). Nanocrystals obtained by the method A (Batch A) crystallized into a mixture of α and γ polymorphic forms. IDM obtained by the two other methods remained in the γ form and a different attitude to the crystallinity decrease were observed, with a more considerable decrease in crystalline degree for IDM milled for 40 min in the presence of liquid nitrogen. The intrinsic dissolution rate (IDR) revealed a higher dissolution rate for Batches A and C-40-N, due to the higher IDR of α form than γ form for the Batch A, and the lower crystallinity degree for both the Batches A and C-40-N. These factors, as well as the decrease in particle size, influenced the IDM dissolution rate from the particle samples. Modifications in the solid physical state that may occur using different particle size reduction treatments have to be taken into consideration during the scale up and industrial development of new solid dosage forms.

"RCL-Pooling Assay": A Simplified Method for the Detection of Replication-Competent Lentiviruses in Vector Batches Using Sequential Pooling.

PubMed

Corre, Guillaume; Dessainte, Michel; Marteau, Jean-Brice; Dalle, Bruno; Fenard, David; Galy, Anne

2016-02-01

Nonreplicative recombinant HIV-1-derived lentiviral vectors (LV) are increasingly used in gene therapy of various genetic diseases, infectious diseases, and cancer. Before they are used in humans, preparations of LV must undergo extensive quality control testing. In particular, testing of LV must demonstrate the absence of replication-competent lentiviruses (RCL) with suitable methods, on representative fractions of vector batches. Current methods based on cell culture are challenging because high titers of vector batches translate into high volumes of cell culture to be tested in RCL assays. As vector batch size and titers are continuously increasing because of the improvement of production and purification methods, it became necessary for us to modify the current RCL assay based on the detection of p24 in cultures of indicator cells. Here, we propose a practical optimization of this method using a pairwise pooling strategy enabling easier testing of higher vector inoculum volumes. These modifications significantly decrease material handling and operator time, leading to a cost-effective method, while maintaining optimal sensibility of the RCL testing. This optimized "RCL-pooling assay" ameliorates the feasibility of the quality control of large-scale batches of clinical-grade LV while maintaining the same sensitivity.

Characterizing NZ equilibration in dynamically deformed system at 15, 25, 35 and 45 MeV/nucleon

NASA Astrophysics Data System (ADS)

Jedele, Andrea

2017-09-01

Neutron-proton equilibration is sensitive to the asymmetry energy in the nuclear equation of state. The process is governed by the contact time between the colliding nuclei and the gradient of the potential driving the equilibration. Recent work has shown NZ equilibration between the two largest fragments originating from the excited projectile-like fragment (PLF*) follows first-order kinetics in 70Zn, 64Zn and 64Ni symmetric reaction systems at 35 MeV/nucleon. The rate constant extracted was 3 zs-1, corresponding to a mean equilibration lifetime of 0.3 zs. An experiment has been proposed to examine the characteristics of NZ equilibration in 40Ca+ 64 , 70Zn at 15, 25, 35 and 45 MeV/nucleon with the NIMROD array.

A Methodology for Characterizing Potential Uranium Transport in Deep Geological Disposal Sites

NASA Astrophysics Data System (ADS)

Dittrich, T. M.; Reimus, P. W.

2013-12-01

In order to make safe and reasonable decisions about radioactive waste disposal in deep geologic sites, it is important to understand the fate and potential transport of long half-life transuranic radionuclides over a wide range of time and distance scales. The objective of this study was to evaluate and demonstrate new experimental methods for quantifying the potential for actinide transport in deep fractured crystalline rock formations. We selected a fractured/weathered granodiorite at the Grimsel Test Site (GTS) in Switzerland as a model system because field experiments involving uranium, as well as other actinides, have already been conducted. Working on this system provides a unique opportunity to compare lab experimental results with field-scale observations. Drilled rock cores and weathered fracture fill material (FFM) from the GTS were shipped to Los Alamos National Laboratory, characterized by x-ray diffraction and microscopy, and used in batch sorption/desorption and column breakthrough experiments. Uranium solutions were made by adding uranium to a synthetic Grimsel groundwater that matched the natural water chemistry found in the GTS groundwater. Batch and breakthrough experiments were conducted using solutions between pH 6.9 and 9.0. All column experiments were conducted using syringe pumps at low flow rate (<0.3 ml h-1) in small columns containing 5 g of material with pore volumes of 2-3 ml. These small columns allow rapid and economical evaluation of sorption/desorption behavior under flowing conditions (and in duplicate or triplicate). Solutions were switched to uranium-free synthetic Grimsel groundwater after equilibration in batch experiments or after near-steady uranium breakthrough occurred in column experiments. The measurement of uranium concentrations as a function of time under these conditions allowed interrogation of desorption rates which we believe control uranium fate and transport over long time and distance scales. Uranium transport was conservative and matched tritium breakthrough for pH 9.0; however, retardation increased when pH was reduced to 7.9 and 6.9. We are currently evaluating uranium adsorption/desorption rates as a function of water chemistry (initial focus on pH), with future testing planned to evaluate the influence of carbonate concentrations, flow rates, mineralogy, bentonite colloids and other actinides (e.g., Am). Figure 1. Uranium breakthrough results for (a) 6.5 μM U, (b) U-free solution, (c) flow rate increased from 0.3 to 0.6 mL h-1, (d) pH increased from 6.8 to 7.2, and (e) pH increased from 7.2 to 8.8.

Bacteriophage PRD1 batch experiments to study attachment, detachment and inactivation processes

NASA Astrophysics Data System (ADS)

Sadeghi, Gholamreza; Schijven, Jack F.; Behrends, Thilo; Hassanizadeh, S. Majid; van Genuchten, Martinus Th.

2013-09-01

Knowledge of virus removal in subsurface environments is pivotal for assessing the risk of viral contamination of water resources and developing appropriate protection measures. Columns packed with sand are frequently used to quantify attachment, detachment and inactivation rates of viruses. Since column transport experiments are very laborious, a common alternative is to perform batch experiments where usually one or two measurements are done assuming equilibrium is reached. It is also possible to perform kinetic batch experiments. In that case, however, it is necessary to monitor changes in the concentration with time. This means that kinetic batch experiments will be almost as laborious as column experiments. Moreover, attachment and detachment rate coefficients derived from batch experiments may differ from those determined using column experiments. The aim of this study was to determine the utility of kinetic batch experiments and investigate the effects of different designs of the batch experiments on estimated attachment, detachment and inactivation rate coefficients. The experiments involved various combinations of container size, sand-water ratio, and mixing method (i.e., rolling or tumbling by pivoting the tubes around their horizontal or vertical axes, respectively). Batch experiments were conducted with clean quartz sand, water at pH 7 and ionic strength of 20 mM, and using the bacteriophage PRD1 as a model virus. Values of attachment, detachment and inactivation rate coefficients were found by fitting an analytical solution of the kinetic model equations to the data. Attachment rate coefficients were found to be systematically higher under tumbling than under rolling conditions because of better mixing and more efficient contact of phages with the surfaces of the sand grains. In both mixing methods, more sand in the container yielded higher attachment rate coefficients. A linear increase in the detachment rate coefficient was observed with increased solid-water ratio using tumbling method. Given the differences in the attachment rate coefficients, and assuming the same sticking efficiencies since chemical conditions of the batch and column experiments were the same, our results show that collision efficiencies of batch experiments are not the same as those of column experiments. Upscaling of the attachment rate from batch to column experiments hence requires proper understanding of the mixing conditions. Because batch experiments, in which the kinetics are monitored, are as laborious as column experiments, there seems to be no major advantage in performing batch instead of column experiments.

An approach to optimize the batch mixing process for improving the quality consistency of the products made from traditional Chinese medicines*

PubMed Central

Yan, Bin-jun; Qu, Hai-bin

2013-01-01

The efficacy of traditional Chinese medicine (TCM) is based on the combined effects of its constituents. Variation in chemical composition between batches of TCM has always been the deterring factor in achieving consistency in efficacy. The batch mixing process can significantly reduce the batch-to-batch quality variation in TCM extracts by mixing them in a well-designed proportion. However, reducing the quality variation without sacrificing too much of the production efficiency is one of the challenges. Accordingly, an innovative and practical batch mixing method aimed at providing acceptable efficiency for industrial production of TCM products is proposed in this work, which uses a minimum number of batches of extracts to meet the content limits. The important factors affecting the utilization ratio of the extracts (URE) were studied by simulations. The results have shown that URE was affected by the correlation between the contents of constituents, and URE decreased with the increase in the number of targets and the relative standard deviations of the contents. URE could be increased by increasing the number of storage tanks. The results have provided a reference for designing the batch mixing process. The proposed method has possible application value in reducing the quality variation in TCM and providing acceptable production efficiency simultaneously. PMID:24190450

An approach to optimize the batch mixing process for improving the quality consistency of the products made from traditional Chinese medicines.

PubMed

Yan, Bin-jun; Qu, Hai-bin

2013-11-01

The efficacy of traditional Chinese medicine (TCM) is based on the combined effects of its constituents. Variation in chemical composition between batches of TCM has always been the deterring factor in achieving consistency in efficacy. The batch mixing process can significantly reduce the batch-to-batch quality variation in TCM extracts by mixing them in a well-designed proportion. However, reducing the quality variation without sacrificing too much of the production efficiency is one of the challenges. Accordingly, an innovative and practical batch mixing method aimed at providing acceptable efficiency for industrial production of TCM products is proposed in this work, which uses a minimum number of batches of extracts to meet the content limits. The important factors affecting the utilization ratio of the extracts (URE) were studied by simulations. The results have shown that URE was affected by the correlation between the contents of constituents, and URE decreased with the increase in the number of targets and the relative standard deviations of the contents. URE could be increased by increasing the number of storage tanks. The results have provided a reference for designing the batch mixing process. The proposed method has possible application value in reducing the quality variation in TCM and providing acceptable production efficiency simultaneously.

Identifying and mitigating batch effects in whole genome sequencing data.

PubMed

Tom, Jennifer A; Reeder, Jens; Forrest, William F; Graham, Robert R; Hunkapiller, Julie; Behrens, Timothy W; Bhangale, Tushar R

2017-07-24

Large sample sets of whole genome sequencing with deep coverage are being generated, however assembling datasets from different sources inevitably introduces batch effects. These batch effects are not well understood and can be due to changes in the sequencing protocol or bioinformatics tools used to process the data. No systematic algorithms or heuristics exist to detect and filter batch effects or remove associations impacted by batch effects in whole genome sequencing data. We describe key quality metrics, provide a freely available software package to compute them, and demonstrate that identification of batch effects is aided by principal components analysis of these metrics. To mitigate batch effects, we developed new site-specific filters that identified and removed variants that falsely associated with the phenotype due to batch effect. These include filtering based on: a haplotype based genotype correction, a differential genotype quality test, and removing sites with missing genotype rate greater than 30% after setting genotypes with quality scores less than 20 to missing. This method removed 96.1% of unconfirmed genome-wide significant SNP associations and 97.6% of unconfirmed genome-wide significant indel associations. We performed analyses to demonstrate that: 1) These filters impacted variants known to be disease associated as 2 out of 16 confirmed associations in an AMD candidate SNP analysis were filtered, representing a reduction in power of 12.5%, 2) In the absence of batch effects, these filters removed only a small proportion of variants across the genome (type I error rate of 3%), and 3) in an independent dataset, the method removed 90.2% of unconfirmed genome-wide SNP associations and 89.8% of unconfirmed genome-wide indel associations. Researchers currently do not have effective tools to identify and mitigate batch effects in whole genome sequencing data. We developed and validated methods and filters to address this deficiency.

Landsat-4 (TDRSS-user) orbit determination using batch least-squares and sequential methods

NASA Technical Reports Server (NTRS)

Oza, D. H.; Jones, T. L.; Hakimi, M.; Samii, M. V.; Doll, C. E.; Mistretta, G. D.; Hart, R. C.

1992-01-01

TDRSS user orbit determination is analyzed using a batch least-squares method and a sequential estimation method. It was found that in the batch least-squares method analysis, the orbit determination consistency for Landsat-4, which was heavily tracked by TDRSS during January 1991, was about 4 meters in the rms overlap comparisons and about 6 meters in the maximum position differences in overlap comparisons. The consistency was about 10 to 30 meters in the 3 sigma state error covariance function in the sequential method analysis. As a measure of consistency, the first residual of each pass was within the 3 sigma bound in the residual space.

Statistical study of EBR-II fuel elements manufactured by the cold line at Argonne-West and by Atomics International

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

Harkness, A. L.

1977-09-01

Nine elements from each batch of fuel elements manufactured for the EBR-II reactor have been analyzed for /sup 235/U content by NDA methods. These values, together with those of the manufacturer, are used to estimate the product variance and the variances of the two measuring methods. These variances are compared with the variances computed from the stipulations of the contract. A method is derived for resolving the several variances into their within-batch and between-batch components. Some of these variance components have also been estimated by independent and more familiar conventional methods for comparison.

10 CFR 430.70 - Enforcement.

Code of Federal Regulations, 2010 CFR

2010-01-01

...), the Secretary may conduct testing of that covered product under this subpart by means of a test notice... be selected for testing, the method of selecting the test sample, the time at which testing shall be... shall select a batch, a batch sample, and test units from the batch sample in accordance with the...

Effects of various combinations of cryoprotectants and cooling speed on the survival and further development of mouse oocytes after vitrification

PubMed Central

Cha, Soo Kyung; Kim, Bo Yeun; Kim, Mi Kyung; Kim, You Shin; Lee, Woo Sik

2011-01-01

Objective The objectives of this study were to analyze efficacy of immature and mature mouse oocytes after vitrification and warming by applying various combinations of cryoprotectants (CPAs) and/or super-rapid cooling using slush nitrogen (SN2). Methods Four-week old ICR female mice were superovulated for GV- and MII-stage oocytes. Experimental groups were divided into two groups. Ethylene glycol (EG) only group: pre-equilibrated with 1.5 M EG for 2.5 minutes and then equilibrated with 5.5 M EG and 1.0 M sucrose for 20 seconds. EG+dimethylsulfoxide (DMSO) group: pre-equilibrated with 1.3 M EG+1.1 M DMSO for 2.5 minutes and equilibrated with 2.7 M EG+2.1 M DMSO+0.5 M sucrose for 20 seconds. The oocytes were loaded onto grids and plunged into SN2 or liquid nitrogen (LN2). Stored oocytes were warmed by a five-step method, and then their survival, maturation, cleavage, and developmental rates were observed. Results The EG only and EG+DMSO groups showed no significant difference in survival of immature oocytes vitrified after warming. However, maturation and cleavage rates after conventional insemination were greater in the EG only group than in the EG+DMSO group. In mature oocytes, survival, cleavage, and blastocyst formation rates after warming showed no significant difference when EG only or EG+DMSO was applied. Furthermore, cleavage and blastocyst formation rates of MII oocytes vitrified using SN2 were increased in both the EG only and EG+DMSO groups. Conclusion A combination of CPAs in oocyte cryopreservation could be formulated according to the oocyte stage. In addition, SN2 may improve the efficiency of vitrification by reducing cryoinjury. PMID:22384414

History by history statistical estimators in the BEAM code system.

PubMed

Walters, B R B; Kawrakow, I; Rogers, D W O

2002-12-01

A history by history method for estimating uncertainties has been implemented in the BEAMnrc and DOSXYznrc codes replacing the method of statistical batches. This method groups scored quantities (e.g., dose) by primary history. When phase-space sources are used, this method groups incident particles according to the primary histories that generated them. This necessitated adding markers (negative energy) to phase-space files to indicate the first particle generated by a new primary history. The new method greatly reduces the uncertainty in the uncertainty estimate. The new method eliminates one dimension (which kept the results for each batch) from all scoring arrays, resulting in memory requirement being decreased by a factor of 2. Correlations between particles in phase-space sources are taken into account. The only correlations with any significant impact on uncertainty are those introduced by particle recycling. Failure to account for these correlations can result in a significant underestimate of the uncertainty. The previous method of accounting for correlations due to recycling by placing all recycled particles in the same batch did work. Neither the new method nor the batch method take into account correlations between incident particles when a phase-space source is restarted so one must avoid restarts.

Carbon isotope constraints on degassing of carbon dioxide from Kilauea Volcano

USGS Publications Warehouse

Gerlach, T.M.; Taylor, B.E.

1990-01-01

We examine models for batch-equilibrium and fractional-equilibrium degassing of CO2 from magma at Kilauea Volcano. The models are based on 1. (1) the concept of two-stage degassing of CO2 from magma supplied to the summit chamber, 2. (2) C isotope data for CO2 in eruptive and noneruptive (quiescent) gases from Kilauea and 3. (3) data for the isotopic fractionation of C between CO2 and C dissolved in tholeiitic basalt melt. The results of our study indicate that 1. (1) both eruptive and noneruptive degassing of CO2 most closely approach a batch equilibrium process, 2. (2) the ??13C of parental magma supplied to the summit chamber is in the range -4.1 to-3.4??? and 3. (3) the ??13C of melt after summit chamber degassing is in the range -7 to -8???, depending upon the depth of equilibration. We also present ??13C data for CO2 in eruptive gases from the current East Rift Zone eruption. These are the first C isotope data for CO2 in high-temperature (>900??C) eruptive gases from Kilauea; they have a mean ??13C value of -7.82 ?? 0.24??? and are similar to those predicted for the melt after summit chamber degassing. The minor role played by fractional degassing of ascending magma at Kilauea means that exsolved CO2 tends to remain entrained in and coherent with its host melt during ascent from both mantle source regions and crustal magma reservoirs. This has important implications for magma dynamics at Kilauea. ?? 1990.

Pyrethroid sorption to Sacramento River suspended solids and bed sediments.

PubMed

Fojut, Tessa L; Young, Thomas M

2011-04-01

Sorption of pyrethroid insecticides to solid materials will typically dominate the fate and transport of these hydrophobic compounds in aquatic environments. Batch reactor isotherm experiments were performed with bifenthrin and λ-cyhalothrin with suspended material and bed sediment collected from the Sacramento River, California, USA. These batch reactor experiments were performed with low spiking concentrations and a long equilibration time (28 d) to be more relevant to environmental conditions. Sorption to suspended material and bed sediment was compared to examine the role of differential sorption between these phases in the environmental transport of pyrethroids. The equilibrium sorption data were fit to the Freundlich isotherm model and fit with r(2)  > 0.87 for all experiments. Freundlich exponents ranged from 0.72 ± 0.19 to 1.07 ± 0.050, indicating sorption nonlinearity for some of the experimental conditions and linearity for others over the concentration range tested. The Freundlich capacity factors were larger for the suspended solids than for the bed sediments, and the suspended material had a higher specific surface area and higher organic carbon content compared to the bed sediment. Calculated organic carbon-normalized distribution coefficients were larger than those previously reported in the literature, by approximately an order of magnitude, and ranged from 10(6.16) to 10(6.68) at an equilibrium aqueous concentration of 0.1 µg/L. Higher than expected sorption of pyrethroids to the tested materials may be explained by sorption to black carbon and/or mineral surfaces. Copyright © 2011 SETAC.

Effects of an extension of the equilibration period up to 96 hours on the characteristics of cryopreserved bull semen.

PubMed

Fleisch, A; Malama, E; Witschi, U; Leiding, C; Siuda, M; Janett, F; Bollwein, H

2017-02-01

This study was designed to investigate the effects of an equilibration period up to 96 hours and three extenders (AndroMed, OPTIXcell, and Triladyl) on the quality of cryopreserved bull semen and to evaluate, whether an extension of the equilibration time to 72 hours does affect fertility in the field. One ejaculate of 17 bulls was collected and divided into three equal aliquots and diluted, respectively, with the three extenders. Each aliquot was again divided into five parts and equilibrated for 4, 24, 48, 72, and 96 hours before freezing in an automatic freezer. Sperm motility, plasma membrane and acrosome integrity (PMAI), and DNA fragmentation index (% DFI) were measured during equilibration. In addition to the parameters measured during equilibration, the percentage of viable sperm cells with high mitochondrial membrane potential (HMMP) was measured immediately after thawing, and after 3 hours of incubation at 37 °C. Sperm motility was assessed using CASA, and PMAI, HMMP, and % DFI were measured using flow cytometry. Equilibration time did affect all parameters before freezing (P < 0.01), and also the extender affected all parameters except HMMP (P < 0.05). After thawing, all parameters except HMMP immediately after thawing were influenced by the equilibration period (P < 0.001), whereas all parameters except % DFI immediately after thawing were influenced by the extender (P < 0.001). The changes of semen characteristics during 3 hours of incubation were also dependent on the equilibration time and the extender used in all parameters (P < 0.01). In the field study, semen of nine bulls was collected thrice weekly, processed using Triladyl egg yolk extender, and frozen in 0.25 mL straws with 15 × 10 6 spermatozoa per straw. In total, the nonreturn rates on Day 90 after insemination (NRR90) of 263,816 inseminations in two periods were evaluated. Whereas semen collected on Mondays and Wednesdays was equilibrated for 24 hours in both periods, semen collected on Fridays was equilibrated for 4 hours in period one and equilibrated for 72 hours in period 2. No differences in NRR90 could be found (P > 0.05). In conclusion, extension of the equilibration time from 4 hours to 24-72 hours can improve motility and viability of cryopreserved semen after thawing. The extent of improvement in semen quality is dependent on the extender used. Prolongation of the equilibration period from 4 hours to 72 hours had no effect on fertility in the field. Copyright © 2016 Elsevier Inc. All rights reserved.

Importance of equilibration time in the partitioning and toxicity of zinc in spiked sediment bioassays

USGS Publications Warehouse

Lee, J.-S.; Lee, B.-G.; Luoma, S.N.; Yoo, H.

2004-01-01

The influences of spiked Zn concentrations (1-40 ??mol/g) and equilibration time (???95 d) on the partitioning of Zn between pore water (PW) and sediment were evaluated with estuarine sediments containing two levels (5 and 15 ??mol/g) of acid volatile sulfides (AVS). Their influence on Zn bioavailability was also evaluated by a parallel, 10-d amphipod (Leptocheirus plumulosus) mortality test at 5, 20, and 85 d of equilibration. During the equilibration, AVS increased (up to twofold) with spiked Zn concentration ([Zn]), whereas Zn-simultaneously extracted metals ([SEM]; Zn with AVS) remained relatively constant. Concentrations of Zn in PW decreased most rapidly during the initial 30 d and by 11- to 23-fold during the whole 95-d equilibration period. The apparent partitioning coefficient (Kpw, ratio of [Zn] in SEM to PW) increased by 10- to 20-fold with time and decreased with spiked [Zn] in sediments. The decrease of PW [Zn] could be explained by a combination of changes in AVS and redistribution of Zn into more insoluble phases as the sediment aged. Amphipod mortality decreased significantly with the equilibration time, consistent with decrease in dissolved [Zn]. The median lethal concentration (LC50) value (33 ??M) in the second bioassay, conducted after 20 d of equilibration, was twofold the LC50 in the initial bioassay at 5 d of equilibration, probably because of the change of dissolved Zn speciation. Sediment bioassay protocols employing a short equilibration time and high spiked metal concentrations could accentuate partitioning of metals to the dissolved phase and shift the pathway for metal exposure toward the dissolved phase.

Root Cause Analysis of Quality Defects Using HPLC-MS Fingerprint Knowledgebase for Batch-to-batch Quality Control of Herbal Drugs.

PubMed

Yan, Binjun; Fang, Zhonghua; Shen, Lijuan; Qu, Haibin

2015-01-01

The batch-to-batch quality consistency of herbal drugs has always been an important issue. To propose a methodology for batch-to-batch quality control based on HPLC-MS fingerprints and process knowledgebase. The extraction process of Compound E-jiao Oral Liquid was taken as a case study. After establishing the HPLC-MS fingerprint analysis method, the fingerprints of the extract solutions produced under normal and abnormal operation conditions were obtained. Multivariate statistical models were built for fault detection and a discriminant analysis model was built using the probabilistic discriminant partial-least-squares method for fault diagnosis. Based on multivariate statistical analysis, process knowledge was acquired and the cause-effect relationship between process deviations and quality defects was revealed. The quality defects were detected successfully by multivariate statistical control charts and the type of process deviations were diagnosed correctly by discriminant analysis. This work has demonstrated the benefits of combining HPLC-MS fingerprints, process knowledge and multivariate analysis for the quality control of herbal drugs. Copyright © 2015 John Wiley & Sons, Ltd.

Equilibration in finite Bose systems

NASA Astrophysics Data System (ADS)

Wolschin, Georg

2018-06-01

The equilibration of a finite Bose system is modeled using a gradient expansion of the collision integral that leads to a nonlinear transport equation. For constant transport coefficients, it is solved in closed form through a nonlinear transformation. Using schematic initial conditions, the exact solution and the equilibration time are derived and compared to the corresponding case for fermions. Applications to the fast equilibration of the gluon system created initially in relativistic heavy-ion collisions, and to cold quantum gases are envisaged.

Bacteriophage PRD1 batch experiments to study attachment, detachment and inactivation processes.

PubMed

Sadeghi, Gholamreza; Schijven, Jack F; Behrends, Thilo; Hassanizadeh, S Majid; van Genuchten, Martinus Th

2013-09-01

Knowledge of virus removal in subsurface environments is pivotal for assessing the risk of viral contamination of water resources and developing appropriate protection measures. Columns packed with sand are frequently used to quantify attachment, detachment and inactivation rates of viruses. Since column transport experiments are very laborious, a common alternative is to perform batch experiments where usually one or two measurements are done assuming equilibrium is reached. It is also possible to perform kinetic batch experiments. In that case, however, it is necessary to monitor changes in the concentration with time. This means that kinetic batch experiments will be almost as laborious as column experiments. Moreover, attachment and detachment rate coefficients derived from batch experiments may differ from those determined using column experiments. The aim of this study was to determine the utility of kinetic batch experiments and investigate the effects of different designs of the batch experiments on estimated attachment, detachment and inactivation rate coefficients. The experiments involved various combinations of container size, sand-water ratio, and mixing method (i.e., rolling or tumbling by pivoting the tubes around their horizontal or vertical axes, respectively). Batch experiments were conducted with clean quartz sand, water at pH 7 and ionic strength of 20 mM, and using the bacteriophage PRD1 as a model virus. Values of attachment, detachment and inactivation rate coefficients were found by fitting an analytical solution of the kinetic model equations to the data. Attachment rate coefficients were found to be systematically higher under tumbling than under rolling conditions because of better mixing and more efficient contact of phages with the surfaces of the sand grains. In both mixing methods, more sand in the container yielded higher attachment rate coefficients. A linear increase in the detachment rate coefficient was observed with increased solid-water ratio using tumbling method. Given the differences in the attachment rate coefficients, and assuming the same sticking efficiencies since chemical conditions of the batch and column experiments were the same, our results show that collision efficiencies of batch experiments are not the same as those of column experiments. Upscaling of the attachment rate from batch to column experiments hence requires proper understanding of the mixing conditions. Because batch experiments, in which the kinetics are monitored, are as laborious as column experiments, there seems to be no major advantage in performing batch instead of column experiments. Copyright © 2013 Elsevier B.V. All rights reserved.

Verification Of The Defense Waste Processing Facility's (DWPF) Process Digestion Methods For The Sludge Batch 8 Qualification Sample

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

Click, D. R.; Edwards, T. B.; Wiedenman, B. J.

2013-03-18

This report contains the results and comparison of data generated from inductively coupled plasma – atomic emission spectroscopy (ICP-AES) analysis of Aqua Regia (AR), Sodium Peroxide/Sodium Hydroxide Fusion Dissolution (PF) and Cold Chem (CC) method digestions and Cold Vapor Atomic Absorption analysis of Hg digestions from the DWPF Hg digestion method of Sludge Batch 8 (SB8) Sludge Receipt and Adjustment Tank (SRAT) Receipt and SB8 SRAT Product samples. The SB8 SRAT Receipt and SB8 SRAT Product samples were prepared in the SRNL Shielded Cells, and the SRAT Receipt material is representative of the sludge that constitutes the SB8 Batch ormore » qualification composition. This is the sludge in Tank 51 that is to be transferred into Tank 40, which will contain the heel of Sludge Batch 7b (SB7b), to form the SB8 Blend composition.« less

76 FR 4897 - Submission for OMB Review; OMB Control No. 3090-0291; FSRS Registration and Prime Awardee Entity...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-27

... methods for submitting multiple FFATA subaward reports: A batch upload template using Microsoft Excel, an... three methods for submitting multiple FFATA subaward reports: A batch upload template using Microsoft Excel, an XML report submission template and an XML web service. These methods do take advantage of the...

Unshocked Equilibrated H Chondrites: A Common Low-Temperature Record from Fe-Mg Ordering in Orthopyroxene

NASA Astrophysics Data System (ADS)

Folco, L.; Mellini, M.; Pillinger, C. T.

1995-09-01

The study of the thermal metamorphism of ordinary chondrites through geothermometers can provide significant constraints on the parent body thermal models which remain controversial. We report here results from Fe-Mg ordering closure temperatures (Tc) of orthopyroxenes from eight unshocked equilibrated H-chondrites obtained by means of single crystal X-ray diffraction. The method is based on the fact that cation partitioning in orthopyroxene is sensitive to temperature [1], and makes use of the experimental calibration by Molin et al. [2]. The goal of the investigation is to check how petrographic types relate to cation ordering thermal records. Results: The orthopyroxenes show a very similar degree of Fe-Mg ordering (see Table 1.). The Tc's cluster within the 384+/-48 to 480+/-28 degrees C interval, and show no correlation with petrographic type. The lack of a correlation does not mean that the distribution is random, rather, it appears to be controlled in individual samples by the degree of equilibration. In fact, the higher the petrographic type, the more coherent the results of the grains from individual chondrites. The spread of Tc's in the least equilibrated chondrites could be either a memory of heterogeneous pre-metamorphic records related to individual chondrule histories, or an artefact due to crystal defects. Therefore (1) the thermal records, inferred from the Fe-Mg ordering, are nearly the same for all the equilibrated H-chondrites; (2) the most equilibrated chondrites record distinct Tc values within the larger common Tc range; (3) the spread of Tc in H4's maybe indicative of disequilibrium and merits further study. The closure temperature conveys information on the cooling rate close to its value, regardless of the temperature regimes when the ordering process started. Extrapolation to high temperatures can be made only if the cooling path is constrained. Since we have no data to establish the temperature when ordering began and to decide whether the cooling was linear, we have not attempted quantitative estimates of cooling rates. However we can say that as equilibrated H-chondrites carry similar Tc records, they cooled at similar rates through 380-480 degrees C. However, the k(sub)D's (i.e., the intracrystalline Fe-Mg distribution coefficient) range 0.029 to 0.054, suggesting that H-chondrites cooled in petrogenetic environments intermediate between those of volcanic [3] and granulitic rocks [3,4]. Conclusion: Our results provide the following constraints: (1) Equilibrated H-chondrites, regardless the petrographic type, were located in petrogenetic environments characterized by similar temperature-time conditions when cooling through 380-480 degrees C, and, in terms of terrestrial environments, intermediate between those of volcanic and granulitic facies. (2) Different petrographic types reflect distinct metamorphic thermal regimes. Thus, to account for constraint (1), petrographic type was determined at temperatures above the 380-480 degrees C interval. This implies that equilibrated H-chondrites were placed in different geological environments characterized by distinct temperature-time regimes when still above this temperature range. In the case of the least equilibrated chondrites, for which the two events could coincide. Acknowledgments: We thank EUROMET for providing us with the Frontier Mt. samples, and PNRA for supporting this study. References: [1] Saxena S. K. and Dal Negro A. (1983) Bull. Min ral., 106, 443-449. [2] Molin G. M. et al. (1991) EPSL, 105, 260-265. [3] Bertolo S. and Nimis P. (1993) EJM, 5, 707-719. [4] Tribaudino M. and Talarico F. (1992) EJM, 4, 453-463.

Medication Waste Reduction in Pediatric Pharmacy Batch Processes

PubMed Central

Veltri, Michael A.; Hamrock, Eric; Mollenkopf, Nicole L.; Holt, Kristen; Levin, Scott

2014-01-01

OBJECTIVES: To inform pediatric cart-fill batch scheduling for reductions in pharmaceutical waste using a case study and simulation analysis. METHODS: A pre and post intervention and simulation analysis was conducted during 3 months at a 205-bed children's center. An algorithm was developed to detect wasted medication based on time-stamped computerized provider order entry information. The algorithm was used to quantify pharmaceutical waste and associated costs for both preintervention (1 batch per day) and postintervention (3 batches per day) schedules. Further, simulation was used to systematically test 108 batch schedules outlining general characteristics that have an impact on the likelihood for waste. RESULTS: Switching from a 1-batch-per-day to a 3-batch-per-day schedule resulted in a 31.3% decrease in pharmaceutical waste (28.7% to 19.7%) and annual cost savings of $183,380. Simulation results demonstrate how increasing batch frequency facilitates a more just-in-time process that reduces waste. The most substantial gains are realized by shifting from a schedule of 1 batch per day to at least 2 batches per day. The simulation exhibits how waste reduction is also achievable by avoiding batch preparation during daily time periods where medication administration or medication discontinuations are frequent. Last, the simulation was used to show how reducing batch preparation time per batch provides some, albeit minimal, opportunity to decrease waste. CONCLUSIONS: The case study and simulation analysis demonstrate characteristics of batch scheduling that may support pediatric pharmacy managers in redesign toward minimizing pharmaceutical waste. PMID:25024671

Fault detection and diagnosis in an industrial fed-batch cell culture process.

PubMed

Gunther, Jon C; Conner, Jeremy S; Seborg, Dale E

2007-01-01

A flexible process monitoring method was applied to industrial pilot plant cell culture data for the purpose of fault detection and diagnosis. Data from 23 batches, 20 normal operating conditions (NOC) and three abnormal, were available. A principal component analysis (PCA) model was constructed from 19 NOC batches, and the remaining NOC batch was used for model validation. Subsequently, the model was used to successfully detect (both offline and online) abnormal process conditions and to diagnose the root causes. This research demonstrates that data from a relatively small number of batches (approximately 20) can still be used to monitor for a wide range of process faults.

An Integer Batch Scheduling Model for a Single Machine with Simultaneous Learning and Deterioration Effects to Minimize Total Actual Flow Time

NASA Astrophysics Data System (ADS)

Yusriski, R.; Sukoyo; Samadhi, T. M. A. A.; Halim, A. H.

2016-02-01

In the manufacturing industry, several identical parts can be processed in batches, and setup time is needed between two consecutive batches. Since the processing times of batches are not always fixed during a scheduling period due to learning and deterioration effects, this research deals with batch scheduling problems with simultaneous learning and deterioration effects. The objective is to minimize total actual flow time, defined as a time interval between the arrival of all parts at the shop and their common due date. The decision variables are the number of batches, integer batch sizes, and the sequence of the resulting batches. This research proposes a heuristic algorithm based on the Lagrange Relaxation. The effectiveness of the proposed algorithm is determined by comparing the resulting solutions of the algorithm to the respective optimal solution obtained from the enumeration method. Numerical experience results show that the average of difference among the solutions is 0.05%.

Effect of storage temperature and equilibration time on polymethyl methacrylate (PMMA) bone cement polymerization in joint replacement surgery.

PubMed

Koh, Bryan T H; Tan, J H; Ramruttun, Amit Kumarsing; Wang, Wilson

2015-11-17

In cemented joint arthroplasty, the handling characteristics (doughing, working, and setting times) of polymethyl methacrylate (PMMA) bone cement is important as it determines the amount of time surgeons have to optimally position an implant. Storage conditions (temperature and humidity) and the time given for PMMA cement to equilibrate to ambient operating theater (OT) temperatures are often unregulated and may lead to inconsistencies in its handling characteristics. This has not been previously studied. Hence, the purpose of this study was to investigate the effect of storage temperatures on the handling characteristics of PMMA cement and the duration of equilibration time needed at each storage temperature to produce consistent and reproducible doughing, setting, and working times. SmartSet® HV cement was stored at three different controlled temperatures: 20 °C (control), 24 °C, and 28 °C for at least 24 h prior to mixing. The cement components were then brought into a room kept at 20 °C and 50 % humidity. Samples were allowed to equilibrate to ambient conditions for 15, 30, 45, and 60 min. The cement components were mixed and the dough time, temperature-versus-time curve (Lutron TM-947SD, Lutron Electronics, Inc., Coopersburg, PA), and setting time were recorded. Analysis was performed using the two-way ANOVA test (IBM SPSS Statistics V.22). At 20 °C (control) storage temperature, the mean setting time was 534 ± 17 s. At 24 °C storage temperature, the mean setting time was 414 ± 6 s (p < 0.001*) with 15 min of equilibration, 446 ± 11 s (p < 0.001*) with 30 min of equilibration, 501 ± 12 s (p < 0.001*) with 45 min of equilibration, and 528 ± 15 (p > 0.05) with 60 min of equilibration. At 28 °C storage temperature, the mean setting time was 381 ± 8 s (p < 0.001*) with 15 min of equilibration, 432 ± 30 s (p < 0.001*) with 30 min of equilibration, 487 ± 9 (p < 0.001*) with 45 min of equilibration, and 520 ± 16 s (p > 0.05) with 60 min of equilibration. This study reflects the extent to which storage temperatures and equilibration times can potentially affect the handling characteristics of PMMA cement. We recommend institutions to have a well-regulated temperature and humidity-controlled facility for storage of bone cements and a protocol to standardize the equilibration time of cements prior to use in the OT to improve consistency and reproducibility of the handling characteristics of PMMA cement.

Nanocrystal synthesis in microfluidic reactors: where next?

PubMed

Phillips, Thomas W; Lignos, Ioannis G; Maceiczyk, Richard M; deMello, Andrew J; deMello, John C

2014-09-07

The past decade has seen a steady rise in the use of microfluidic reactors for nanocrystal synthesis, with numerous studies reporting improved reaction control relative to conventional batch chemistry. However, flow synthesis procedures continue to lag behind batch methods in terms of chemical sophistication and the range of accessible materials, with most reports having involved simple one- or two-step chemical procedures directly adapted from proven batch protocols. Here we examine the current status of microscale methods for nanocrystal synthesis, and consider what role microreactors might ultimately play in laboratory-scale research and industrial production.

Batch Model for Batched Timestamps Data Analysis with Application to the SSA Disability Program

PubMed Central

Yue, Qingqi; Yuan, Ao; Che, Xuan; Huynh, Minh; Zhou, Chunxiao

2016-01-01

The Office of Disability Adjudication and Review (ODAR) is responsible for holding hearings, issuing decisions, and reviewing appeals as part of the Social Security Administration’s disability determining process. In order to control and process cases, the ODAR has established a Case Processing and Management System (CPMS) to record management information since December 2003. The CPMS provides a detailed case status history for each case. Due to the large number of appeal requests and limited resources, the number of pending claims at ODAR was over one million cases by March 31, 2015. Our National Institutes of Health (NIH) team collaborated with SSA and developed a Case Status Change Model (CSCM) project to meet the ODAR’s urgent need of reducing backlogs and improve hearings and appeals process. One of the key issues in our CSCM project is to estimate the expected service time and its variation for each case status code. The challenge is that the systems recorded job departure times may not be the true job finished times. As the CPMS timestamps data of case status codes showed apparent batch patterns, we proposed a batch model and applied the constrained least squares method to estimate the mean service times and the variances. We also proposed a batch search algorithm to determine the optimal batch partition, as no batch partition was given in the real data. Simulation studies were conducted to evaluate the performance of the proposed methods. Finally, we applied the method to analyze a real CPMS data from ODAR/SSA. PMID:27747132

Cold Pad-Batch dyeing method for cotton fabric dyeing with reactive dyes using ultrasonic energy.

PubMed

Khatri, Zeeshan; Memon, Muhammad Hanif; Khatri, Awais; Tanwari, Anwaruddin

2011-11-01

Reactive dyes are vastly used in dyeing and printing of cotton fibre. These dyes have a distinctive reactive nature due to active groups which form covalent bonds with -OH groups of cotton through substitution and/or addition mechanism. Among many methods used for dyeing cotton with reactive dyes, the Cold Pad Batch (CPB) method is relatively more environment friendly due to high dye fixation and non requirement of thermal energy. The dyed fabric production rate is low due to requirement of at least twelve hours batching time for dye fixation. The proposed CPB method for dyeing cotton involves ultrasonic energy resulting into a one third decrease in batching time. The dyeing of cotton fibre was carried out with CI reactive red 195 and CI reactive black 5 by conventional and ultrasonic (US) method. The study showed that the use of ultrasonic energy not only shortens the batching time but the alkalis concentrations can considerably be reduced. In this case, the colour strength (K/S) and dye fixation (%F) also enhances without any adverse effect on colour fastness of the dyed fabric. The appearance of dyed fibre surface using scanning electron microscope (SEM) showed relative straightening of fibre convolutions and significant swelling of the fibre upon ultrasonic application. The total colour difference values ΔE (CMC) for the proposed method, were found within close proximity to the conventionally dyed sample. Copyright © 2011 Elsevier B.V. All rights reserved.

How long does it take to equilibrate the unfolded state of a protein?

PubMed Central

Levy, Ronald M; Dai, Wei; Deng, Nan-Jie; Makarov, Dmitrii E

2013-01-01

How long does it take to equilibrate the unfolded state of a protein? The answer to this question has important implications for our understanding of why many small proteins fold with two state kinetics. When the equilibration within the unfolded state U is much faster than the folding, the folding kinetics will be two state even if there are many folding pathways with different barriers. Yet the mean first passage times (MFPTs) between different regions of the unfolded state can be much longer than the folding time. This seems to imply that the equilibration within U is much slower than the folding. In this communication we resolve this paradox. We present a formula for estimating the time to equilibrate the unfolded state of a protein. We also present a formula for the MFPT to any state within U, which is proportional to the average lifetime of that state divided by the state population. This relation is valid when the equilibration within U is very fast as compared with folding as it often is for small proteins. To illustrate the concepts, we apply the formulas to estimate the time to equilibrate the unfolded state of Trp-cage and MFPTs within the unfolded state based on a Markov State Model using an ultra-long 208 microsecond trajectory of the miniprotein to parameterize the model. The time to equilibrate the unfolded state of Trp-cage is ∼100 ns while the typical MFPTs within U are tens of microseconds or longer. PMID:23963761

What can the Hf–W System tell Us About the Mechanism and Timing of Earth's Core Formation?

NASA Astrophysics Data System (ADS)

Fischer, R. A.; Nimmo, F.; O'Brien, D. P.

2018-05-01

Strong tradeoff between effects of depth and extent of metal-silicate equilibration and formation timescale on the Hf-W system. Whole mantle equilibration requires k = 0.4. Later formation times require less equilibration to match Earth's anomaly.

Cell-controlled hybrid perfusion fed-batch CHO cell process provides significant productivity improvement over conventional fed-batch cultures.

PubMed

Hiller, Gregory W; Ovalle, Ana Maria; Gagnon, Matthew P; Curran, Meredith L; Wang, Wenge

2017-07-01

A simple method originally designed to control lactate accumulation in fed-batch cultures of Chinese Hamster Ovary (CHO) cells has been modified and extended to allow cells in culture to control their own rate of perfusion to precisely deliver nutritional requirements. The method allows for very fast expansion of cells to high density while using a minimal volume of concentrated perfusion medium. When the short-duration cell-controlled perfusion is performed in the production bioreactor and is immediately followed by a conventional fed-batch culture using highly concentrated feeds, the overall productivity of the culture is approximately doubled when compared with a highly optimized state-of-the-art fed-batch process. The technology was applied with near uniform success to five CHO cell processes producing five different humanized monoclonal antibodies. The increases in productivity were due to the increases in sustained viable cell densities. Biotechnol. Bioeng. 2017;114: 1438-1447. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Soft sensor modeling based on variable partition ensemble method for nonlinear batch processes

NASA Astrophysics Data System (ADS)

Wang, Li; Chen, Xiangguang; Yang, Kai; Jin, Huaiping

2017-01-01

Batch processes are always characterized by nonlinear and system uncertain properties, therefore, the conventional single model may be ill-suited. A local learning strategy soft sensor based on variable partition ensemble method is developed for the quality prediction of nonlinear and non-Gaussian batch processes. A set of input variable sets are obtained by bootstrapping and PMI criterion. Then, multiple local GPR models are developed based on each local input variable set. When a new test data is coming, the posterior probability of each best performance local model is estimated based on Bayesian inference and used to combine these local GPR models to get the final prediction result. The proposed soft sensor is demonstrated by applying to an industrial fed-batch chlortetracycline fermentation process.

Method and apparatus for melting glass batch

DOEpatents

Fassbender, Alexander G.; Walkup, Paul C.; Mudge, Lyle K.

1988-01-01

A glass melting system involving preheating, precalcining, and prefluxing of batch materials prior to injection into a glass furnace. The precursors are heated by convection rather than by radiation in present furnaces. Upon injection into the furnace, batch materials are intimately coated with molten flux so as to undergo or at least begin the process of dissolution reaction prior to entering the melt pool.

To Keep or Not to Keep? The Question of Crystallographic Waters for Enzyme Simulations in Organic Solvent

PubMed Central

Dahanayake, Jayangika N.; Gautam, Devaki N.; Verma, Rajni; Mitchell-Koch, Katie R.

2016-01-01

The use of enzymes in non-aqueous solvents expands the use of biocatalysts to hydrophobic substrates, with the ability to tune selectivity of reactions through solvent selection. Non-aqueous enzymology also allows for fundamental studies on the role of water and other solvents in enzyme structure, dynamics, and function. Molecular dynamics simulations serve as a powerful tool in this area, providing detailed atomic information about the effect of solvents on enzyme properties. However, a common protocol for non-aqueous enzyme simulations does not exist. If you want to simulate enzymes in non-aqueous solutions, how many and which crystallographic waters do you keep? In the present work, this question is addressed by determining which crystallographic water molecules lead most quickly to an equilibrated protein structure. Five different methods of selecting and keeping crystallographic waters are used in order to discover which crystallographic waters lead the protein structure to reach an equilibrated structure more rapidly in organic solutions. It is found that buried waters contribute most to rapid equilibration in organic solvent, with slow-diffusing waters giving similar results. PMID:27403032

Equilibration: Developing the Hard Core of the Piagetian Research Program.

ERIC Educational Resources Information Center

Rowell, J.A.

1983-01-01

Argues that the status of the concept of equilibration is classified by considering Piagetian theory as a research program in the sense elaborated in 1974 by Lakatos. A pilot study was made to examine the precision and testability of equilibration in Piaget's 1977 model.(Author/RH)

Rapid spatial equilibration of a particle in a box.

PubMed

Malabarba, Artur S L; Linden, Noah; Short, Anthony J

2015-12-01

We study the equilibration behavior of a quantum particle in a one-dimensional box, with respect to a coarse-grained position measurement (whether it lies in a certain spatial window or not). We show that equilibration in this context indeed takes place and does so very rapidly, in a time comparable to the time for the initial wave packet to reach the edges of the box. We also show that, for this situation, the equilibration behavior is relatively insensitive to the precise choice of position measurements or initial condition.

Short communication: Serum composition of milk subjected to re-equilibration by dialysis at different temperatures, after pH adjustments.

PubMed

Zhao, Zhengtao; Corredig, Milena

2016-04-01

The objective of this work was to investigate the properties of casein micelles after pH adjustment and their re-equilibration to the original pH and serum composition. Re-equilibration was carried out by dialyzing against skim milk at 2 different temperatures (4 or 22 °C). Turbidity, the average radius of the casein micelles, and the composition of the soluble phase were measured at different pH values, ranging between 5.5 and 8. Acidification led to the solubilization of colloidal calcium phosphate and decrease of the average radius of the micelles. With re-equilibration, casein dissociation occurred. In milk with pH values greater than 6.0, the average radius was recovered after re-equilibration. At pH values greater than neutral, an increase of the radius of casein micelles and increased dissociation of the casein were found. After re-equilibration, the radius of micelles and soluble protein in the serum decreased. The results were not affected by the temperature of re-equilibration. The changes to the calcium phosphate equilibrium and the dissociation of the micelles will have important consequences to the functionality of casein micelles. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Flow “Fine” Synthesis: High Yielding and Selective Organic Synthesis by Flow Methods

PubMed Central

2015-01-01

Abstract The concept of flow “fine” synthesis, that is, high yielding and selective organic synthesis by flow methods, is described. Some examples of flow “fine” synthesis of natural products and APIs are discussed. Flow methods have several advantages over batch methods in terms of environmental compatibility, efficiency, and safety. However, synthesis by flow methods is more difficult than synthesis by batch methods. Indeed, it has been considered that synthesis by flow methods can be applicable for the production of simple gasses but that it is difficult to apply to the synthesis of complex molecules such as natural products and APIs. Therefore, organic synthesis of such complex molecules has been conducted by batch methods. On the other hand, syntheses and reactions that attain high yields and high selectivities by flow methods are increasingly reported. Flow methods are leading candidates for the next generation of manufacturing methods that can mitigate environmental concerns toward sustainable society. PMID:26337828

Kinetic, equilibrium and thermodynamic studies on sorption of uranium and thorium from aqueous solutions by a selective impregnated resin containing carminic acid.

PubMed

Rahmani-Sani, Abolfazl; Hosseini-Bandegharaei, Ahmad; Hosseini, Seyyed-Hossein; Kharghani, Keivan; Zarei, Hossein; Rastegar, Ayoob

2015-04-09

In this work, the removal of uranium and thorium ions from aqueous solutions was studied by solid-liquid extraction using an advantageous extractant-impregnated resin (EIR) prepared by loading carminic acid (CA) onto Amberlite XAD-16 resin beads. Batch sorption experiments using CA/XAD-16 beads for the removal of U(VI) and Th(IV) ions were carried out as a function of several parameters, like equilibration time, metal ion concentration, etc. The equilibrium data obtained from the sorption experiments were adjusted to the Langmuir isotherm model and the calculated maximum sorption capacities in terms of monolayer sorption were in agreement with those obtained from the experiments. The experimental data on the sorption behavior of both metal ions onto the EIR beads fitted well in both Bangham and intra-particle diffusion kinetic models, indicating that the intra-particle diffusion is the rate-controlling step. The thermodynamic studies at different temperatures revealed the feasibility and the spontaneous nature of the sorption process for both uranium and thorium ions. Copyright © 2014 Elsevier B.V. All rights reserved.

A new statistic for identifying batch effects in high-throughput genomic data that uses guided principal component analysis.

PubMed

Reese, Sarah E; Archer, Kellie J; Therneau, Terry M; Atkinson, Elizabeth J; Vachon, Celine M; de Andrade, Mariza; Kocher, Jean-Pierre A; Eckel-Passow, Jeanette E

2013-11-15

Batch effects are due to probe-specific systematic variation between groups of samples (batches) resulting from experimental features that are not of biological interest. Principal component analysis (PCA) is commonly used as a visual tool to determine whether batch effects exist after applying a global normalization method. However, PCA yields linear combinations of the variables that contribute maximum variance and thus will not necessarily detect batch effects if they are not the largest source of variability in the data. We present an extension of PCA to quantify the existence of batch effects, called guided PCA (gPCA). We describe a test statistic that uses gPCA to test whether a batch effect exists. We apply our proposed test statistic derived using gPCA to simulated data and to two copy number variation case studies: the first study consisted of 614 samples from a breast cancer family study using Illumina Human 660 bead-chip arrays, whereas the second case study consisted of 703 samples from a family blood pressure study that used Affymetrix SNP Array 6.0. We demonstrate that our statistic has good statistical properties and is able to identify significant batch effects in two copy number variation case studies. We developed a new statistic that uses gPCA to identify whether batch effects exist in high-throughput genomic data. Although our examples pertain to copy number data, gPCA is general and can be used on other data types as well. The gPCA R package (Available via CRAN) provides functionality and data to perform the methods in this article. reesese@vcu.edu

Multivariate statistical process control (MSPC) using Raman spectroscopy for in-line culture cell monitoring considering time-varying batches synchronized with correlation optimized warping (COW).

PubMed

Liu, Ya-Juan; André, Silvère; Saint Cristau, Lydia; Lagresle, Sylvain; Hannas, Zahia; Calvosa, Éric; Devos, Olivier; Duponchel, Ludovic

2017-02-01

Multivariate statistical process control (MSPC) is increasingly popular as the challenge provided by large multivariate datasets from analytical instruments such as Raman spectroscopy for the monitoring of complex cell cultures in the biopharmaceutical industry. However, Raman spectroscopy for in-line monitoring often produces unsynchronized data sets, resulting in time-varying batches. Moreover, unsynchronized data sets are common for cell culture monitoring because spectroscopic measurements are generally recorded in an alternate way, with more than one optical probe parallelly connecting to the same spectrometer. Synchronized batches are prerequisite for the application of multivariate analysis such as multi-way principal component analysis (MPCA) for the MSPC monitoring. Correlation optimized warping (COW) is a popular method for data alignment with satisfactory performance; however, it has never been applied to synchronize acquisition time of spectroscopic datasets in MSPC application before. In this paper we propose, for the first time, to use the method of COW to synchronize batches with varying durations analyzed with Raman spectroscopy. In a second step, we developed MPCA models at different time intervals based on the normal operation condition (NOC) batches synchronized by COW. New batches are finally projected considering the corresponding MPCA model. We monitored the evolution of the batches using two multivariate control charts based on Hotelling's T 2 and Q. As illustrated with results, the MSPC model was able to identify abnormal operation condition including contaminated batches which is of prime importance in cell culture monitoring We proved that Raman-based MSPC monitoring can be used to diagnose batches deviating from the normal condition, with higher efficacy than traditional diagnosis, which would save time and money in the biopharmaceutical industry. Copyright © 2016 Elsevier B.V. All rights reserved.

Comparison of methods for nutrient measurement in calcareous soils: Ion-exchange resin bag, capsule, membrane, and chemical extractions

USGS Publications Warehouse

Sherrod, S.K.; Belnap, J.; Miller, M.E.

2002-01-01

Four methods for measuring quantities of 12 plant-available nutrients were compared using three sandy soils in a series of three experiments. Three of the methods use different ion-exchange resin forms—bags, capsules, and membranes—and the fourth was conventional chemical extraction. The first experiment compared nutrient extraction data from a medium of sand saturated with a nutrient solution. The second and third experiments used Nakai and Sheppard series soils from Canyonlands National Park, which are relatively high in soil carbonates. The second experiment compared nutrient extraction data provided by the four methods from soils equilibrated at two temperatures, “warm” and “cold.” The third experiment extracted nutrients from the same soils in a field equilibration. Our results show that the four extraction techniques are not comparable. This conclusion is due to differences among the methods in the net quantities of nutrients extracted from equivalent soil volumes, in the proportional representation of nutrients within similar soils and treatments, in the measurement of nutrients that were added in known quantities, and even in the order of nutrients ranked by net abundance. We attribute the disparities in nutrient measurement among the different resin forms to interacting effects of the inherent differences in resin exchange capacity, differences among nutrients in their resin affinities, and possibly the relatively short equilibration time for laboratory trials. One constraint for measuring carbonate-related nutrients in high-carbonate soils is the conventional ammonium acetate extraction method, which we suspect of dissolving fine CaCO3 particles that are more abundant in Nakai series soils, resulting in erroneously high Ca2+ estimates. For study of plant-available nutrients, it is important to identify the nutrients of foremost interest and understand differences in their resin sorption dynamics to determine the most appropriate extraction method.

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

Yeo, Jingjie; Cheng, Yuan; Li, Weifeng

A novel method of atomistic modelling and characterization of both pure ceramide and mixed lipid bilayers is being developed, using only the General Amber ForceField. Lipid bilayers modelled as pure ceramides adopt hexagonal packing after equilibration, and the area per lipid and bilayer thickness are consistent with previously reported theoretical results. Mixed lipid bilayers are modelled as a combination of ceramides, cholesterol, and free fatty acids. This model is shown to be stable after equilibration. Green tea extract, also known as epigallocatechin-3-gallate, is introduced as a spherical cluster on the surface of the mixed lipid bilayer. It is demonstrated thatmore » the cluster is able to bind to the bilayers as a cluster without diffusing into the surrounding water.« less

[Characteristic of Particulate Emissions from Concrete Batching in Beijing].

PubMed

Xue, Yi-feng; Zhou, Zhen; Zhong, Lian-hong; Yan, Jing; Qu, Song; Huang, Yu-hu; Tian, He- zhong; Pan, Tao

2016-01-15

With the economic development and population growth in Beijing, there is a strong need for construction and housing, which leads to the increase of the construction areas. Meanwhile, as a local provided material, the production of concrete has been raised. In the process of concrete production by concrete batching, there are numerous particulates emitted, which have large effect on the atmospheric environment, however, systematic study about the tempo-spatial characteristics of pollutant emission from concrete batching is still rare. In this study, we estimated the emission of particulates from concrete batching from 1991 to 2012 using emission factor method, analyzed the tempo-spatial characteristics of pollutant emission, established the uncertainty range by adopting Monte-Carlo method, and predicted the future emission in 2020 based on the relative environmental and economical policies. The results showed that: (1) the emissions of particulates from concrete batching showed a trend of "first increase and then decrease", reaching the maximum in 2005, and then decreased due to stricter emission standard and enhanced environmental management. (2) according to spatial distribution, the emission of particulates from concrete batch mainly concentrated in the urban area with more human activities, and the area between the fifth ring and the sixth ring contributed the most. (3) through scenarios analysis, for further reducing the emission from concrete batching in 2020, more stricter standard for green production as well as powerful supervision is needed.

Ab initio/GIAO-CCSD(T) (13)C NMR study of the rearrangement and dynamic aspects of rapidly equilibrating tertiary carbocations, C6H13(+) and C7H15(+).

PubMed

Olah, George A; Prakash, G K Surya; Rasul, Golam

2016-01-05

The rearrangement pathways of the equilibrating tertiary carbocations, 2,3-dimethyl-2-butyl cation (C6H13(+), 1), 2,3,3-trimethyl-2-butyl cation (C7H15(+), 5) and 2,3-dimethyl-2-pentyl cation (C7H15(+), 8 and 9) were investigated using the ab initio/GIAO-CCSD(T) (13)C NMR method. Comparing the calculated and experimental (13)C NMR chemical shifts of a series of carbocations indicates that excellent prediction of δ(13)C could be achieved through scaling. In the case of symmetrical equilibrating cations (1 and 5) the Wagner-Meerwein 1,2-hydride and 1,2-methide shifts, respectively, produce the same structure. This indicates that the overall (13)C NMR chemical shifts are conserved and independent of temperature. However, in the case of unsymmetrical equilibrating cations (8 and 9) the Wagner-Meerwein shift produces different tertiary structures, which have slightly different thermodynamic stabilities and, thus, different spectra. At the MP4(SDTQ)/cc-pVTZ//MP2/cc-pVTZ + ZPE level structure 8 is only 90 calories/mol more stable than structure 9. Based on computed (13)C NMR chemical shift calculations, mole fractions of these isomers were determined by assuming the observed chemical shifts are due to the weighted average of the chemical shifts of the static ions. © 2015 Wiley Periodicals, Inc.

Removal of Radioactive Materials from Groundwater Using Porous Iron Composite Media

NASA Astrophysics Data System (ADS)

Dorward, E.; Thomas, R.; Cochran, J. P.; Chang, H. S.; Tandukar, M.; Coutelot, F.; Seaman, J. C.

2017-12-01

Uranium (U) is a concern in aqueous environments because of its toxicity. Reducing the mobile U(VI) to the relatively immobile U(IV) can decrease soluble U concentrations. Zero valent iron (ZVI) has been demonstrated as an effective reducing agent for U(VI) as well as other frequently occurring co-contaminants, such as nitrate (NO3-). However, the ability of ZVI to chemically reduce and immobilize U and other associated contaminants in more complex systems containing many alternate electron acceptors and non-ideal chemical conditions remains a concern. Porous iron composite (PIC) materials were evaluated for their ability to address these concerns in both batch and column experiments. We created an artificial groundwater surrogate containing ≈ 100 mg L-1 NO3-, 200 mg L-1 alkalinity, 100 µg L-1 U(VI) as uranyl (UO2+2), 100 µg L-1 rhenium (Re) as perrhenate (ReO4-), and 50 µg L-1 arsenic (As). In batch, we reacted 5 grams of PIC material with 200 mL groundwater surrogate under two different atmospheric conditions to evaluate the impact of O2. At specific time intervals, 5 mL aliquots from each batch treatment were removed for chemical analysis (i.e., U, Re, As, Fe, NO3, etc.) and the pH and ORP of the remaining suspension was measured. The PIC was effective at fully reducing NO3- levels over the extended reaction time despite rapid pH increase (> 8) during equilibration. Soluble levels of U and Re, a chemical surrogate for 99Tc, decreased in a similar fashion to NO3- in both the presence and absence of O2. Soluble As levels decreased more rapidly than other contaminants, but remained at ≈ 1 µg L-1. Very little nitrite (NO2-) was detected in the batch tests, with NH4+ levels consistent with the amount of NO3- reduced. Similar rates of immobilization for U, Re, and As were observed in the presence and absence of NO3-. Subsequent leaching tests corresponding to residence times ranging from 120 to 7.5 minutes demonstrated the ability of the PIC to reduce NO3- to NH4+, with no persistence of NO2-. Uranium and As were readily immobilized regardless of flow velocity. A strong kinetic component was observed for Re leaching behavior in the column tests. These results indicate the strong ability of PIC material to reduce U, NO3-, and other species under conditions that frequently inhibit conventional ZVI effectiveness.

Comparison of the release of constituents from granular materials under batch and column testing.

PubMed

Lopez Meza, Sarynna; Garrabrants, Andrew C; van der Sloot, Hans; Kosson, David S

2008-01-01

Column leaching testing can be considered a better basis for assessing field impact data than any other available batch test method and thus provides a fundamental basis from which to estimate constituent release under a variety of field conditions. However, column testing is time-intensive compared to the more simplified batch testing, and may not always be a viable option when making decisions for material reuse. Batch tests are used most frequently as a simple tool for compliance or quality control reasons. Therefore, it is important to compare the release that occurs under batch and column testing, and establish conservative interpretation protocols for extrapolation from batch data when column data are not available. Five different materials (concrete, construction debris, aluminum recycling residue, coal fly ash and bottom ash) were evaluated via batch and column testing, including different column flow regimes (continuously saturated and intermittent unsaturated flow). Constituent release data from batch and column tests were compared. Results showed no significant difference between the column flow regimes when constituent release data from batch and column tests were compared. In most cases batch and column testing agreed when presented in the form of cumulative release. For arsenic in carbonated materials, however, batch testing underestimates the column constituent release for most LS ratios and also on a cumulative basis. For cases when As is a constituent of concern, column testing may be required.

On time discretizations for the simulation of the batch settling-compression process in one dimension.

PubMed

Bürger, Raimund; Diehl, Stefan; Mejías, Camilo

2016-01-01

The main purpose of the recently introduced Bürger-Diehl simulation model for secondary settling tanks was to resolve spatial discretization problems when both hindered settling and the phenomena of compression and dispersion are included. Straightforward time integration unfortunately means long computational times. The next step in the development is to introduce and investigate time-integration methods for more efficient simulations, but where other aspects such as implementation complexity and robustness are equally considered. This is done for batch settling simulations. The key findings are partly a new time-discretization method and partly its comparison with other specially tailored and standard methods. Several advantages and disadvantages for each method are given. One conclusion is that the new linearly implicit method is easier to implement than another one (semi-implicit method), but less efficient based on two types of batch sedimentation tests.

Equilibrator: Modeling Chemical Equilibria with Excel

ERIC Educational Resources Information Center

Vander Griend, Douglas A.

2011-01-01

Equilibrator is a Microsoft Excel program for learning about chemical equilibria through modeling, similar in function to EQS4WIN, which is no longer supported and does not work well with newer Windows operating systems. Similar to EQS4WIN, Equilibrator allows the user to define a system with temperature, initial moles, and then either total…

Equilibrator-based measurements of dissolved nitrous oxide in the surface ocean using an integrated cavity output laser absorption spectrometer

NASA Astrophysics Data System (ADS)

Grefe, I.; Kaiser, J.

2014-06-01

Dissolved nitrous oxide (N2O) concentrations are usually determined by gas chromatography (GC). Here we present laboratory tests and initial field measurements using a novel setup comprising a commercially available laser-based analyser for N2O, carbon monoxide and water vapour coupled to a glass-bed equilibrator. This approach is less labour-intensive and provides higher temporal and spatial resolution than the conventional GC technique. The standard deviation of continuous equilibrator or atmospheric air measurements was 0.2 nmol mol-1 (averaged over 5 min). The short-term repeatability for reference gas measurements within 1 h of each other was 0.2 nmol mol-1 or better. Another indicator of the long-term stability of the analyser is the standard deviation of the calibrated N2O mole fraction in marine air, which was between 0.5 and 0.7 nmol mol-1. The equilibrator measurements were compared with purge-and-trap gas chromatography-mass spectrometry (GC-MS) analyses of N2O concentrations in discrete samples from the Southern Ocean and showed agreement to within the 2% measurement uncertainty of the GC-MS method. The equilibrator response time to concentration changes in water was from 142 to 203 s, depending on the headspace flow rate. The system was tested at sea during a north-to-south transect of the Atlantic Ocean. While the subtropical gyres were slightly undersaturated, the equatorial region was a source of nitrous oxide to the atmosphere, confirming previous findings (Forster et al., 2009). The ability to measure at high temporal and spatial resolution revealed submesoscale variability in dissolved N2O concentrations. Mean sea-to-air fluxes in the tropical and subtropical Atlantic ranged between -1.6 and 0.11 μmol m-2 d-1 and confirm that the subtropical Atlantic is not an important source region for N2O to the atmosphere, compared to global average fluxes of 0.6-2.4 μmol m-2 d-1. The system can be easily modified for autonomous operation on voluntary observing ships (VOS). Future work should include an interlaboratory comparison exercise with other methods of dissolved N2O analyses.

To Evaluate the Effect of Solvents and Different Relative Humidity Conditions on Thermal and Rheological Properties of Microcrystalline Cellulose 101 Using METHOCEL™ E15LV as a Binder.

PubMed

Jagia, Moksh; Trivedi, Maitri; Dave, Rutesh H

2016-08-01

The solvent used for preparing the binder solution in wet granulation can affect the granulation end point and also impact the thermal, rheological, and flow properties of the granules. The present study investigates the effect of solvents and percentage relative humidity (RH) on the granules of microcrystalline cellulose (MCC) with hydroxypropyl methyl cellulose (HPMC) as the binder. MCC was granulated using 2.5% w/w binder solution in water and ethanol/water mixture (80:20 v/v). Prepared granules were dried until constant percentage loss on drying, sieved, and further analyzed. Dried granules were exposed to different percentage RH for 48 h at room temperature. Powder rheometer was used for the rheological and flow characterization, while thermal effusivity and differential scanning calorimeter were used for thermal analysis. The thermal effusivity values for the wet granules showed a sharp increase beginning 50% w/w binder solution in both cases, which reflected the over-wetting of granules. Ethanol/water solvent batches showed greater resistance to flow as compared to the water solvent batches in the wet granule stage, while the reverse was true for the dried granule stage, as evident from the basic flowability energy values. Although the solvents used affected the equilibration kinetics of moisture content, the RH-exposed granules remained unaffected in their flow properties in both cases. This study indicates that the solvents play a vital role on the rheology and flow properties of MCC granules, while the different RH conditions have little or no effect on them for the above combination of solvent and binder.

Micro- and Nano-scale Diffusion Domains Acting as Kinetic Controls for U(VI) Release to the Hanford 300-Area Aquifer

NASA Astrophysics Data System (ADS)

Stoliker, D. L.; Hay, M. B.; Davis, J. A.; Zachara, J. M.

2008-12-01

The 300-Area of the Hanford reservation, a cold-war era nuclear processing facility, is plagued by long-term elevated concentrations of U(VI) in the underlying aquifer. While the sediment U(VI) concentration is relatively low, it continues to act as a source and sink for the contaminant, allowing for persistent groundwater concentrations well above the maximum contamination limit (MCL). Simple Kd modeling of the attenuation of U(VI) in the aquifer predicted that groundwater U(VI) concentrations would decrease to below the drinking water standard by the year 2002. However, grain-scale morphology of the aquifer material suggests that intra-grain flow paths and mineral coatings, in which sorption complexes and precipitates formed over years of waste disposal, provide a significant kinetic constraint that slows groundwater flushing of the sediments. In order to quantify the impact of diffusion kinetics on the release of U(VI), high-resolution, non-reactive tracer studies were conducted on vadose zone sediments in both column and batch reactors. Systems were equilibrated for long time scales with tritated artificial groundwater and then flushed with flow and stop-flow events included for columns. Previously collected U(VI) release data from batch dissolution/desorption studies is compared with tritium tracer diffusion kinetics as well as porosimetry and detailed microscopy characterization. The micro-scale and nano-scale diffusion regimes, including intra-granular regions as well as mineral coatings, represent a significant potential long-term source of contaminant U(VI). Understanding the physical kinetic limitations coupled with the complex chemistry of U(VI) sorption processes within natural systems is an important step forward in providing information to strengthen field-scale reactive transport simulations.

Developing procedures for the large-scale purification of human serum butyrylcholinesterase.

PubMed

Saxena, Ashima; Luo, Chunyuan; Doctor, Bhupendra P

2008-10-01

Human serum butyrylcholinesterase (Hu BChE) is the most viable candidate for the prophylactic treatment of organophosphate poisoning. A dose of 200 mg/70 kg is predicted to protect humans against 2x LD(50) of soman. Therefore, the aim of this study was to develop procedures for the purification of gram quantities of this enzyme from outdated human plasma or Cohn Fraction IV-4. The purification of Hu BChE was accomplished by batch adsorption on procainamide-Sepharose-CL-4B affinity gel followed by ion-exchange chromatography on a DEAE-Sepharose column. For the purification of enzyme from Cohn Fraction IV-4, it was resuspended in 25 mM sodium phosphate buffer, pH 8.0, and fat was removed by decantation, prior to batch adsorption on procainamide-Sepharose gel. In both cases, the procainamide gel was thoroughly washed with 25 mM sodium phosphate buffer, pH 8.0, containing 0.05 M NaCl, and the enzyme was eluted with the same buffer containing 0.1 M procainamide. The enzyme was dialyzed and the pH was adjusted to 4.0 before loading on the DEAE column equilibrated in sodium acetate buffer, pH 4.0. The column was thoroughly washed with 25 mM sodium phosphate buffer, pH 8.0 containing 0.05 M NaCl before elution with a gradient of 0.05-0.2M NaCl in the same buffer. The purity of the enzyme following these steps ranged from 20% to 40%. The purity of the enzyme increased to >90% by chromatography on an analytical procainamide affinity column. Results show that Cohn Fraction IV-4 is a much better source than plasma for the large-scale isolation of purified Hu BChE.

A hydrogen gas-water equilibration method produces accurate and precise stable hydrogen isotope ratio measurements in nutrition studies

USDA-ARS?s Scientific Manuscript database

Stable hydrogen isotope methodology is used in nutrition studies to measure growth, breast milk intake, and energy requirement. Isotope ratio MS is the best instrumentation to measure the stable hydrogen isotope ratios in physiological fluids. Conventional methods to convert physiological fluids to ...

40 CFR 799.6784 - TSCA water solubility: Column elution method; shake flask method.

Code of Federal Regulations, 2011 CFR

2011-07-01

....053 (3) The column should be connected to a recycling pump capable of controlling flows of... the carrier is not achieved due to partition effects on the surface of the carrier. (2) The loading of... this, the recycling pump is connected and the apparatus allowed to run until equilibration is...

40 CFR 799.6784 - TSCA water solubility: Column elution method; shake flask method.

Code of Federal Regulations, 2013 CFR

2013-07-01

....053 (3) The column should be connected to a recycling pump capable of controlling flows of... the carrier is not achieved due to partition effects on the surface of the carrier. (2) The loading of... this, the recycling pump is connected and the apparatus allowed to run until equilibration is...

40 CFR 799.6784 - TSCA water solubility: Column elution method; shake flask method.

Code of Federal Regulations, 2012 CFR

2012-07-01

....053 (3) The column should be connected to a recycling pump capable of controlling flows of... the carrier is not achieved due to partition effects on the surface of the carrier. (2) The loading of... this, the recycling pump is connected and the apparatus allowed to run until equilibration is...

40 CFR 799.6784 - TSCA water solubility: Column elution method; shake flask method.

Code of Federal Regulations, 2014 CFR

2014-07-01

....053 (3) The column should be connected to a recycling pump capable of controlling flows of... the carrier is not achieved due to partition effects on the surface of the carrier. (2) The loading of... this, the recycling pump is connected and the apparatus allowed to run until equilibration is...

Effect of shortening the prefreezing equilibration time with glycerol on the quality of chamois (Rupicapra pyrenaica), ibex (Capra pyrenaica), mouflon (Ovis musimon) and aoudad (Ammotragus lervia) ejaculates.

PubMed

Pradiee, J; O'Brien, E; Esteso, M C; Castaño, C; Toledano-Díaz, A; Lopez-Sebastián, A; Marcos-Beltrán, J L; Vega, R S; Guillamón, F G; Martínez-Nevado, E; Guerra, R; Santiago-Moreno, J

2016-08-01

The present study reports the effect of shortening the prefreezing equilibration time with glycerol on the quality of frozen-thawed ejaculated sperm from four Mediterranean mountain ungulates: Cantabrian chamois (Rupicapra pyrenaica), Iberian ibex (Capra pyrenaica), mouflon (Ovis musimon) and aoudad (Ammotragus lervia). Ejaculated sperm from these species were divided into two aliquots. One was diluted with either a Tris-citric acid-glucose based medium (TCG-glycerol; for chamois and ibex sperm) or a Tris-TES-glucose-based medium (TTG-glycerol; for mouflon and aoudad sperm), and maintained at 5°C for 3h prior to freezing. The other aliquot was diluted with either TCG (chamois and ibex sperm) or TTG (mouflon and aoudad sperm) and maintained at 5°C for 1h before adding glycerol (final concentration 5%). After a 15min equilibration period in the presence of glycerol, the samples were frozen. For the ibex, there was enhanced (P<0.05) sperm viability and acrosome integrity after the 3h as compared with the 15min equilibration time. For the chamois, subjective sperm motility and cell membrane functional integrity were less (P<0.05) following 15min of equilibration. In the mouflon, progressive sperm motility and acrosome integrity was less (P<0.05) when the equilibration time was reduced to 15min. For the aoudad, the majority of sperm variables measured were more desirable after the 3h equilibration time. The freezing-thawing processes reduced the sperm head size in all the species studied; however, the equilibration time further affected the frozen-thawed sperm head variables in a species-dependent fashion. While the equilibration time for chamois sperm might be shortened, this appears not to be the case for all ungulates. Copyright © 2016 Elsevier B.V. All rights reserved.

Kinetics of bacterial potentiometric titrations: the effect of equilibration time on buffering capacity of Pantoea agglomerans suspensions.

PubMed

Kapetas, Leon; Ngwenya, Bryne T; Macdonald, Alan M; Elphick, Stephen C

2011-07-15

Several recent studies have made use of continuous acid-base titration data to describe the surface chemistry of bacterial cells as a basis for accurately modelling metal adsorption to bacteria and other biomaterials of potential industrial importance. These studies do not share a common protocol; rather they titrate in different pH ranges and they use different stability criteria to define equilibration time during titration. In the present study we investigate the kinetics of bacterial titrations and test the effect they have on the derivation of functional group concentrations and acidity constants. We titrated suspensions of Pantoea agglomerans by varying the equilibration time between successive titrant additions until stability of 0.1 or 0.001 mV s(-1) was attained. We show that under longer equilibration times, titration results are less reproducible and suspensions exhibit marginally higher buffering. Fluorescence images suggest that cell lysis is not responsible for these effects. Rather, high DOC values and titration reversibility hysterisis after long equilibration times suggest that variability in buffering is due to the presence of bacterial exudates, as demonstrated by titrating supernatants separated from suspensions of different equilibration times. It is recommended that an optimal equilibration time is always determined with variable stability control and preliminary reversibility titration experiments. Copyright © 2011 Elsevier Inc. All rights reserved.

Modeling the movement and equilibrium of water in the body of ruminants in relation to estimating body composition by deuterium oxide dilution

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

Arnold, R.N.

1986-01-01

Deuterium oxide (D/sub 2/O) dilution was evaluated for use in estimating body composition of ruminants. Empty body composition of cattle could not be accurately estimated by two- or three-compartment models when solved on the basis of clearance of D/sub 2/O from blood. A 29-compartment blood-flow model was developed from measured blood flow rates and water volumes of tissues of sheep. The rates of equilibration of water in tissues that were simulated by the blood-flow model were much faster than actual rates measured in sheep and cattle. The incorporation of diffusion hindrances for movement of water into tissues enabled the bloodmore » flow model to simulate the measured equilibration rates in tissues, but the values of the diffusion coefficients were different for each tissue. The D/sub 2/O-disappearance curve for blood simulated by the blood-flow model with diffusion limitations was comprised for four exponential components. The tissues and gastrointestinal tract contents were placed into five groups based upon the rate of equilibration. Water in the organs of the body equilibrated with water in blood within 3 min. Water in visceral fat, head, and some of the gastrointestinal tract tissues equilibrated within 8 to 16 min. Water in skeletal muscle, fat, and bone and the contents of some segments of the gastrointestinal tract equilibrated within 30 to 36 min. Water in the tissues and contents of the cecum and upper-large intestine equilibrated within 160 to 200 min. Water in ruminal tissue and contents equilibrated within 480 min.« less

Removal of batch effects using distribution-matching residual networks.

PubMed

Shaham, Uri; Stanton, Kelly P; Zhao, Jun; Li, Huamin; Raddassi, Khadir; Montgomery, Ruth; Kluger, Yuval

2017-08-15

Sources of variability in experimentally derived data include measurement error in addition to the physical phenomena of interest. This measurement error is a combination of systematic components, originating from the measuring instrument and random measurement errors. Several novel biological technologies, such as mass cytometry and single-cell RNA-seq (scRNA-seq), are plagued with systematic errors that may severely affect statistical analysis if the data are not properly calibrated. We propose a novel deep learning approach for removing systematic batch effects. Our method is based on a residual neural network, trained to minimize the Maximum Mean Discrepancy between the multivariate distributions of two replicates, measured in different batches. We apply our method to mass cytometry and scRNA-seq datasets, and demonstrate that it effectively attenuates batch effects. our codes and data are publicly available at https://github.com/ushaham/BatchEffectRemoval.git. yuval.kluger@yale.edu. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Comparison of batch and column tests for the elution of artificial turf system components.

PubMed

Krüger, O; Kalbe, U; Berger, W; Nordhauβ, K; Christoph, G; Walzel, H-P

2012-12-18

Synthetic athletic tracks and turf areas for outdoor sporting grounds may release contaminants due to the chemical composition of some components. A primary example is that of zinc from reused scrap tires (main constituent, styrene butadiene rubber, SBR), which might be harmful to the environment. Thus, methods for the risk assessment of those materials are required. Laboratory leaching methods like batch and column tests are widely used to examine the soil-groundwater pathway. We tested several components for artificial sporting grounds with batch tests at a liquid to solid (LS) ratio of 2 L/kg and column tests with an LS up to 26.5 L/kg. We found a higher zinc release in the batch test eluates for all granules, ranging from 15% higher to 687% higher versus data from column tests for SBR granules. Accompanying parameters, especially the very high turbidity of one ethylene propylene diene monomer rubber (EPDM) or thermoplastic elastomer (TPE) eluates, reflect the stronger mechanical stress of batch testing. This indicates that batch test procedures might not be suitable for the risk assessment of synthetic sporting ground components. Column tests, on the other hand, represent field conditions more closely and allow for determination of time-dependent contaminants release.

Parallel steady state studies on a milliliter scale accelerate fed-batch bioprocess design for recombinant protein production with Escherichia coli.

PubMed

Schmideder, Andreas; Cremer, Johannes H; Weuster-Botz, Dirk

2016-11-01

In general, fed-batch processes are applied for recombinant protein production with Escherichia coli (E. coli). However, state of the art methods for identifying suitable reaction conditions suffer from severe drawbacks, i.e. direct transfer of process information from parallel batch studies is often defective and sequential fed-batch studies are time-consuming and cost-intensive. In this study, continuously operated stirred-tank reactors on a milliliter scale were applied to identify suitable reaction conditions for fed-batch processes. Isopropyl β-d-1-thiogalactopyranoside (IPTG) induction strategies were varied in parallel-operated stirred-tank bioreactors to study the effects on the continuous production of the recombinant protein photoactivatable mCherry (PAmCherry) with E. coli. Best-performing induction strategies were transferred from the continuous processes on a milliliter scale to liter scale fed-batch processes. Inducing recombinant protein expression by dynamically increasing the IPTG concentration to 100 µM led to an increase in the product concentration of 21% (8.4 g L -1 ) compared to an implemented high-performance production process with the most frequently applied induction strategy by a single addition of 1000 µM IPGT. Thus, identifying feasible reaction conditions for fed-batch processes in parallel continuous studies on a milliliter scale was shown to be a powerful, novel method to accelerate bioprocess design in a cost-reducing manner. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1426-1435, 2016. © 2016 American Institute of Chemical Engineers.

Standardization, evaluation and early-phase method validation of an analytical scheme for batch-consistency N-glycosylation analysis of recombinant produced glycoproteins.

PubMed

Zietze, Stefan; Müller, Rainer H; Brecht, René

2008-03-01

In order to set up a batch-to-batch-consistency analytical scheme for N-glycosylation analysis, several sample preparation steps including enzyme digestions and fluorophore labelling and two HPLC-methods were established. The whole method scheme was standardized, evaluated and validated according to the requirements on analytical testing in early clinical drug development by usage of a recombinant produced reference glycoprotein (RGP). The standardization of the methods was performed by clearly defined standard operation procedures. During evaluation of the methods, the major interest was in the loss determination of oligosaccharides within the analytical scheme. Validation of the methods was performed with respect to specificity, linearity, repeatability, LOD and LOQ. Due to the fact that reference N-glycan standards were not available, a statistical approach was chosen to derive accuracy from the linearity data. After finishing the validation procedure, defined limits for method variability could be calculated and differences observed in consistency analysis could be separated into significant and incidental ones.

Molecular dynamics modelling of EGCG clusters on ceramide bilayers

NASA Astrophysics Data System (ADS)

Yeo, Jingjie; Cheng, Yuan; Li, Weifeng; Zhang, Yong-Wei

2015-12-01

A novel method of atomistic modelling and characterization of both pure ceramide and mixed lipid bilayers is being developed, using only the General Amber ForceField. Lipid bilayers modelled as pure ceramides adopt hexagonal packing after equilibration, and the area per lipid and bilayer thickness are consistent with previously reported theoretical results. Mixed lipid bilayers are modelled as a combination of ceramides, cholesterol, and free fatty acids. This model is shown to be stable after equilibration. Green tea extract, also known as epigallocatechin-3-gallate, is introduced as a spherical cluster on the surface of the mixed lipid bilayer. It is demonstrated that the cluster is able to bind to the bilayers as a cluster without diffusing into the surrounding water.

The fate of silver nanoparticles in soil solution--Sorption of solutes and aggregation.

PubMed

Klitzke, Sondra; Metreveli, George; Peters, Andre; Schaumann, Gabriele E; Lang, Friederike

2015-12-01

Nanoparticles enter soils through various pathways. In the soil, they undergo various interactions with the solution and the solid phase. We tested the following hypotheses using batch experiments: i) the colloidal stability of Ag NP increases through sorption of soil-borne dissolved organic matter (DOM) and thus inhibits aggregation; ii) the presence of DOM suppresses Ag oxidation; iii) the surface charge of Ag NP governs sorption onto soil particles. Citrate-stabilized and bare Ag NPs were equilibrated with (colloid-free) soil solution extracted from a floodplain soil for 24h. Nanoparticles were removed through centrifugation. Concentrations of free Ag ions and DOC, the specific UV absorbance at a wavelength of 254 nm, and the absorption ratio α254/α410 were determined in the supernatant. Nanoparticle aggregation was studied using time-resolved dynamic light scattering (DLS) measurement following the addition of soil solution and 1.5mM Ca(2+) solution. To study the effect of surface charge on the adsorption of Ag NP onto soil particles, bare and citrate-stabilized Ag NP, differing in the zeta potential, were equilibrated with silt at a solid-to-solution ratio of 1:10 and an initial Ag concentration range of 30 to 320 μg/L. Results showed that bare Ag NPs sorb organic matter, with short-chained organic matter being preferentially adsorbed over long-chained, aromatic organic matter. Stabilizing effects of organic matter only come into play at higher Ag NP concentrations. Soil solution inhibits the release of Ag(+) ions, presumably due to organic matter coatings. Sorption to silt particles was very similar for the two particle types, suggesting that the surface charge does not control Ag NP sorption. Besides, sorption was much lower than in comparable studies with sand and glass surfaces. Copyright © 2014. Published by Elsevier B.V.

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange.

PubMed

Limbach, Hans-Heinrich; Pery, Tal; Rothermel, Niels; Chaudret, Bruno; Gutmann, Torsten; Buntkowsky, Gerd

2018-04-25

The equilibration of H2, HD and D2 between the gas phase and surface hydrides of solid organic-ligand-stabilized Ru metal nanoparticles has been studied by gas phase 1H NMR spectroscopy using closed NMR tubes as batch reactors at room temperature and 800 mbar. When two different nanoparticle systems, Ru/PVP (PVP ≡ polyvinylpyrrolidone) and Ru/HDA (HDA ≡ hexadecylamine) were exposed to D2 gas, only the release of HD from the hydride containing surface could be detected in the initial stages of the reaction, but no H2. In the case of Ru/HDA also the reverse experiment was performed where surface deuterated nanoparticles were exposed to H2. In that case, the conversion of H2 into gaseous HD was detected. In order to analyze the experimental kinetic and spectroscopic data, we explored two different mechanisms taking into account potential kinetic and equilibrium H/D isotope effects. Firstly, we explored the dissociative exchange mechanism consisting of dissociative adsorption of dihydrogen, fast hydride surface diffusion and associative desorption of dihydrogen. It is shown that if D2 is the reaction partner, only H2 will be released in the beginning of the reaction, and HD only in later reaction stages. The second mechanism, dubbed here associative exchange consists of the binding of dihydrogen to Ru surface atoms, followed by a H-transfer to or by H-exchange with an adjacent hydride site, and finally of the associative desorption of dihydrogen. In that case, in the exchange with D2, only HD will be released in the beginning of the reaction. Our experimental results are not compatible with the dissociative exchange but can be explained in terms of the associative exchange. Whereas the former will dominate at low temperatures and pressures, the latter will prevail around room temperature and normal pressures where transition metal nanoparticles are generally used as reaction catalysts.

Numerical modelling of erosion and assimilation of sulfur-rich substrate by martian lava flows: Implications for the genesis of massive sulfide mineralization on Mars

NASA Astrophysics Data System (ADS)

Baumgartner, Raphael J.; Baratoux, David; Gaillard, Fabrice; Fiorentini, Marco L.

2017-11-01

Mantle-derived volcanic rocks on Mars display physical and chemical commonalities with mafic-ultramafic ferropicrite and komatiite volcanism on the Earth. Terrestrial komatiites are common hosts of massive sulfide mineralization enriched in siderophile-chalcophile precious metals (i.e., Ni, Cu, and the platinum-group elements). These deposits correspond to the batch segregation and accumulation of immiscible sulfide liquids as a consequence of mechanical/thermo-mechanical erosion and assimilation of sulfur-rich bedrock during the turbulent flow of high-temperature and low-viscosity komatiite lava flows. This study adopts this mineralization model and presents numerical simulations of erosion and assimilation of sulfide- and sulfate-rich sedimentary substrates during the dynamic emplacement of (channelled) mafic-ultramafic lava flows on Mars. For sedimentary substrates containing adequate sulfide proportions (e.g., 1 wt% S), our simulations suggest that sulfide supersaturation in low-temperature (< 1350 °C) flows could be attained at < 200 km distance, but may be postponed in high-temperature lavas flows (> 1400 °C). The precious-metals tenor in the derived immiscible sulfide liquids may be significantly upgraded as a result of their prolonged equilibration with large volumes of silicate melts along flow conduits. The influence of sulfate assimilation on sulfide supersaturation in martian lava flows is addressed by simulations of melt-gas equilibration in the Csbnd Hsbnd Osbnd S fluid system. However, prolonged sulfide segregation and deposit genesis by means of sulfate assimilation appears to be limited by lava oxidation and the release of sulfur-rich gas. The identification of massive sulfide endowments on Mars is not possible from remote sensing data. Yet the results of this study aid to define regions for the potential occurrence of such mineral systems, which may be the large canyon systems Noctis Labyrinthus and Valles Marineris, or the Hesperian channel systems of Mars' highlands (e.g., Kasei Valles), most of which have been periodically draped by mafic-ultramafic lavas.

Miscellaneous methods for measuring matric or water potential

USGS Publications Warehouse

Scanlon, Bridget R.; Andraski, Brian J.; Bilskie, Jim; Dane, Jacob H.; Topp, G. Clarke

2002-01-01

A variety of techniques to measure matric potential or water potential in the laboratory and in the field are described in this section. The techniques described herein require equilibration of some medium whose matric or water potential can be determined from previous calibration or can be measured directly. Under equilibrium conditions the matric or water potential of the medium is equal to that of the soil. The techniques can be divided into: (i) those that measure matric potential and (ii) those that measure water potential (sum of matric and osmotic potentials). Matric potential is determined when the sensor matrix is in direct contact with the soil, so salts are free to diffuse in or out of the sensor matrix, and the equilibrium measurement therefore reflects matric forces acting on the water. Water potential is determined when the sensor is separated from the soil by a vapor gap, so salts are not free to move in or out of the sensor, and the equilibrium measurement reflects the sum of the matric and osmotic forces acting on the water.Seven different techniques are described in this section. Those that measure matric potential include (i) heat dissipation sensors, (ii) electrical resistance sensors, (iii) frequency domain and time domain sensors, and (iv) electro-optical switches. A method that can be used to measure matric potential or water potential is the (v) filter paper method. Techniques that measure water potential include (vi) the Dew Point Potentiameter (Decagon Devices, Inc., Pullman, WA1) (water activity meter) and (vii) vapor equilibration.The first four techniques are electronically based methods for measuring matric potential. Heat dissipation sensors and electrical resistance sensors infer matric potential from previously determined calibration relations between sensor heat dissipation or electrical resistance and matric potential. Frequency-domain and timedomain matric potential sensors measure water content, which is related to matric potential of the sensor through calibration. Electro-optical switches measure changes in light transmission through thin, nylon filters as they absorb or desorb water in response to changes in matric potential. Heat dissipation sensors and electrical resistance sensors are used primarily in the field to provide information on matric potential. Frequency domain matric potential sensors are new and have not been widely used. Time domain matric potential sensors and electro-optical switches are new and have not been commercialized. For the fifth technique, filter paper is used as the standard matrix. The filter paper technique measures matric potential when the filter paper is in direct contact with soil or water potential when separated from soil by a vapor gap. The Dew Point Potentiameter calculates water potential from the measured dew point and sample temperature. The vapor equilibration technique involves equilibration of soil samples with salt solutions of known osmotic potential. The filter paper, Dew Point Potentiameter, and vapor equilibration techniques are generally used in the laboratory to measure water potential of disturbed field samples or to measure water potential for water retention functions.

Trapping Dynamics in Photosystem I-Light Harvesting Complex I of Higher Plants Is Governed by the Competition Between Excited State Diffusion from Low Energy States and Photochemical Charge Separation.

PubMed

Molotokaite, Egle; Remelli, William; Casazza, Anna Paola; Zucchelli, Giuseppe; Polli, Dario; Cerullo, Giulio; Santabarbara, Stefano

2017-10-26

The dynamics of excited state equilibration and primary photochemical trapping have been investigated in the photosystem I-light harvesting complex I isolated from spinach, by the complementary time-resolved fluorescence and transient absorption approaches. The combined analysis of the experimental data indicates that the excited state decay is described by lifetimes in the ranges of 12-16 ps, 32-36 ps, and 64-77 ps, for both detection methods, whereas faster components, having lifetimes of 550-780 fs and 4.2-5.2 ps, are resolved only by transient absorption. A unified model capable of describing both the fluorescence and the absorption dynamics has been developed. From this model it appears that the majority of excited state equilibration between the bulk of the antenna pigments and the reaction center occurs in less than 2 ps, that the primary charge separated state is populated in ∼4 ps, and that the charge stabilization by electron transfer is completed in ∼70 ps. Energy equilibration dynamics associated with the long wavelength absorbing/emitting forms harbored by the PSI external antenna are also characterized by a time mean lifetime of ∼75 ps, thus overlapping with radical pair charge stabilization reactions. Even in the presence of a kinetic bottleneck for energy equilibration, the excited state dynamics are shown to be principally trap-limited. However, direct excitation of the low energy chlorophyll forms is predicted to lengthen significantly (∼2-folds) the average trapping time.

Equilibration and analysis of first-principles molecular dynamics simulations of water

NASA Astrophysics Data System (ADS)

Dawson, William; Gygi, François

2018-03-01

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Evaluation of a self-equilibrium cutting strategy for the contour method of residual stress measurement

DOE PAGES

Muránsky, Ondrej; Hamelin, Cory J.; Hosseinzadeh, F.; ...

2017-04-06

An assessment of cutting-induced plasticity (CIP) is performed, by finite element (FE) prediction of the plastic strain accumulation along the cut tip when the EDM wire sections the NeT TG4 weld benchmark specimen along two cutting directions. The first direction corresponds to a conventional (C) cutting strategy, whereby the EDM wire cuts through the thickness of the weld specimen and travels in a direction transverse to the weld. The second direction corresponds to a self-equilibrating cutting (SE) strategy, whereby the EDM wire cuts across the transverse direction of the weld specimens and travels through the thickness of the plate. Themore » cutting thus progresses simultaneously through the compression-tension-compression regions of present weld residual stress (WRS) field. This type of cutting strategy is believed to minimize the CIP by minimising residual stress redistribution during cutting, due to stress equilibration across the sectioned material. The simulated cutting procedures are conducted under a range of clamping conditions to assess whether mechanical restraint has a primary or secondary influence on CIP accumulation. Both predictions of CIP and the resultant back-calculated WRS demonstrate that (i) mechanical restraint is the primary variable influencing CIP development, and (ii) under no circumstance does a self-equilibrating cutting strategy perform significantly better than a conventional cutting approach. Furthermore, the reason that self-equilibrating cuts are not effective is illustrated by calculating the Mode I (K I) stress intensity factor (SIF) along the cut tip, and correlating trends in K I to CIP development.« less

Evaluation of a self-equilibrium cutting strategy for the contour method of residual stress measurement

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

Muránsky, Ondrej; Hamelin, Cory J.; Hosseinzadeh, F.

An assessment of cutting-induced plasticity (CIP) is performed, by finite element (FE) prediction of the plastic strain accumulation along the cut tip when the EDM wire sections the NeT TG4 weld benchmark specimen along two cutting directions. The first direction corresponds to a conventional (C) cutting strategy, whereby the EDM wire cuts through the thickness of the weld specimen and travels in a direction transverse to the weld. The second direction corresponds to a self-equilibrating cutting (SE) strategy, whereby the EDM wire cuts across the transverse direction of the weld specimens and travels through the thickness of the plate. Themore » cutting thus progresses simultaneously through the compression-tension-compression regions of present weld residual stress (WRS) field. This type of cutting strategy is believed to minimize the CIP by minimising residual stress redistribution during cutting, due to stress equilibration across the sectioned material. The simulated cutting procedures are conducted under a range of clamping conditions to assess whether mechanical restraint has a primary or secondary influence on CIP accumulation. Both predictions of CIP and the resultant back-calculated WRS demonstrate that (i) mechanical restraint is the primary variable influencing CIP development, and (ii) under no circumstance does a self-equilibrating cutting strategy perform significantly better than a conventional cutting approach. Furthermore, the reason that self-equilibrating cuts are not effective is illustrated by calculating the Mode I (K I) stress intensity factor (SIF) along the cut tip, and correlating trends in K I to CIP development.« less

Equilibration and analysis of first-principles molecular dynamics simulations of water.

PubMed

Dawson, William; Gygi, François

2018-03-28

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Massively Parallel Simulations of Diffusion in Dense Polymeric Structures

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

Faulon, Jean-Loup, Wilcox, R.T.

1997-11-01

An original computational technique to generate close-to-equilibrium dense polymeric structures is proposed. Diffusion of small gases are studied on the equilibrated structures using massively parallel molecular dynamics simulations running on the Intel Teraflops (9216 Pentium Pro processors) and Intel Paragon(1840 processors). Compared to the current state-of-the-art equilibration methods this new technique appears to be faster by some orders of magnitude.The main advantage of the technique is that one can circumvent the bottlenecks in configuration space that inhibit relaxation in molecular dynamics simulations. The technique is based on the fact that tetravalent atoms (such as carbon and silicon) fit in themore » center of a regular tetrahedron and that regular tetrahedrons can be used to mesh the three-dimensional space. Thus, the problem of polymer equilibration described by continuous equations in molecular dynamics is reduced to a discrete problem where solutions are approximated by simple algorithms. Practical modeling applications include the constructing of butyl rubber and ethylene-propylene-dimer-monomer (EPDM) models for oxygen and water diffusion calculations. Butyl and EPDM are used in O-ring systems and serve as sealing joints in many manufactured objects. Diffusion coefficients of small gases have been measured experimentally on both polymeric systems, and in general the diffusion coefficients in EPDM are an order of magnitude larger than in butyl. In order to better understand the diffusion phenomena, 10, 000 atoms models were generated and equilibrated for butyl and EPDM. The models were submitted to a massively parallel molecular dynamics simulation to monitor the trajectories of the diffusing species.« less

Quality evaluation of moluodan concentrated pill using high-performance liquid chromatography fingerprinting coupled with chemometrics.

PubMed

Tao, Lingyan; Zhang, Qing; Wu, Yongjiang; Liu, Xuesong

2016-12-01

In this study, a fast and effective high-performance liquid chromatography method was developed to obtain a fingerprint chromatogram and quantitative analysis simultaneously of four indexes including gallic acid, chlorogenic acid, albiflorin and paeoniflorin of the traditional Chinese medicine Moluodan Concentrated Pill. The method was performed by using a Waters X-bridge C 18 reversed phase column on an Agilent 1200S high-performance liquid chromatography system coupled with diode array detection. The mobile phase of the high-performance liquid chromatography method was composed of 20 mmol/L phosphate solution and acetonitrile with a 1 mL/min eluent velocity, under a detection temperature of 30°C and a UV detection wavelength of 254 nm. After the methodology validation, 16 batches of Moluodan Concentrated Pill were analyzed by this high-performance liquid chromatography method and both qualitative and quantitative evaluation results were achieved by similarity analysis, principal component analysis and hierarchical cluster analysis. The results of these three chemometrics were in good agreement and all indicated that batch 10 and batch 16 showed significant differences with the other 14 batches. This suggested that the developed high-performance liquid chromatography method could be applied in the quality evaluation of Moluodan Concentrated Pill. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-Rank Matrix Recovery Approach for Clutter Rejection in Real-Time IR-UWB Radar-Based Moving Target Detection

PubMed Central

Sabushimike, Donatien; Na, Seung You; Kim, Jin Young; Bui, Ngoc Nam; Seo, Kyung Sik; Kim, Gil Gyeom

2016-01-01

The detection of a moving target using an IR-UWB Radar involves the core task of separating the waves reflected by the static background and by the moving target. This paper investigates the capacity of the low-rank and sparse matrix decomposition approach to separate the background and the foreground in the trend of UWB Radar-based moving target detection. Robust PCA models are criticized for being batched-data-oriented, which makes them inconvenient in realistic environments where frames need to be processed as they are recorded in real time. In this paper, a novel method based on overlapping-windows processing is proposed to cope with online processing. The method consists of processing a small batch of frames which will be continually updated without changing its size as new frames are captured. We prove that RPCA (via its Inexact Augmented Lagrange Multiplier (IALM) model) can successfully separate the two subspaces, which enhances the accuracy of target detection. The overlapping-windows processing method converges on the optimal solution with its batch counterpart (i.e., processing batched data with RPCA), and both methods prove the robustness and efficiency of the RPCA over the classic PCA and the commonly used exponential averaging method. PMID:27598159

Clinical efficacy and health implications of inconsistency in different production batches of antimycotic drugs in a developing country

PubMed Central

Ogunshe, Adenike A. O.; Adepoju, Adedayo A.; Oladimeji, Modupe E.

2011-01-01

Objective: This study aimed at evaluating the in vitro efficacy and health implications of inconsistencies in different production batches of antimycotic drugs. Materials and Methods: in vitro susceptibility profiles of 36 Candida spp. – C. albicans (19.4%), C. glabrata (30.6%), C. tropicalis (33.3%), and C. pseudotropicalis (16.7%) – obtained from human endocervical and high vaginal swabs (ECS/HVS) to two different batches (B1 and B2) of six antimycotic drugs (clotrimazole, doxycycline, iconazole, itraconazole, metronidazole and nystatin) was determined using modified agar well-diffusion method. Results: None of the Candida strains had entirely the same (100%) susceptibility / resistance profiles in both batches of corresponding antimycotic drugs; while, different multiple antifungal susceptibility (MAS) rates were also recorded in batches 1 and 2 for corresponding antifungals. Only 14.3%, 27.3%, 16.7-33.3%, and 8.3-25.0% of C. albicans, C. glabrata, C. pseudotropicalis, and C. tropicalis strains, respectively, had similar susceptibility/resistance profiles toward coressponding antifungal agents in both batches; while up to 57.1% of C. albicans, 45.5% of C. glabrata, 66.7% of C. pseudotropicalis, and 50.0% of C. tropicalis strains were susceptible to one batch of antifungals but resistant to corresponding antifungals in the second batch. As high as 71.4% (C. albicans), 73.0% (C. glabrata), 50.0% (C. pseudotropicalis), and 66.74% (C. tropicalis) strains had differences of ≥ 10.0 mm among corresponding antimycotic agents. Conclusions: Candida strains exhibited different in vitro susceptibility / resistance patterns toward two batches of corresponding antimycotic agents, which has clinical implications on the efficacy of the drugs and treatment of patients. The findings of the present study will be of benefit in providing additional information in support of submission of drugs for registration to appropriate regulatory agencies. PMID:21430967

Assessment of NASA Dual Microstructure Heat Treatment Method for Multiple Forging Batch Heat Treatment

NASA Technical Reports Server (NTRS)

Gayda, John (Technical Monitor); Lemsky, Joe

2004-01-01

NASA dual microstructure heat treatment technology previously demonstrated on single forging heat treat batches of a generic disk shape was successfully demonstrated on a multiple disk batch of a production shape component. A group of four Rolls-Royce Corporation 3rd Stage AE2100 forgings produced from alloy ME209 were successfully dual microstructure heat treated as a single heat treat batch. The forgings responded uniformly as evidenced by part-to-part consistent thermocouple recordings and resultant macrostructures, and from ultrasonic examination. Multiple disk DMHT processing offers a low cost alternative to other published dual microstructure processing techniques.

Collaborative study for the calibration of the Ph. Eur. prekallikrein activator in albumin BRP batches 4, 5 and 6.

PubMed

Lackner, F; Daas, A; Terao, E

2015-01-01

An international collaborative study was organised by the European Directorate for the Quality of Medicines & HealthCare (EDQM, Council of Europe) to calibrate replacement batches for the current European Pharmacopoeia (Ph. Eur.) prekallikrein activator (PKA) in albumin biological reference preparation (BRP), whose stocks were dwindling. The study was run in the framework of the Biological Standardisation Programme (BSP) of the Council of Europe and the European Union (EU) Commission. Twenty three laboratories from official medicines control authorities and manufacturers in Europe and outside Europe took part in the study. Three candidate replacement batches were produced from the same material as the one used for the World Health Organization (WHO) 2(nd) International Standard (IS) for PKA in albumin (02/168) and the Ph. Eur. PKA in albumin BRP batches 1, 2 and 3. Participants were requested to evaluate the candidate batches against the current WHO IS using their routine assay method. The Ph. Eur. PKA in albumin BRP batch 3 (BRP3) was also included in the test panel to ensure the continuity of the consecutive BRP batches. The study confirmed the stability of the PKA content of the current BRP3. The candidate batches were found to be comparable. Previous data on the starting material support its high stability. Thermal stress study on the candidate batches confirmed the stability of their PKA activity. The Commission of the Ph. Eur. officially adopted in November 2013 the 3 candidate batches as Ph. Eur. PKA in albumin BRP batches 4, 5 and 6 with an assigned content of 38 IU/vial. The activity of the 3 new batches of Ph. Eur. PKA in albumin BRP will be regularly monitored.

METHOD FOR MEASURING AIR-IMMISCIBLE LIQUID PARTITION COEFFICIENTS

EPA Science Inventory

The principal objective of this work was to measure nonaqueous phase liquid-air partition coefficients for various gas tracer compounds. Known amounts of trichloroethene (TCE) and tracer, as neat compounds, were introduced into glass vials and allowed to equilibrate. The TCE and ...

Speciation of cadmium and zinc with application to soil solutions

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

Holm, P.E.; Christensen, T.H.; Tjell, J.C.

1995-01-01

A two-part method has been developed for determination of Cd and Zn species in 50-mL soil solution samples containing low concentrations of Cd and Zn (1-10 {mu}g Cd L{sup -1} and 50-1000 {mu}g Zn L{sup -1}). The method uses two cation exchange resins (Amberlite CG 120 and Chelex 100) in a batch-column-batch procedure and relies on analytical determinations of Cd and Zn by graphite furnace atomic absorption spectrophotometry. The first part (batch) of the method allows determination of free divalent Cd{sup 2+} and Zn{sup 2+}. This part is experimentally sensitive to cation concentrations and ionic strength and these parameters shouldmore » be controlled during the experimental procedures. However, it is shown that Cd and Zn concentrations and pH do not influence the method. Speciations performed on samples containing chloride and sulfate were in accordance with theoretical calculations. The second part (column-batch) of the method operationally separates the complexed fraction into labile complexes, slowly labile complexes, and stable complexes. Chloro complexes were identified as labile complexes, while EDTA complexes were identified as stable complexes. The method works well with relatively small volumes of sample solutions and at low metal concentrations and may be useful in characterization of Cd and Zn in soil solutions. 12 refs., 6 figs., 3 tabs.« less

System Vaccinology for the Evaluation of Influenza Vaccine Safety by Multiplex Gene Detection of Novel Biomarkers in a Preclinical Study and Batch Release Test

PubMed Central

Mizukami, Takuo; Momose, Haruka; Kuramitsu, Madoka; Takizawa, Kazuya; Araki, Kumiko; Furuhata, Keiko; Ishii, Ken J.; Hamaguchi, Isao; Yamaguchi, Kazunari

2014-01-01

Vaccines are beneficial and universal tools to prevent infectious disease. Thus, safety of vaccines is strictly evaluated in the preclinical phase of trials and every vaccine batch must be tested by the National Control Laboratories according to the guidelines published by each country. Despite many vaccine production platforms and methods, animal testing for safety evaluation is unchanged thus far. We recently developed a systems biological approach to vaccine safety evaluation where identification of specific biomarkers in a rat pre-clinical study evaluated the safety of vaccines for pandemic H5N1 influenza including Irf7, Lgals9, Lgalsbp3, Cxcl11, Timp1, Tap2, Psmb9, Psme1, Tapbp, C2, Csf1, Mx2, Zbp1, Ifrd1, Trafd1, Cxcl9, β2m, Npc1, Ngfr and Ifi47. The current study evaluated whether these 20 biomarkers could evaluate the safety, batch-to-batch and manufacturer-to-manufacturer consistency of seasonal trivalent influenza vaccine using a multiplex gene detection system. When we evaluated the influenza HA vaccine (HAv) from four different manufactures, the biomarker analysis correlated to findings from conventional animal use tests, such as abnormal toxicity test. In addition, sensitivity of toxicity detection and differences in HAvs were higher and more accurate than with conventional methods. Despite a slight decrease in body weight caused by HAv from manufacturer B that was not statistically significant, our results suggest that HAv from manufacturer B is significantly different than the other HAvs tested with regard to Lgals3bp, Tapbp, Lgals9, Irf7 and C2 gene expression in rat lungs. Using the biomarkers confirmed in this study, we predicted batch-to-batch consistency and safety of influenza vaccines within 2 days compared with the conventional safety test, which takes longer. These biomarkers will facilitate the future development of new influenza vaccines and provide an opportunity to develop in vitro methods of evaluating batch-to-batch consistency and vaccine safety as an alternative to animal testing. PMID:25010690

Establishment of hepatitis A detection antibodies set BRR batch 3 for antigen content determination by ELISA.

PubMed

Morgeaux, S; Manniam, I; Variot, P; Daas, A; Costanzo, A

2015-01-01

The current batch of the European Pharmacopoeia (Ph. Eur.) Biological Reference Reagents (BRRs) used for the in vitro potency assay of hepatitis A vaccines (HAV) by ELISA (enzymelinked immunosorbent assay) was established in 2012 for use in conjunction with Ph. Eur. general chapter 2.7.14 Assay of hepatitis A vaccine. It is composed of a coating reagent and a set of detection antibodies. As stocks of the latter are running low, the European Directorate for the Quality of Medicines & HealthCare (EDQM) organised a collaborative study to qualify replacement batches. The candidate BRR antibodies (primary monoclonal antibody and labelled secondary antibody) were prepared under appropriate conditions from starting materials similar to those used for the current batches. The new batches of antibodies were tested alongside previous batches of BRRs to ensure continuity, and the results confirmed that they were suitable for use in the potency assay of hepatitis A vaccines by ELISA using the standard method referenced in Ph. Eur. general chapter 2.7.14 at the same final concentrations as the previous batches, i.e. 1:500 for the primary monoclonal antibody and 1:400 for the secondary conjugated antibody. The outcome of the study allowed their establishment by the Ph. Eur. Commission in March 2015 as anti-hepatitis A virus primary detection antibody BRR batch 3 and conjugated secondary detection antibody BRR batch 3 respectively. They are available from the EDQM as hepatitis A vaccine ELISA detection antibodies set BRR batch 3.

42 CFR Appendix - Tables to Subpart L of Part 84

Code of Federal Regulations, 2010 CFR

2010-10-01

... respiratory protection against more than one gas of a type, as for use in chlorine and sulfur dioxide, the... Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine Equilibrated Cl2... Sulfur dioxide As received SO2 500 64 3 5 30 Sulfur dioxide Equilibrated SO2 500 32 4 5 30 1 Minimum life...

Electron-ion temperature equilibration in warm dense tantalum

DOE PAGES

Doppner, T; LePape, S.; Ma, T.; ...

2014-11-05

We present measurements of electron-ion temperature equilibration in proton-heated tantalum, under warm dense matter conditions. Our results agree with theoretical predictions for metals calculated using input data from ab initio simulations. Furthermore, the fast relaxation observed in the experiment contrasts with much longer equilibration times found in proton heated carbon, indicating that the energy flow pathways in warm dense matter are far from being fully understood.

The effect of chars and their water extractable organic carbon (WEOC) fractions on atrazine adsorption-desorption processes

NASA Astrophysics Data System (ADS)

Cavoski, I.; Jablonowski, N.; Burauel, P.; Miano, T.

2012-04-01

Chars are carbonaceous material produced from different type of biomass by pyrolysis. They are known as highly effective adsorbents for atrazine therefore limiting its degradation and its diffusion into the aqueous phase. The aim of the present work is to study the effects of different chars and char's derived WEOC on atrazine sorption-desorption processes. The five chars been used in this study derived from: 1) fast pyrolysis from hard wood (FP1); 2) flash pyrolysis from soft wood (FP2); 3) slow pyrolysis from deciduous wood (CC); 4) gasification from deciduous wood (GC) and 5) the market, purchased as activated charcoal standard (AC). Short-term batch equilibration tests were conducted to assess the sorption-desorption behavior of 14C-labeled atrazine on the chars, with a special focus on the desorption behavior using successive dilution method with six consecutive desorption step. Chars and their WEOC were physically and chemically characterized. Results demonstrate that biomass and pyrolysis process used to produce chars affect their physical and chemical properties, and atrazine adsorption-desorption behavior. Atrazine desorption resulted from the positive and competitive interactions between WEOC and chars surfaces. WEOC pool play important role in atrazine adsorption-desorption behavior. FP1 and FP2 with higher concentration of WEOC showed higher desorption rates, whereas GC, CC and AC with insignificant WEOC concentration strongly adsorb atrazine with low desorption rates. According to our results, when high WEOC pools chars are concerned, an increase in atrazine desorption can be observed but further studies would help in confirming the present results.

Effect of increasing equilibration time of diluted bull semen up to 72 h prior to freezing on sperm quality parameters and calving rate following artificial insemination.

PubMed

Murphy, E M; Eivers, B; O'Meara, C M; Lonergan, P; Fair, S

2018-03-01

An equilibration period of approximately 3-4 h prior to semen cryopreservation is standard practice for maintaining membrane integrity and motility of bull sperm. However, a number of studies indicate that an overnight equilibration period prior to freezing results in improved post-thaw semen quality thus optimising pregnancy rates. The aim of this study was to assess the effect of increasing the equilibration time of bull semen up to 72 h before freezing on sperm quality parameters and calving rate (CR) following artificial insemination (AI) with frozen-thawed semen. The effect of holding semen at 4 °C for 6, 24, 48 or 72 h post dilution before freezing on subsequent post-thaw total and progressive motility (Experiment 1) and field fertility (n = 1640 inseminations, Experiment 2) of frozen-thawed semen was assessed. Equilibration time did not affect post-thaw total and progressive motility (P > 0.05). In addition, there was no effect (P > 0.05) of equilibration time on field fertility with a CR of 53.3, 50.5, 51.3 and 47.3 for the 6, 24, 48 and 72 h treatments, respectively. In conclusion, increasing the equilibration time of diluted bull semen from 6 to 72 h had no significant effect on CR, within the expected range of fertility outcomes, thus providing semen processing centres with flexibility in the time which semen can be held prior to freezing. Copyright © 2017 Elsevier Inc. All rights reserved.

Fast Batch Production of High-Quality Graphene Films in a Sealed Thermal Molecular Movement System.

PubMed

Xu, Jianbao; Hu, Junxiong; Li, Qi; Wang, Rubing; Li, Weiwei; Guo, Yufen; Zhu, Yongbo; Liu, Fengkui; Ullah, Zaka; Dong, Guocai; Zeng, Zhongming; Liu, Liwei

2017-07-01

Chemical vapor deposition (CVD) growth of high-quality graphene has emerged as the most promising technique in terms of its integrated manufacturing. However, there lacks a controllable growth method for producing high-quality and a large-quantity graphene films, simultaneously, at a fast growth rate, regardless of roll-to-roll (R2R) or batch-to-batch (B2B) methods. Here, a stationary-atmospheric-pressure CVD (SAPCVD) system based on thermal molecular movement, which enables fast B2B growth of continuous and uniform graphene films on tens of stacked Cu(111) foils, with a growth rate of 1.5 µm s -1 , is demonstrated. The monolayer graphene of batch production is found to nucleate from arrays of well-aligned domains, and the films possess few defects and exhibit high carrier mobility up to 6944 cm 2 V -1 s -1 at room temperature. The results indicate that the SAPCVD system combined with single-domain Cu(111) substrates makes it possible to realize fast batch-growth of high-quality graphene films, which opens up enormous opportunities to use this unique 2D material for industrial device applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A high-throughput media design approach for high performance mammalian fed-batch cultures

PubMed Central

Rouiller, Yolande; Périlleux, Arnaud; Collet, Natacha; Jordan, Martin; Stettler, Matthieu; Broly, Hervé

2013-01-01

An innovative high-throughput medium development method based on media blending was successfully used to improve the performance of a Chinese hamster ovary fed-batch medium in shaking 96-deepwell plates. Starting from a proprietary chemically-defined medium, 16 formulations testing 43 of 47 components at 3 different levels were designed. Media blending was performed following a custom-made mixture design of experiments considering binary blends, resulting in 376 different blends that were tested during both cell expansion and fed-batch production phases in one single experiment. Three approaches were chosen to provide the best output of the large amount of data obtained. A simple ranking of conditions was first used as a quick approach to select new formulations with promising features. Then, prediction of the best mixes was done to maximize both growth and titer using the Design Expert software. Finally, a multivariate analysis enabled identification of individual potential critical components for further optimization. Applying this high-throughput method on a fed-batch, rather than on a simple batch, process opens new perspectives for medium and feed development that enables identification of an optimized process in a short time frame. PMID:23563583

The Discontinuous Galerkin Method for the Multiscale Modeling of Dynamics of Crystalline Solids

DTIC Science & Technology

2007-08-26

number. 1. REPORT DATE 26 AUG 2007 2 . REPORT TYPE 3. DATES COVERED 00-00-2007 to 00-00-2007 4. TITLE AND SUBTITLE The Discontinuous Galerkin...Dynamics method (MAAD) [ 2 ], the bridging scale method [47], the bridging domain methods [48], the heterogeneous multiscale method (HMM) [23, 36, 24], and...method consists of three components, 1. a macro solver for the continuum model, 2 . a micro solver to equilibrate the atomistic system locally to the appro

Development of an UPLC-MS/MS Sulfonamide Multi-residue Method and its Application to Water, Manure Slurry, and Soils from Swine Rearing Facilities

USDA-ARS?s Scientific Manuscript database

An analytical method was developed using ultra performance liquid chromatography-triple quadrupole-tandem mass spectrometry (UPLC-TQ-MS/MS) to simultaneously analyze 14 sulfonamides (SA) in six minutes. Despite the rapidity of the assay the system was properly re-equilibrated in this time. No carryo...

Fast gradient separation by very high pressure liquid chromatography: reproducibility of analytical data and influence of delay between successive runs.

PubMed

Stankovicha, Joseph J; Gritti, Fabrice; Beaver, Lois Ann; Stevensona, Paul G; Guiochon, Georges

2013-11-29

Five methods were used to implement fast gradient separations: constant flow rate, constant column-wall temperature, constant inlet pressure at moderate and high pressures (controlled by a pressure controller),and programmed flow constant pressure. For programmed flow constant pressure, the flow rates and gradient compositions are controlled using input into the method instead of the pressure controller. Minor fluctuations in the inlet pressure do not affect the mobile phase flow rate in programmed flow. There producibilities of the retention times, the response factors, and the eluted band width of six successive separations of the same sample (9 components) were measured with different equilibration times between 0 and 15 min. The influence of the length of the equilibration time on these reproducibilities is discussed. The results show that the average column temperature may increase from one separation to the next and that this contributes to fluctuation of the results.

A simple method to determine evaporation and compensate for liquid losses in small-scale cell culture systems.

PubMed

Wiegmann, Vincent; Martinez, Cristina Bernal; Baganz, Frank

2018-04-24

Establish a method to indirectly measure evaporation in microwell-based cell culture systems and show that the proposed method allows compensating for liquid losses in fed-batch processes. A correlation between evaporation and the concentration of Na + was found (R 2  = 0.95) when using the 24-well-based miniature bioreactor system (micro-Matrix) for a batch culture with GS-CHO. Based on these results, a method was developed to counteract evaporation with periodic water additions based on measurements of the Na + concentration. Implementation of this method resulted in a reduction of the relative liquid loss after 15 days of a fed-batch cultivation from 36.7 ± 6.7% without volume corrections to 6.9 ± 6.5% with volume corrections. A procedure was established to indirectly measure evaporation through a correlation with the level of Na + ions in solution and deriving a simple formula to account for liquid losses.

Method for Determination of Less Than 5 ppm Oxygen in Sodium Samples

NASA Technical Reports Server (NTRS)

Reid, R. S.; Martin, J. J.; Schmidt, G. L.

2005-01-01

Alkali metals used in pumped loops or heat pipes must be sufficiently free of nonmetallic impurities to ensure long heat rejection system life. Life issues are well established for alkali metal systems. Impurities can form ternary compounds between the container and working fluid, leading to corrosion. This Technical Memorandum discusses the consequences of impurities and candidate measurement techniques to determine whether impurities have been reduced to suf.ciently low levels within a single-phase liquid metal loop or a closed two-phase heat transfer system, such as a heat pipe. These techniques include the vanadium wire equilibration, neutron activation analysis, plug traps, distillation, and chemical analysis. Conceptual procedures for performing vanadium wire equilibration purity measurements on sodium contained in a heat pipe are discussed in detail.

Interactive computer methods for generating mineral-resource maps

USGS Publications Warehouse

Calkins, James Alfred; Crosby, A.S.; Huffman, T.E.; Clark, A.L.; Mason, G.T.; Bascle, R.J.

1980-01-01

Inasmuch as maps are a basic tool of geologists, the U.S. Geological Survey's CRIB (Computerized Resources Information Bank) was constructed so that the data it contains can be used to generate mineral-resource maps. However, by the standard methods used-batch processing and off-line plotting-the production of a finished map commonly takes 2-3 weeks. To produce computer-generated maps more rapidly, cheaply, and easily, and also to provide an effective demonstration tool, we have devised two related methods for plotting maps as alternatives to conventional batch methods. These methods are: 1. Quick-Plot, an interactive program whose output appears on a CRT (cathode-ray-tube) device, and 2. The Interactive CAM (Cartographic Automatic Mapping system), which combines batch and interactive runs. The output of the Interactive CAM system is final compilation (not camera-ready) paper copy. Both methods are designed to use data from the CRIB file in conjunction with a map-plotting program. Quick-Plot retrieves a user-selected subset of data from the CRIB file, immediately produces an image of the desired area on a CRT device, and plots data points according to a limited set of user-selected symbols. This method is useful for immediate evaluation of the map and for demonstrating how trial maps can be made quickly. The Interactive CAM system links the output of an interactive CRIB retrieval to a modified version of the CAM program, which runs in the batch mode and stores plotting instructions on a disk, rather than on a tape. The disk can be accessed by a CRT, and, thus, the user can view and evaluate the map output on a CRT immediately after a batch run, without waiting 1-3 days for an off-line plot. The user can, therefore, do most of the layout and design work in a relatively short time by use of the CRT, before generating a plot tape and having the map plotted on an off-line plotter.

Impact of utilisation of uncompleted handouts on power point presentations (PPT) in rural Indian medical institute

PubMed Central

BHAISARE, ROSHAN; KAMBLE, BHAVNA

2016-01-01

Introduction Note taking while attending a PPT requires high activity of memory and writing process which ultimately leads to what is called “death by power point” referring to boredom and fatigue.  To overcome this we planned to evaluate the impact of utilisation of uncompleted handouts given prior to PPT presentations. Methods Final year MBBS students were divided in 2 batches, batch A and batch B.  For a set of lectures one batch was provided with handouts before lecture while the other batch was given lectures only. Crossover was done to avoid bias, all the lectures being given by the same presenter.  At the end of each lecture, a short questionnaire of 10 Multiple Choice Question (MCQ) was provided to the students. Mean scores were calculated for lectures with handouts and without handouts. Results For a set of lectures, when batch A was provided with handouts, the mean score was 28.2; for batch B to which no handouts were given the mean score was 23.4. Similarly, for batch B when provided with handouts the mean score was 29.1, for batch A which was not provided with handouts the mean score was 24. There was an average increase of 4.2 marks. Actual gain when handouts were provided was 1.2 marks per lecture.  It was more for the batch comprising of repeater students as compared to the batch of fresher students. Increase in attendance was also noted. Conclusion Providing uncompleted handouts before a didactic lecture definitely results in increase in knowledge gain; repeater students benefit more with uncompleted handouts, PMID:27382583

Stable oxygen and hydrogen isotopes of brines - comparing isotope ratio mass spectrometry and isotope ratio infrared spectroscopy

NASA Astrophysics Data System (ADS)

Ahrens, Christian; Koeniger, Paul; van Geldern, Robert; Stadler, Susanne

2013-04-01

Today's standard analytical methods for high precision stable isotope analysis of fluids are gas-water equilibration and high temperature pyrolysis coupled to isotope ratio mass spectrometers (IRMS). In recent years, relatively new laser-based analytical instruments entered the market that are said to allow high isotope precision data on nearly every media. This optical technique is referred to as isotope ratio infrared spectroscopy (IRIS). The objective of this study is to evaluate the capability of this new instrument type for highly saline solutions and a comparison of the analytical results with traditional IRMS analysis. It has been shown for the equilibration method that the presence of salts influences the measured isotope values depending on the salt concentration (see Lécuyer et al, 2009; Martineau, 2012). This so-called 'isotope salt effect' depends on the salt type and salt concentration. These factors change the activity in the fluid and therefore shift the isotope ratios measured by the equilibration method. Consequently, correction factors have to be applied to these analytical data. Direct conversion techniques like pyrolysis or the new laser instruments allow the measurement of the water molecule from the sample directly and should therefore not suffer from the salt effect, i.e. no corrections of raw values are necessary. However, due to high salt concentrations this might cause technical problems with the analytical hardware and may require labor-intensive sample preparation (e.g. vacuum distillation). This study evaluates the salt isotope effect for the IRMS equilibration technique (Thermo Gasbench II coupled to Delta Plus XP) and the laser-based IRIS instruments with liquid injection (Picarro L2120-i). Synthetic salt solutions (NaCl, KCl, CaCl2, MgCl2, MgSO4, CaSO4) and natural brines collected from the Stassfurt Salt Anticline (Germany; Stadler et al., 2012) were analysed with both techniques. Salt concentrations ranged from seawater salinity up to full saturation. References Lécuyer, C. et al. (2009). Chem. Geol., 264, 122-126. [doi:10.1016/j.chemgeo.2009.02.017] Martineau, F. et al. (2012). Chem. Geol., 291, 236-240. [doi:10.1016/j.chemgeo.2011.10.017] Stadler, S. et al. (2012). Chem. Geol., 294-295, 226-242. [doi:10.1016/j.chemgeo.2011.12.006

A Simple Method to Reduce both Lactic Acid and Ammonium Production in Industrial Animal Cell Culture

PubMed Central

Freund, Nathaniel W.; Croughan, Matthew S.

2018-01-01

Fed-batch animal cell culture is the most common method for commercial production of recombinant proteins. However, higher cell densities in these platforms are still limited due to factors such as excessive ammonium production, lactic acid production, nutrient limitation, and/or hyperosmotic stress related to nutrient feeds and base additions to control pH. To partly overcome these factors, we investigated a simple method to reduce both ammonium and lactic acid production—termed Lactate Supplementation and Adaptation (LSA) technology—through the use of CHO cells adapted to a lactate-supplemented medium. Using this simple method, we achieved a reduction of nearly 100% in lactic acid production with a simultaneous 50% reduction in ammonium production in batch shaker flasks cultures. In subsequent fed-batch bioreactor cultures, lactic acid production and base addition were both reduced eight-fold. Viable cell densities of 35 million cells per mL and integral viable cell days of 273 million cell-days per mL were achieved, both among the highest currently reported for a fed-batch animal cell culture. Investigating the benefits of LSA technology in animal cell culture is worthy of further consideration and may lead to process conditions more favorable for advanced industrial applications. PMID:29382079

A Simple Method to Reduce both Lactic Acid and Ammonium Production in Industrial Animal Cell Culture.

PubMed

Freund, Nathaniel W; Croughan, Matthew S

2018-01-28

Fed-batch animal cell culture is the most common method for commercial production of recombinant proteins. However, higher cell densities in these platforms are still limited due to factors such as excessive ammonium production, lactic acid production, nutrient limitation, and/or hyperosmotic stress related to nutrient feeds and base additions to control pH. To partly overcome these factors, we investigated a simple method to reduce both ammonium and lactic acid production-termed Lactate Supplementation and Adaptation (LSA) technology-through the use of CHO cells adapted to a lactate-supplemented medium. Using this simple method, we achieved a reduction of nearly 100% in lactic acid production with a simultaneous 50% reduction in ammonium production in batch shaker flasks cultures. In subsequent fed-batch bioreactor cultures, lactic acid production and base addition were both reduced eight-fold. Viable cell densities of 35 million cells per mL and integral viable cell days of 273 million cell-days per mL were achieved, both among the highest currently reported for a fed-batch animal cell culture. Investigating the benefits of LSA technology in animal cell culture is worthy of further consideration and may lead to process conditions more favorable for advanced industrial applications.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics.

PubMed

Porru, Marcella; Özkan, Leyla

2017-05-24

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics

PubMed Central

2017-01-01

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators. PMID:28603342

Mini-batch optimized full waveform inversion with geological constrained gradient filtering

NASA Astrophysics Data System (ADS)

Yang, Hui; Jia, Junxiong; Wu, Bangyu; Gao, Jinghuai

2018-05-01

High computation cost and generating solutions without geological sense have hindered the wide application of Full Waveform Inversion (FWI). Source encoding technique is a way to dramatically reduce the cost of FWI but subject to fix-spread acquisition setup requirement and slow convergence for the suppression of cross-talk. Traditionally, gradient regularization or preconditioning is applied to mitigate the ill-posedness. An isotropic smoothing filter applied on gradients generally gives non-geological inversion results, and could also introduce artifacts. In this work, we propose to address both the efficiency and ill-posedness of FWI by a geological constrained mini-batch gradient optimization method. The mini-batch gradient descent optimization is adopted to reduce the computation time by choosing a subset of entire shots for each iteration. By jointly applying the structure-oriented smoothing to the mini-batch gradient, the inversion converges faster and gives results with more geological meaning. Stylized Marmousi model is used to show the performance of the proposed method on realistic synthetic model.

Intact cell mass spectrometry as a progress tracking tool for batch and fed-batch fermentation processes.

PubMed

Helmel, Michaela; Marchetti-Deschmann, Martina; Raus, Martin; Posch, Andreas E; Herwig, Christoph; Šebela, Marek; Allmaier, Günter

2015-02-01

Penicillin production during a fermentation process using industrial strains of Penicillium chrysogenum is a research topic permanently discussed since the accidental discovery of the antibiotic. Intact cell mass spectrometry (ICMS) can be a fast and novel monitoring tool for the fermentation progress during penicillin V production in a nearly real-time fashion. This method is already used for the characterization of microorganisms and the differentiation of fungal strains; therefore, the application of ICMS to samples directly harvested from a fermenter is a promising possibility to get fast information about the progress of fungal growth. After the optimization of the ICMS method to penicillin V fermentation broth samples, the obtained ICMS data were evaluated by hierarchical cluster analysis or an in-house software solution written especially for ICMS data comparison. Growth stages of a batch and fed-batch fermentation of Penicillium chrysogenum are differentiated by one of those statistical approaches. The application of two matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) instruments in the linear positive ion mode from different vendors demonstrated the universal applicability of the developed ICMS method. The base for a fast and easy-to-use method for monitoring the fermentation progress of P. chrysogenum is created with this ICMS method developed especially for fermentation broth samples. Copyright © 2014 Elsevier Inc. All rights reserved.

[Study on HPLC fingerprint of Oldenlandia diffusa].

PubMed

Chen, Yan; Yao, Zhi-Hong; Dai, Yi; Cheng, Hong; Wen, Li-Rong; Zhou, Guang-Xiong; Yao, Xin-Sheng

2012-06-01

To establish the HPLC fingerprint chromatogram of Oldenlandia diffusa coupled with chemometrics means for the quality control of multi-batches of medicinal material. The separation was developed on C18 column(4.6 mm x 250 mm, 5 microm) by gradient elution with acetonitrile-water(both containing 0.1 per thousand (V/V) ocetic acid) as mobile phase at a flow rate of 0.8 mL/min, the detection wavelength at 238 nm and column temperature at 30 degrees C. The HPLC fingerprint chromatogram of Oldenlandia diffusa was set up and the main characteristic peaks were identified by comparing with chemical reference substance. The quality of 22 batches of medicinal material was evaluated by similarity assay as well as principal component analysis (PCA) and cluster analysis. The established HPLC fingerprint chromatogram of Oldenlandia diffusa was specific, precise, reproducible and stable. 11 peaks were chemically identified. The similarity of 17 batches of Oldenlandia diffusa was obviously higher than 5 batches of adulterants. PCA showed that 17 batches of Oldenlandia diffusa were in a domain and 5 batches of adulterants were far apart from the domain. The cluster analysis of the 22 batches of medicinal material showed that 17 batches of Oldenlandia diffusa were in a cluster while 5 batches of adulterants were excluded. Further cluster analysis was carried out for the quality consistency of 17 batches of Oldenlandia diffusa and accordingly they were devided into 4 clusters. With the combination of chemometrics means, the HPLC fingerprint chromatogram provides a method for evaluation of authenticity and quality control of Oldenlandia diffusa, which is favorable to improve overall quality control of Oldenlandia diffusa.

DISSOLVED OXYGEN AND METHANE IN WATER BY A GC HEADSPACE EQUILIBRATION TECHNIQUE

EPA Science Inventory

An analytical procedure is described for the determination of dissolved oxygen and methane in groundwater samples. The method consists of generating a helium gas headspace in a water filled bottle, and analysis of the headspace by gas chromatography. Other permanent gases such as...

Continuous high-frequency dissolved O2/Ar measurements by equilibrator inlet mass spectrometry.

PubMed

Cassar, Nicolas; Barnett, Bruce A; Bender, Michael L; Kaiser, Jan; Hamme, Roberta C; Tilbrook, Bronte

2009-03-01

The oxygen (O(2)) concentration in the surface ocean is influenced by biological and physical processes. With concurrent measurements of argon (Ar), which has similar solubility properties as oxygen, we can remove the physical contribution to O(2) supersaturation and determine the biological oxygen supersaturation. Biological O(2) supersaturation in the surface ocean reflects the net metabolic balance between photosynthesis and respiration, i.e., the net community productivity (NCP). We present a new method for continuous shipboard measurements of O(2)/Ar by equilibrator inlet mass spectrometry (EIMS). From these measurements and an appropriate gas exchange parametrization, NCP can be estimated at high spatial and temporal resolution. In the EIMS configuration, seawater from the ship's continuous intake flows through a cartridge enclosing a gas-permeable microporous membrane contactor. Gases in the headspace of the cartridge equilibrate with dissolved gases in the flowing seawater. A fused-silica capillary continuously samples headspace gases, and the O(2)/Ar ratio is measured by mass spectrometry. The ion current measurements on the mass spectrometer reflect the partial pressures of dissolved gases in the water flowing through the equilibrator. Calibration of the O(2)/Ar ion current ratio (32/40) is performed automatically every 2 h by sampling ambient air through a second capillary. A conceptual model demonstrates that the ratio of gases reaching the mass spectrometer is dependent on several parameters, such as the differences in molecular diffusivities and solubilities of the gases. Laboratory experiments and field observations performed by EIMS are discussed. We also present preliminary evidence that other gas measurements, such as N(2)/Ar and pCO(2) measurements, may potentially be performed with EIMS. Finally, we compare the characteristics of the EIMS with the previously described membrane inlet mass spectrometry (MIMS) approach.

Time and temperature dependent adsorption-desorption behaviour of pretilachlor in soil.

PubMed

Kaur, Paawan; Kaur, Pervinder

2018-06-04

Understanding and quantifying the adsorption-desorption behaviour of herbicide in soil is imperative for predicting their fate and transport in the environment. In the present study, the effect of time and temperature on the adsorption-desorption behaviour of pretilachlor in soils was investigated using batch equilibration technique. The adsorption-desorption kinetics of pretilachlor in soils was two step process and was well described by pseudo-second-order kinetic model. Freundlich model accurately predicted the sorption behaviour of pretilachlor. The adsorption-desorption of pretilachlor varied significantly with the concentration, temperature and properties of soil viz. organic matter and clay content. All the studied soils had non-linear slopes (n < 1) and degree of nonlinearity increased with increase in clay, organic matter content and temperature (p < 0.05). Desorption of pretilachlor was hysteretic in studied soils and hysteresis coefficient varied from 0.023 to 0.275. Thermodynamic analysis showed that pretilachlor adsorption onto soils was a feasible, spontaneous and endothermic process which becomes more favourable at high temperature. It could be inferred that the adsorption of pretilachlor on soils was physical in nature. Copyright © 2018 Elsevier Inc. All rights reserved.

Maize, switchgrass, and ponderosa pine biochar added to soil increased herbicide sorption and decreased herbicide efficacy.

PubMed

Clay, Sharon A; Krack, Kaitlynn K; Bruggeman, Stephanie A; Papiernik, Sharon; Schumacher, Thomas E

2016-08-02

Biochar, a by-product of pyrolysis made from a wide array of plant biomass when producing biofuels, is a proposed soil amendment to improve soil health. This study measured herbicide sorption and efficacy when soils were treated with low (1% w/w) or high (10% w/w) amounts of biochar manufactured from different feedstocks [maize (Zea mays) stover, switchgrass (Panicum vigatum), and ponderosa pine (Pinus ponderosa)], and treated with different post-processing techniques. Twenty-four hour batch equilibration measured sorption of (14)C-labelled atrazine or 2,4-D to two soil types with and without biochar amendments. Herbicide efficacy was measured with and without biochar using speed of seed germination tests of sensitive species. Biochar amended soils sorbed more herbicide than untreated soils, with major differences due to biochar application rate but minor differences due to biochar type or post-process handling technique. Biochar presence increased the speed of seed germination compared with herbicide alone addition. These data indicate that biochar addition to soil can increase herbicide sorption and reduce efficacy. Evaluation for site-specific biochar applications may be warranted to obtain maximal benefits without compromising other agronomic practices.

Uranium removal from aqueous solution by coir pith: equilibrium and kinetic studies.

PubMed

Parab, Harshala; Joshi, Shreeram; Shenoy, Niyoti; Verma, Rakesh; Lali, Arvind; Sudersanan, M

2005-07-01

Basic aspects of uranium adsorption by coir pith have been investigated by batch equilibration. The influence of different experimental parameters such as final solution pH, adsorbent dosage, sorption time, temperature and various concentrations of uranium on uptake were evaluated. Maximum uranium adsorption was observed in the pH range 4.0-6.0. The Freundlich and Langmuir adsorption models were used for the mathematical description of the adsorption equilibrium. The equilibrium data fitted well to both the equilibrium models in the studied concentration range of uranium (200-800 mg/l) and temperatures (305-336 K). The coir pith exhibited the highest uptake capacity for uranium at 317 K, at the final solution pH value of 4.3 and at the initial uranium concentration of 800 mg/l. The kinetics of the adsorption process followed a second-order adsorption. The adsorbent used proved to be suitable for removal of uranium from aqueous solutions. 0.2 N HCl was effective in uranium desorption. The results indicated that the naturally abundant coir pith of otherwise nuisance value exhibited considerable potential for application in removal of uranium from aqueous solution.

The rate of equilibration of viscous aerosol particles

NASA Astrophysics Data System (ADS)

O'Meara, Simon; Topping, David O.; McFiggans, Gordon

2016-04-01

The proximity of atmospheric aerosol particles to equilibrium with their surrounding condensable vapours can substantially impact their transformations, fate and impacts and is the subject of vibrant research activity. In this study we first compare equilibration timescales estimated by three different models for diffusion through aerosol particles to assess any sensitivity to choice of model framework. Equilibration times for diffusion coefficients with varying dependencies on composition are compared for the first time. We show that even under large changes in the saturation ratio of a semi-volatile component (es) of 1-90 % predicted equilibration timescales are in agreement, including when diffusion coefficients vary with composition. For condensing water and a diffusion coefficient dependent on composition, a plasticising effect is observed, leading to a decreased estimated equilibration time with increasing final es. Above 60 % final es maximum equilibration times of around 1 s are estimated for comparatively large particles (10 µm) containing a relatively low diffusivity component (1 × 10-25 m2 s-1 in pure form). This, as well as other results here, questions whether particle-phase diffusion through water-soluble particles can limit hygroscopic growth in the ambient atmosphere. In the second part of this study, we explore sensitivities associated with the use of particle radius measurements to infer diffusion coefficient dependencies on composition using a diffusion model. Given quantified similarities between models used in this study, our results confirm considerations that must be taken into account when designing such experiments. Although quantitative agreement of equilibration timescales between models is found, further work is necessary to determine their suitability for assessing atmospheric impacts, such as their inclusion in polydisperse aerosol simulations.

An integer batch scheduling model considering learning, forgetting, and deterioration effects for a single machine to minimize total inventory holding cost

NASA Astrophysics Data System (ADS)

Yusriski, R.; Sukoyo; Samadhi, T. M. A. A.; Halim, A. H.

2018-03-01

This research deals with a single machine batch scheduling model considering the influenced of learning, forgetting, and machine deterioration effects. The objective of the model is to minimize total inventory holding cost, and the decision variables are the number of batches (N), batch sizes (Q[i], i = 1, 2, .., N) and the sequence of processing the resulting batches. The parts to be processed are received at the right time and the right quantities, and all completed parts must be delivered at a common due date. We propose a heuristic procedure based on the Lagrange method to solve the problem. The effectiveness of the procedure is evaluated by comparing the resulting solution to the optimal solution obtained from the enumeration procedure using the integer composition technique and shows that the average effectiveness is 94%.

[Monitoring method for macroporous resin column chromatography process of salvianolic acids based on near infrared spectroscopy].

PubMed

Hou, Xiang-Mei; Zhang, Lei; Yue, Hong-Shui; Ju, Ai-Chun; Ye, Zheng-Liang

2016-07-01

To study and establish a monitoring method for macroporous resin column chromatography process of salvianolic acids by using near infrared spectroscopy (NIR) as a process analytical technology (PAT).The multivariate statistical process control (MSPC) model was developed based on 7 normal operation batches, and 2 test batches (including one normal operation batch and one abnormal operation batch) were used to verify the monitoring performance of this model. The results showed that MSPC model had a good monitoring ability for the column chromatography process. Meanwhile, NIR quantitative calibration model was established for three key quality indexes (rosmarinic acid, lithospermic acid and salvianolic acid B) by using partial least squares (PLS) algorithm. The verification results demonstrated that this model had satisfactory prediction performance. The combined application of the above two models could effectively achieve real-time monitoring for macroporous resin column chromatography process of salvianolic acids, and can be used to conduct on-line analysis of key quality indexes. This established process monitoring method could provide reference for the development of process analytical technology for traditional Chinese medicines manufacturing. Copyright© by the Chinese Pharmaceutical Association.

Evaluation of soil water stable isotope analysis by H2O(liquid)-H2O(vapor) equilibration method

NASA Astrophysics Data System (ADS)

Gralher, Benjamin; Stumpp, Christine

2014-05-01

Environmental tracers like stable isotopes of water (δ18O, δ2H) have proven to be valuable tools to study water flow and transport processes in soils. Recently, a new technique for soil water isotope analysis has been developed that employs a vapor phase being in isothermal equilibrium with the liquid phase of interest. This has increased the potential application of water stable isotopes in unsaturated zone studies as it supersedes laborious extraction of soil water. However, uncertainties of analysis and influencing factors need to be considered. Therefore, the objective of this study was to evaluate different methodologies of analysing stable isotopes in soil water in order to reduce measurement uncertainty. The methodologies included different preparation procedures of soil cores for equilibration of vapor and soil water as well as raw data correction. Two different inflatable sample containers (freezer bags, bags containing a metal layer) and equilibration atmospheres (N2, dry air) were tested. The results showed that uncertainties for δ18O were higher compared to δ2H that cannot be attributed to any specific detail of the processing routine. Particularly, soil samples with high contents of organic matter showed an apparent isotope enrichment which is indicative for fractionation due to evaporation. However, comparison of water samples obtained from suction cups with the local meteoric water line indicated negligible fractionation processes in the investigated soils. Therefore, a method was developed to correct the raw data reducing the uncertainties of the analysis.. We conclude that the evaluated method is advantageous over traditional methods regarding simplicity, resource requirements and sample throughput but careful consideration needs to be made regarding sample handling and data processing. Thus, stable isotopes of water are still a good tool to determine water flow and transport processes in the unsaturated zone.

Association between microbiological and serological prevalence of human pathogenic Yersinia spp. in pigs and pig batches.

PubMed

Vanantwerpen, Gerty; Berkvens, Dirk; De Zutter, Lieven; Houf, Kurt

2015-07-09

Pigs are the main reservoir of human pathogenic Y. enterocolitica, and the microbiological and serological prevalence of this pathogen differs between pig farms. The infection status of pig batches at moment of slaughter is unknown while it is a possibility to classify batches. A relation between the presence of human pathogenic Yersinia spp. and the presence of antibodies could help to predict the infection of the pigs prior to slaughter. Pigs from 100 different batches were sampled. Tonsils and pieces of diaphragm were collected from 7047 pigs (on average 70 pigs per batch). The tonsils were analyzed using a direct plating method and the meat juice collected from the pieces of diaphragm was analyzed by Enzyme Linked ImmunoSorbent Assay. The microbiological and serological results were compared using a mixed-effects logistic regression at pig and batch level. Yersinia spp. were found in 2031 (28.8%) pigs, antibodies were present in 4692 (66.6%) pigs. According to the logistic regression, there was no relation at pig level between the presence of Yersinia spp. in tonsils and the presence of antibodies. Contrarily, at batch level, a mean activity value of 37 Optical Density (OD)% indicated a Yersinia spp. positive farm and the microbiological prevalence in pig batches could be estimated before shipment to the slaughterhouse. This offers the opportunity to classify batches based on their potential risk to contaminate carcasses with human pathogenic Yersinia spp. Copyright © 2015 Elsevier B.V. All rights reserved.

Profiling indomethacin impurities using high-performance liquid chromatography and nuclear magnetic resonance.

PubMed

Hess, S; Teubert, U; Ortwein, J; Eger, K

2001-12-01

The anti-inflammatory drug indomethacin was investigated regarding new related impurities. Therefore, related substances 2-9 were prepared by independent synthesis and physicochemically characterized. To determine indomethacin and its related substances, a new HPLC-UV method was developed and validated. Indomethacin and its impurities were eluted on a C(18) column with a mobile phase consisting of methanol and an aqueous solution of 0.2% phosphoric acid at a flow rate of 1.5 ml/min and were quantified by UV detection at 320 nm. Overall, the HPLC-UV method was simple and reliable for the detection of eight impurities in indomethacin. In addition to the HPLC-UV method, 1H nuclear magnetic resonance (NMR) was used to investigate indomethacin regarding impurities. For that purpose, related substances 2-9 were systematically added to indomethacin and investigated. The NMR method was found to be very useful for the identification of impurities in bulk substance without prior separation. Both HPLC-UV and NMR were used to analyze 38 batches of indomethacin available on the European market. The outcome was that 42% of the batches did not meet the compendial requirements although they met the specifications of current compendial methods. Some batches contained the previously undescribed impurity 8, while other batches contained by-products from two distinct synthetic routes. The methods presented herein are important contributions to the ongoing efforts to reduce impurities and therefore the risk of adverse side-effects in drugs that are no longer under patent protection.

40 CFR 63.1323 - Batch process vents-methods and procedures for group determination.

Code of Federal Regulations, 2010 CFR

2010-07-01

... accepted chemical engineering principles, measurable process parameters, or physical or chemical laws or... recovering monomer, reaction products, by-products, or solvent from a stripper operated in batch mode, and the primary condenser recovering monomer, reaction products, by-products, or solvent from a...

Irreversibility of 2,4-Dichlorophenoxyacetic Acid Sorption onto a Volcanic Ash Soil

NASA Astrophysics Data System (ADS)

Mon, E.; Kawamoto, K.; Komatsu, T.; Moldrup, P.

2008-12-01

Pesticide sorption and desorption in soils are key processes governing fate and transport of pesticides in the soil environment. The irreversibility (or hysteresis) in the processes of pesticide sorption and desorption needs to be known to accurately predict behavior of pesticides in soil systems. 2,4-dichlorophenoxyacetic acid (2,4-D) is a widely used pesticide in agriculture fields. However, only few studies of 2,4-D adsorption onto Andosols (volcanic ash soils) have been published, and the knowledge of 2,4-D desorption onto Andosols is very limited. In this study, a volcanic ash soil sampled from a pasture site in Nishi-Tokyo, Japan was used as a sorbent in order to investigate the irreversibility of 2,4-D sorption. For comparison, a pure clay mineral (kaolinite) obtained from Clay Science Society of Japan (CSSJ) was also used. 2,4-D solutions with three concentrations (0.011, 0.022 and 0.045 mmol/L) were prepared in artificial rain water (ARW= 0.085mM NaCl + 0.015mM CaCl2) to simulate field conditions. To prepare the sample solutions, the solid mass/liquid volume ratio of 1:10 was used for both sorbents (volcanic ash soil and kaolinite). The experiments were conducted in triplicate using a batch method under different pH conditions to examine the effect of pH. Desorption was measured during a equilibration procedure: After removal of 7 mL of supernatant in the sorption step, 7 mL of ARW excluding 2,4-D was added to the sample solution after which, it was equilibrated and centrifuged. The procedure was performed sequentially three or four times to obtain a desorption isotherm. Sorption and desorption generally followed Freundlich isotherms. The results showed markedly effects of pH on 2,4-D sorption and desorption in both the soil and kaolinite, with the percentage of sorption increasing with decreasing pH whereas the percentage of desorption decreased. There was a larger adsorption-desorption hysteresis in the volcanic ash soil as compared to kaolinite. Moreover, the largest hysteresis was found under the lowest pH condition indicating that the hysteretic effect likely depended on the variation of pH. In summary, the volcanic ash soil exhibited higher sorption coefficients and hysteresis than kaolinite, likely due to soil properties such as high organic matter content and the presence of different clay minerals.

Molecular dynamics studies of electron-ion temperature equilibration in hydrogen plasmas within the coupled-mode regime

DOE PAGES

Benedict, Lorin X.; Surh, Michael P.; Stanton, Liam G.; ...

2017-04-10

Here, we use classical molecular dynamics (MD) to study electron-ion temperature equilibration in two-component plasmas in regimes for which the presence of coupled collective modes has been predicted to substantively reduce the equilibration rate. Guided by previous kinetic theory work, we examine hydrogen plasmas at a density of n = 10 26cm –3, T i = 10 5K, and 10 7 K < Te < 10 9K. The nonequilibrium classical MD simulations are performed with interparticle interactions modeled by quantum statistical potentials (QSPs). Our MD results indicate (i) a large effect from time-varying potential energy, which we quantify by appealingmore » to an adiabatic two-temperature equation of state, and (ii) a notable deviation in the energy equilibration rate when compared to calculations from classical Lenard-Balescu theory including the QSPs. In particular, it is shown that the energy equilibration rates from MD are more similar to those of the theory when coupled modes are neglected. We suggest possible reasons for this surprising result and propose directions of further research along these lines.« less

High-resolution measurement of DMS and volatile organic compounds dissolved in seawater using equilibrator inlet-proton transfer reaction-mass spectrometry (EI-PTR-MS)

NASA Astrophysics Data System (ADS)

Kameyama, S.; Tanimoto, H.; Inomata, S.; Tsunogai, U.; Ooki, A.; Yokouchi, Y.; Takeda, S.; Obata, H.; Tsuda, A.; Uematsu, M.

2010-12-01

We developed an equilibrator inlet-proton transfer reaction-mass spectrometry (EI-PTR-MS) for high-resolution measurement of multiple volatile organic compounds (VOCs) dissolved in seawater. The equilibration of six VOC species (dimethyl sulfide (DMS), isoprene, propene, acetone, acetaldehyde, and methanol) between seawater and carrier gas, and the response time of the system were evaluated in the laboratory. While isoprene and propene are not in equilibrium associated with slow response time (≈ 15 min) due to low solubility, other species achieve complete equilibrium with overall response time within 2 min under the condition without water droplets on the inner wall of the headspace of the equilibrator. The EI-PTR-MS instrument was deployed during a cruise in the western North Pacific. For DMS and isoprene, comparison of EI-PTR-MS with a membrane tube equilibrator-gas chromatography/mass spectrometry was made, showing generally good agreement. EI-PTR-MS captured temporal variations of dissolved VOCs including small-scale variability, demonstrating the performance of EI-PTR-MS technique for continuous measurement of multiple VOCs in seawater.

Inorganic fouling mitigation by salinity cycling in batch reverse osmosis.

PubMed

Warsinger, David M; Tow, Emily W; Maswadeh, Laith A; Connors, Grace B; Swaminathan, Jaichander; Lienhard V, John H

2018-06-15

Enhanced fouling resistance has been observed in recent variants of reverse osmosis (RO) desalination which use time-varying batch or semi-batch processes, such as closed-circuit RO (CCRO) and pulse flow RO (PFRO). However, the mechanisms of batch processes' fouling resistance are not well-understood, and models have not been developed for prediction of their fouling performance. Here, a framework for predicting reverse osmosis fouling is developed by comparing the fluid residence time in batch and continuous (conventional) reverse osmosis systems to the nucleation induction times for crystallization of sparingly soluble salts. This study considers the inorganic foulants calcium sulfate (gypsum), calcium carbonate (calcite), and silica, and the work predicts maximum recovery ratios for the treatment of typical water sources using batch reverse osmosis (BRO) and continuous reverse osmosis. The prediction method is validated through comparisons to the measured time delay for CaSO 4 membrane scaling in a bench-scale, recirculating reverse osmosis unit. The maximum recovery ratio for each salt solution (CaCO 3 , CaSO 4 ) is individually predicted as a function of inlet salinity, as shown in contour plots. Next, the maximum recovery ratios of batch and conventional RO are compared across several water sources, including seawater, brackish groundwater, and RO brine. Batch RO's shorter residence times, associated with cycling from low to high salinity during each batch, enable significantly higher recovery ratios and higher salinity than in continuous RO for all cases examined. Finally, representative brackish RO brine samples were analyzed to determine the maximum possible recovery with batch RO. Overall, the induction time modeling methodology provided here can be used to allow batch RO to operate at high salinity and high recovery, while controlling scaling. The results show that, in addition to its known energy efficiency improvement, batch RO has superior inorganic fouling resistance relative to conventional RO. Copyright © 2018 Elsevier Ltd. All rights reserved.

Batch production of microchannel plate photo-multipliers

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

Frisch, Henry J.; Wetstein, Matthew; Elagin, Andrey

In-situ methods for the batch fabrication of flat-panel micro-channel plate (MCP) photomultiplier tube (PMT) detectors (MCP-PMTs), without transporting either the window or the detector assembly inside a vacuum vessel are provided. The method allows for the synthesis of a reflection-mode photocathode on the entrance to the pores of a first MCP or the synthesis of a transmission-mode photocathode on the vacuum side of a photodetector entrance window.

Application of Biosurfactants Produced by Pseudomonas putida using Crude Palm Oil (CPO) as Substrate for Crude Oil Recovery using Batch Method

NASA Astrophysics Data System (ADS)

Suryanti, V.; Handayani, D. S.; Masykur, A.; Septyaningsih, I.

2018-03-01

The application of biosurfactants which have been produced by Pseudomonas putida in nutrient broth medium supplemented with NaCl and crude palm oil (CPO) for oil recovery has been evaluated. The crude and purified biosurfactants have been examined for oil recovery from a laboratory oil-contaminated sand in agitated flask (batch method). Two synthetic surfactants and water as control was also performed for oil recovery as comparisons. Using batch method, the results showed that removing ability of crude oil from the oil-contaminated sand by purified and crude biosurfactants were 79.40±3.10 and 46.84±2.23 %, respectively. On other hand, the recoveries obtained with the SDS, Triton X-100 and water were 94.33±0.47, 74.84±7.39 and 34.42±1.21%respectively.

Equilibration in the time-dependent Hartree-Fock approach probed with the Wigner distribution function

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

Loebl, N.; Maruhn, J. A.; Reinhard, P.-G.

2011-09-15

By calculating the Wigner distribution function in the reaction plane, we are able to probe the phase-space behavior in the time-dependent Hartree-Fock scheme during a heavy-ion collision in a consistent framework. Various expectation values of operators are calculated by evaluating the corresponding integrals over the Wigner function. In this approach, it is straightforward to define and analyze quantities even locally. We compare the Wigner distribution function with the smoothed Husimi distribution function. Different reaction scenarios are presented by analyzing central and noncentral {sup 16}O +{sup 16}O and {sup 96}Zr +{sup 132}Sn collisions. Although we observe strong dissipation in the timemore » evolution of global observables, there is no evidence for complete equilibration in the local analysis of the Wigner function. Because the initial phase-space volumes of the fragments barely merge and mean values of the observables are conserved in fusion reactions over thousands of fm/c, we conclude that the time-dependent Hartree-Fock method provides a good description of the early stage of a heavy-ion collision but does not provide a mechanism to change the phase-space structure in a dramatic way necessary to obtain complete equilibration.« less

Oxygen potential of uranium--plutonium oxide as determined by controlled- atmosphere thermogravimetry

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

Swanson, Gerald C.

1975-10-01

The oxygen-to-metal atom ratio, or O/M, of solid solution uranium- plutonium oxide reactor fuel is a measure of the concentration of crystal defects in the oxide which affect many fuel properties, particularly, fuel oxygen potential. Fabrication of a high-temperature oxygen electrode, employing an electro-active tip of oxygen-deficient solid-state electrolyte, intended to confirm gaseous oxygen potentials is described. Uranium oxide and plutonium oxide O/M reference materials were prepared by in situ oxidation of high purity metals in the thermobalance. A solid solution uranium-plutonium oxide O/M reference material was prepared by alloying the uranium and plutonium metals in a yttrium oxide cruciblemore » at 1200°C and oxidizing with moist He at 250°C. The individual and solid solution oxides were isothermally equilibrated with controlled oxygen potentials between 800 and 1300°C and the equilibrated O/ M ratios calculated with corrections for impurities and buoyancy effects. Use of a reference oxygen potential of -100 kcal/mol to produce an O/M of 2.000 is confirmed by these results. However, because of the lengthy equilibration times required for all oxides, use of the O/M reference materials rather than a reference oxygen potential is recommended for O/M analysis methods calibrations.« less

A comparison of abundance estimates from extended batch-marking and Jolly–Seber-type experiments

PubMed Central

Cowen, Laura L E; Besbeas, Panagiotis; Morgan, Byron J T; Schwarz, Carl J

2014-01-01

Little attention has been paid to the use of multi-sample batch-marking studies, as it is generally assumed that an individual's capture history is necessary for fully efficient estimates. However, recently, Huggins et al. (2010) present a pseudo-likelihood for a multi-sample batch-marking study where they used estimating equations to solve for survival and capture probabilities and then derived abundance estimates using a Horvitz–Thompson-type estimator. We have developed and maximized the likelihood for batch-marking studies. We use data simulated from a Jolly–Seber-type study and convert this to what would have been obtained from an extended batch-marking study. We compare our abundance estimates obtained from the Crosbie–Manly–Arnason–Schwarz (CMAS) model with those of the extended batch-marking model to determine the efficiency of collecting and analyzing batch-marking data. We found that estimates of abundance were similar for all three estimators: CMAS, Huggins, and our likelihood. Gains are made when using unique identifiers and employing the CMAS model in terms of precision; however, the likelihood typically had lower mean square error than the pseudo-likelihood method of Huggins et al. (2010). When faced with designing a batch-marking study, researchers can be confident in obtaining unbiased abundance estimators. Furthermore, they can design studies in order to reduce mean square error by manipulating capture probabilities and sample size. PMID:24558576

Turbidimetric and photometric determination of total tannins in tea using a micro-flow-batch analyzer.

PubMed

Lima, Marcelo B; Andrade, Stéfani I E; Harding, David P; Pistonesi, Marcelo F; Band, Beatriz S F; Araújo, Mário C U

2012-01-15

Both turbidimetric and photometric determinations of total tannins in samples of green and black tea, using a micro-flow-batch analyzer (μFBA) were studied. The miniaturized system was formed using photocurable urethane-acrylate resin and ultraviolet lithography technique. The turbidimetric method was based on the precipitation reaction of Cu (II) with tannins in acetate medium at a pH of 4.5. The photometric method was based on the complexation reaction of tannins with ferrous tartrate. The turbidimetric μFBA was able to test 200 samples per hour. The photometric μFBA allowed 300 analyses per hour, generating 136μL of residue per analysis. The paired t test, at a 95% confidence level, showed no statistically significant differences between results obtained by both methods and the reference method. The urethane-acrylate μFBA maintained satisfactory physical and chemical properties, and represents an improvement over conventional flow-batch analyzer. Copyright © 2011 Elsevier B.V. All rights reserved.

A new CZE method for profiling human serum albumin and its related forms to assess the quality of biopharmaceuticals.

PubMed

Alahmad, Youssef; Tran, Nguyet Thuy; Le Potier, Isabelle; Forest, Eric; Jorieux, Sylvie; Taverna, Myriam

2011-01-01

We present a new CZE method, which uses a polyethylene oxide-coated capillary to separate native HSA from more than five of its structural variants. These variants include oxidized, truncated, and cysteinylated forms of HSA which can all be found in biopharmaceutical products. Both CE and MS confirmed the high degree of heterogeneity of HSA preparations. Recovery studies demonstrated that adsorption of HSA on the capillary was significantly reduced under the conditions we developed, which led to a satisfactory repeatability (RSD for migration times and relative peak areas were less than 0.2 and 7.0%, respectively). Assignment of the main peaks was attempted using in vitro degraded/stressed HSA. We used our method to test batch-to-batch comparability and detected slight quantitative differences in the proportion of native HSA in batches produced from different fractionation methods. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multivariate fault isolation of batch processes via variable selection in partial least squares discriminant analysis.

PubMed

Yan, Zhengbing; Kuang, Te-Hui; Yao, Yuan

2017-09-01

In recent years, multivariate statistical monitoring of batch processes has become a popular research topic, wherein multivariate fault isolation is an important step aiming at the identification of the faulty variables contributing most to the detected process abnormality. Although contribution plots have been commonly used in statistical fault isolation, such methods suffer from the smearing effect between correlated variables. In particular, in batch process monitoring, the high autocorrelations and cross-correlations that exist in variable trajectories make the smearing effect unavoidable. To address such a problem, a variable selection-based fault isolation method is proposed in this research, which transforms the fault isolation problem into a variable selection problem in partial least squares discriminant analysis and solves it by calculating a sparse partial least squares model. As different from the traditional methods, the proposed method emphasizes the relative importance of each process variable. Such information may help process engineers in conducting root-cause diagnosis. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

A Batch Feeder for Inhomogeneous Bulk Materials

NASA Astrophysics Data System (ADS)

Vislov, I. S.; Kladiev, S. N.; Slobodyan, S. M.; Bogdan, A. M.

2016-04-01

The work includes the mechanical analysis of mechanical feeders and batchers that find application in various technological processes and industrial fields. Feeders are usually classified according to their design features into two groups: conveyor-type feeders and non-conveyor feeders. Batchers are used to batch solid bulk materials. Less frequently, they are used for liquids. In terms of a batching method, they are divided into volumetric and weighting batchers. Weighting batchers do not provide for sufficient batching accuracy. Automatic weighting batchers include a mass controlling sensor and systems for automatic material feed and automatic mass discharge control. In terms of operating principle, batchers are divided into gravitational batchers and batchers with forced feed of material using conveyors and pumps. Improved consumption of raw materials, decreased loss of materials, ease of use in automatic control systems of industrial facilities allows increasing the quality of technological processes and improve labor conditions. The batch feeder suggested by the authors is a volumetric batcher that has no comparable counterparts among conveyor-type feeders and allows solving the problem of targeted feeding of bulk material batches increasing reliability and hermeticity of the device.

40 CFR 63.488 - Methods and procedures for batch front-end process vent group determination.

Code of Federal Regulations, 2010 CFR

2010-07-01

... engineering principles, measurable process parameters, or physical or chemical laws or properties. Examples of... primary condenser recovering monomer, reaction products, by-products, or solvent from a stripper operated in batch mode, and the primary condenser recovering monomer, reaction products, by-products, or...

Batch methods for enriching trace impurities in hydrogen gas for their further analysis

DOEpatents

Ahmed, Shabbir; Lee, Sheldon H.D.; Kumar, Romesh; Papdias, Dionissios D.

2014-07-15

Provided herein are batch methods and devices for enriching trace quantities of impurities in gaseous mixtures, such as hydrogen fuel. The methods and devices rely on concentrating impurities using hydrogen transport membranes wherein the time period for concentrating the sample is calculated on the basis of optimized membrane characteristics, comprising its thickness and permeance, with optimization of temperature, and wherein the enrichment of trace impurities is proportional to the pressure ratio P.sub.hi/P.sub.lo and the volume ratio V.sub.1/V.sub.2, with following detection of the impurities using commonly-available detection methods.

Methods for the Calculation of Settling Tanks for Batch Experiments; METODOS DE CALCULO DE ESPESADORES POR ENSAYOS DISCONTINUOS

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

Gasos, P.; Perea, C.P.; Jodra, L.G.

1957-01-01

>In order to calculate settling tanks, some tests on batch sedimentation were made, and with the data obtained the dimensions of the settling tank were found. The mechanism of sedimentation is first briefly described, and then the factors involved in the calculation of the dimensions and the sedimentation velocity are discussed. The Cloe and Clevenger method and the Kynch method were investigated experimentally and compared. The application of the calculations are illustrated. It is shown that the two methods gave markedly different results. (J.S.R.)

Equilibrated moisture content of several carbon phenolics and their relationship to resin, fiber, and interface properties

NASA Technical Reports Server (NTRS)

Stokes, E. H.

1991-01-01

This study focuses on the relationship between relative humidity and the equilibrated moisture content of several variants of two distinctly different carbon phenolic composites. One of the materials gives a typical exponential relationship between RH and equilibrated moisture content while the second gives an inverse sigmoidal relationship with the largest increase in moisture between 45-60 percent relative humidity. The possible relationship between the shape of the curves and the nature of the material constituents is discussed.

Development of batch producible hot embossing 3D nanostructured surface-enhanced Raman scattering chip technology

NASA Astrophysics Data System (ADS)

Huang, Chu-Yu; Tsai, Ming-Shiuan

2017-09-01

The main purpose of this study is to develop a batch producible hot embossing 3D nanostructured surface-enhanced Raman chip technology for high sensitivity label-free plasticizer detection. This study utilizing the AAO self-assembled uniform nano-hemispherical array barrier layer as a template to create a durable nanostructured nickel mold. With the hot embossing technique and the durable nanostructured nickel mold, we are able to batch produce the 3D Nanostructured Surface-enhanced Raman Scattering Chip with consistent quality. In addition, because of our SERS chip can be fabricated by batch processing, the fabrication cost is low. Therefore, the developed method is very promising to be widespread and extensively used in rapid chemical and biomolecular detection applications.

[Polyphenolic composition of the leaf of bilberry].

PubMed

Fraisse, D; Carnat, A; Lamaison, J L

1996-01-01

Dried leaves of 14 harvested batches and one batch from commercial origine of Vaccinium myrtillus L present a similar polyphenolic pattern. The mean levels of the harvested batches and the levels of the commercial batch were respectively: total polyphenol compounds 12.98 and 10.62%, tannins 7.84 and 7.43%, total flavonoid compounds 2.98 and 2.20% (spectrophotometry), 1.41 and 1.16% (HPLC), quercetin 3-glucuronide 1.02 and 0.83%, hyperoside 0.22 and 0.16%, chlorogenic acid 3.66 and 1.58%. The levels were higher in young leaves and lower in old leaves. A specific chromatographic profile of the flavonoid compounds and a determination method of the tannin or the total polyphenol content were proposed in a standardization purpose.

Investigation of preparation techniques for δ2H analysis of keratin materials and a proposed analytical protocol

USGS Publications Warehouse

Qi, H.; Coplen, T.B.

2011-01-01

Accurate hydrogen isotopic measurements of keratin materials have been a challenge due to exchangeable hydrogen in the sample matrix and the paucity of appropriate isotopic reference materials for calibration. We found that the most reproducible δ2HVSMOW-SLAP and mole fraction of exchangeable hydrogen, x(H)ex, of keratin materials were measured with equilibration at ambient temperature using two desiccators and two different equilibration waters with two sets of the keratin materials for 6 days. Following equilibration, drying the keratin materials in a vacuum oven for 4 days at 60 °C was most critical. The δ2H analysis protocol also includes interspersing isotopic reference waters in silver tubes among samples in the carousel of a thermal conversion elemental analyzer (TC/EA) reduction unit. Using this analytical protocol, δ2HVSMOW-SLAP values of the non-exchangeable fractions of USGS42 and USGS43 human-hair isotopic reference materials were determined to be –78.5 ± 2.3 ‰ and –50.3 ± 2.8 ‰, respectively. The measured x(H)ex values of keratin materials analyzed with steam equilibration and N2 drying were substantially higher than those previously published, and dry N2 purging was unable to remove absorbed moisture completely, even with overnight purging. The δ2H values of keratin materials measured with steam equilibration were about 10 ‰ lower than values determined with equilibration in desiccators at ambient temperatures when on-line evacuation was used to dry samples. With steam equilibrations the x(H)ex of commercial keratin powder was as high as 28 %. Using human-hair isotopic reference materials to calibrate other keratin materials, such as hoof or horn, can introduce bias in δ2H measurements because the amount of absorbed water and the x(H)ex values may differ from those of unknown samples. Correct δ2HVSMOW-SLAP values of the non-exchangeable fractions of unknown human-hair samples can be determined with atmospheric moisture equilibration by normalizing with USGS42 and USGS43 human-hair reference materials when all materials have the same powder size.

Concrete Mixing Methods and Concrete Mixers: State of the Art

PubMed Central

Ferraris, Chiara F.

2001-01-01

As for all materials, the performance of concrete is determined by its microstructure. Its microstructure is determined by its composition, its curing conditions, and also by the mixing method and mixer conditions used to process the concrete. This paper gives an overview of the various types of mixing methods and concrete mixers commercially available used by the concrete industry. There are two main types of mixers used: batch mixers and continuous mixers. Batch mixers are the most common. To determine the mixing method best suited for a specific application, factors to be considered include: location of the construction site (distance from the batching plant), the amount of concrete needed, the construction schedule (volume of concrete needed per hour), and the cost. Ultimately, the quality of the concrete produced determines its performance after placement. An important measure of the quality is the homogeneity of the material after mixing. This paper will review mixing methods in regards to the quality of the concrete produced. Some procedures used to determine the effectiveness of the mixing will be examined. PMID:27500029

Elimination of the Reaction Rate "Scale Effect": Application of the Lagrangian Reactive Particle-Tracking Method to Simulate Mixing-Limited, Field-Scale Biodegradation at the Schoolcraft (MI, USA) Site

NASA Astrophysics Data System (ADS)

Ding, Dong; Benson, David A.; Fernández-Garcia, Daniel; Henri, Christopher V.; Hyndman, David W.; Phanikumar, Mantha S.; Bolster, Diogo

2017-12-01

Measured (or empirically fitted) reaction rates at groundwater remediation sites are typically much lower than those found in the same material at the batch or laboratory scale. The reduced rates are commonly attributed to poorer mixing at the larger scales. A variety of methods have been proposed to account for this scaling effect in reactive transport. In this study, we use the Lagrangian particle-tracking and reaction (PTR) method to simulate a field bioremediation experiment at the Schoolcraft, MI site. A denitrifying bacterium, Pseudomonas Stutzeri strain KC (KC), was injected to the aquifer, along with sufficient substrate, to degrade the contaminant, carbon tetrachloride (CT), under anaerobic conditions. The PTR method simulates chemical reactions through probabilistic rules of particle collisions, interactions, and transformations to address the scale effect (lower apparent reaction rates for each level of upscaling, from batch to column to field scale). In contrast to a prior Eulerian reaction model, the PTR method is able to match the field-scale experiment using the rate coefficients obtained from batch experiments.

Is whole-culture synchronization biology's 'perpetual-motion machine'?

PubMed

Cooper, Stephen

2004-06-01

Whole-culture or batch synchronization cannot, in theory, produce a synchronized culture because it violates a fundamental law that proposes that no batch treatment can alter the cell-age order of a culture. In analogy with the history of perpetual-motion machines, it is suggested that the study of these whole-culture 'synchronization' methods might lead to an understanding of general biological principles even though these methods cannot be used to study the normal cell cycle.

A Modified Edge Crack Torsion Test for Measurement of Mode III Fracture Toughness of Laminated Tape Composites

NASA Technical Reports Server (NTRS)

Czabaj, Michael W.; Davidson, Barry D.; Ratcliffe, James G.

2016-01-01

Modifications to the edge crack torsion (ECT) test are studied to improve the reliability of this test for measuring the mode-III fracture toughness, G (sub IIIc), of laminated tape fiber-reinforced polymeric (FRP) composites. First, the data reduction methods currently used in the ECT test are evaluated and deficiencies in their accuracy are discussed. An alternative data reduction technique, which uses a polynomial form to represent ECT specimen compliance solution, is evaluated and compared to FEA (finite element analysis) results. Second, seven batches of ECT specimens are tested, each batch containing specimens with a preimplanted midplane edge delamination and midplane plies with orientations of plus theta divided by minus theta, with theta ranging from 0 degrees to 90 degrees in 15-degree increments. Tests on these specimens show that intralaminar cracking occurs in specimens from all batches except for which theta = 15 degrees and 30 degrees. Tests on specimens of these two batches are shown to result in mode-III delamination growth at the intended ply interface. The findings from this study are encouraging steps towards the use of the ECT test as a standardized method for measuring G (sub IIIc), although further modification to the data reduction method is required to make it suitable for use as part of a standardized test method.

Boar Semen Studies

PubMed Central

King, G. J.; Macpherson, J. W.

1966-01-01

A successful method for low temperature preservation of bull semen was modified for use with boar semen. Observations were made on the effects of varying cooling rate, equilibration time, freezing rate, glycerol concentration, method of glycerol addition, packaging containers, extender pH and tonicity. Observations indicate that boar semen should be cooled and frozen at a slower rate than bull semen. Within the ranges or methods examined, the other factors had little effect on recovery of motility after freezing. PMID:4226548

Investigating catalyst coated membrane equilibration time for polymer electrolyte membrane fuel cell manufacturing

NASA Astrophysics Data System (ADS)

Cote, Philippe

Mercedes-Benz Canada Inc., Fuel Cell Division, manufactures polymer electrolyte membrane fuel cell stacks for use in vehicles. The manufacturing line is being optimized for efficiency and quality control, in order to uphold the high standards of Mercedes-Benz Inc. vehicles. In an operating polymer electrolyte membrane fuel cell, the catalyst coated membrane facilitates the electrochemical reaction that generates electricity. This research examines the equilibration of catalyst coated membrane rolls to controlled temperature and humidity conditions, before they are used in the manufacturing of polymer electrolyte membrane fuel cells. Equilibration involves allowing the water content in the catalyst coated membrane to stabilize at the controlled conditions, in order to reduce mechanical stress in the material for better manufacturability. Initial equilibration measurements were conducted on discrete catalyst coated membrane samples using novel electronic conductivity measurements of the catalyst layer, and compared to ionic conductivity measurements of the membrane. Electronic conductivity measurements are easier to implement in the manufacturing environment than the more complex ionic conductivity measurements. When testing discrete catalyst coated membrane samples in an environmental chamber, the equilibration trends for the measured ionic and electronic conductivity signals were similar enough to permit us to adapt the electronic conductivity measurements for catalyst coated membrane in roll form. Equilibration measurements of catalyst coated membrane rolls were optimized to achieve a robust and repeatable procedure which could be used in the manufacturing environment at Mercedes-Benz Canada Inc., Fuel Cell Division.

Comparison of chemiluminescence methods for analysis of hydrogen peroxide and hydroxyl radicals

NASA Astrophysics Data System (ADS)

Pehrman, R.; Amme, M.; Cachoir, C.

2006-01-01

Assessment of alpha radiolysis influence on the chemistry of geologically disposed spent fuel demands analytical methods for radiolytic product determination at trace levels. Several chemiluminescence methods for the detection of radiolytic oxidants hydrogen peroxide and hydroxyl radicals are tested. Two of hydrogen peroxide methods use luminol, catalyzed by either μ-peroxidase or hemin, one uses 10-methyl-9-(p-formylphenyl)-acridinium carboxylate trifluoromethanesulfonate and one potassium periodate. All recipes are tested as batch systems in basic conditions. For hydroxyl radical detection luminophores selected are 3-hydroxyphthalic hydrazide and rutin. Both methods are tested as batch systems. The results are compared and the applicability of the methods for near-field dissolution studies is discussed.

Project Planning and Reporting

NASA Technical Reports Server (NTRS)

1982-01-01

Project Planning Analysis and Reporting System (PPARS) is automated aid in monitoring and scheduling of activities within project. PPARS system consists of PPARS Batch Program, five preprocessor programs, and two post-processor programs. PPARS Batch program is full CPM (Critical Path Method) scheduling program with resource capabilities. Can process networks with up to 10,000 activities.

40 CFR 63.1323 - Batch process vents-methods and procedures for group determination.

Code of Federal Regulations, 2014 CFR

2014-07-01

... accepted chemical engineering principles, measurable process parameters, or physical or chemical laws or... paragraph (b)(5) of this section. Engineering assessment may be used to estimate emissions from a batch... defined in paragraph (b)(5) of this section, through engineering assessment, as defined in paragraph (b)(6...

40 CFR 63.1323 - Batch process vents-methods and procedures for group determination.

Code of Federal Regulations, 2011 CFR

2011-07-01

... accepted chemical engineering principles, measurable process parameters, or physical or chemical laws or... paragraph (b)(5) of this section. Engineering assessment may be used to estimate emissions from a batch... defined in paragraph (b)(5) of this section, through engineering assessment, as defined in paragraph (b)(6...

40 CFR 63.1323 - Batch process vents-methods and procedures for group determination.

Code of Federal Regulations, 2013 CFR

2013-07-01

... accepted chemical engineering principles, measurable process parameters, or physical or chemical laws or... paragraph (b)(5) of this section. Engineering assessment may be used to estimate emissions from a batch... defined in paragraph (b)(5) of this section, through engineering assessment, as defined in paragraph (b)(6...

40 CFR 63.1323 - Batch process vents-methods and procedures for group determination.

Code of Federal Regulations, 2012 CFR

2012-07-01

... accepted chemical engineering principles, measurable process parameters, or physical or chemical laws or... paragraph (b)(5) of this section. Engineering assessment may be used to estimate emissions from a batch... defined in paragraph (b)(5) of this section, through engineering assessment, as defined in paragraph (b)(6...

Evaluation of Students' Perceptions Towards An Innovative Teaching-Learning Method During Pharmacology Revision Classes: Autobiography of Drugs.

PubMed

Joshi, Anuradha; Ganjiwale, Jaishree

2015-07-01

Various studies in medical education have shown that active learning strategies should be incorporated into the teaching-learning process to make learning more effective, efficient and meaningful. The aim of this study was to evaluate student's perceptions on an innovative revision method conducted in Pharmacology i.e. in form of Autobiography of Drugs. The main objective of study was to help students revise the core topics in Pharmacology in an interesting way. Questionnaire based survey on a newer method of pharmacology revision in two batches of second year MBBS students of a tertiary care teaching medical college. Various sessions on Autobiography of Drugs were conducted amongst two batches of second year MBBS students, during their Pharmacology revision classes. Student's perceptions were documented with the help of a five point likert scale through a questionnaire regarding quality, content and usefulness of this method. Descriptive analysis. Students of both the batches appreciated the innovative method taken up for revision. The median scores in most of the domains in both batches were four out of five, indicative of good response. Feedback from open-ended questions also revealed that the innovative module on "Autobiography of Drugs" was taken as a positive learning experience by students. Autobiography of drugs has been used to help students recall topics that they have learnt through other teachings methods. Autobiography sessions in Pharmacology during revision slots, can be one of the interesting ways in helping students revise and recall topics which have already been taught in theory classes.

High-throughput continuous flow synthesis of nickel nanoparticles for the catalytic hydrodeoxygenation of guaiacol

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

Roberts, Emily J.; Habas, Susan E.; Wang, Lu

2016-11-07

The translation of batch chemistries to high-throughput continuous flow methods dresses scaling, automation, and reproducibility concerns associated with the implementation of colloidally prepared nanoparticle (NP) catalysts for industrial catalytic processes. Nickel NPs were synthesized by the high-temperature amine reduction of a Ni2+ precursor using a continuous millifluidic (mF) flow method, achieving yields greater than 60%. The resulting Ni NP catalysts were compared against catalysts prepared in a batch reaction under conditions analogous to the continuous flow conditions with respect to total reaction volume, time, and temperature and by traditional incipient wetness (IW) impregnation for the hydrodeoxygenation (HDO) of guaiacol undermore » ex situ catalytic fast pyrolysis conditions. Compared to the IW method, the colloidally prepared NPs displayed increased morphological control and narrowed size distributions, and the NPs prepared by both methods showed similar size, shape, and crystallinity. The Ni NP catalyst synthesized by the continuous flow method exhibited similar H-adsorption site densities, site-time yields, and selectivities towards deoxygenated products as compared to the analogous batch reaction, and outperformed the IW catalyst with respect to higher selectivity to lower oxygen content products and a 6.9-fold slower deactivation rate. These results demonstrate the utility of synthesizing colloidal Ni NP catalysts using continuous flow methods while maintaining the catalytic properties displayed by the batch equivalent. Finally, this methodology can be extended to other catalytically relevant base metals for the high-throughput synthesis of metal NPs for the catalytic production of biofuels.« less

Batch crystallization of rhodopsin for structural dynamics using an X-ray free-electron laser

DOE PAGES

Wu, Wenting; Nogly, Przemyslaw; Rheinberger, Jan; ...

2015-06-27

Rhodopsin is a membrane protein from the G protein-coupled receptor family. Together with its ligand retinal, it forms the visual pigment responsible for night vision. In order to perform ultrafast dynamics studies, a time-resolved serial femtosecond crystallography method is required owing to the nonreversible activation of rhodopsin. In such an approach, microcrystals in suspension are delivered into the X-ray pulses of an X-ray free-electron laser (XFEL) after a precise photoactivation delay. Here in this study, a millilitre batch production of high-density microcrystals was developed by four methodical conversion steps starting from known vapour-diffusion crystallization protocols: (i) screening the low-salt crystallizationmore » conditions preferred for serial crystallography by vapour diffusion, (ii) optimization of batch crystallization, (iii) testing the crystal size and quality using second-harmonic generation (SHG) imaging and X-ray powder diffraction and (iv) production of millilitres of rhodopsin crystal suspension in batches for serial crystallography tests; these crystals diffracted at an XFEL at the Linac Coherent Light Source using a liquid-jet setup.« less

Automatic flow-batch system for cold vapor atomic absorption spectroscopy determination of mercury in honey from Argentina using online sample treatment.

PubMed

Domínguez, Marina A; Grünhut, Marcos; Pistonesi, Marcelo F; Di Nezio, María S; Centurión, María E

2012-05-16

An automatic flow-batch system that includes two borosilicate glass chambers to perform sample digestion and cold vapor atomic absorption spectroscopy determination of mercury in honey samples was designed. The sample digestion was performed by using a low-cost halogen lamp to obtain the optimum temperature. Optimization of the digestion procedure was done using a Box-Behnken experimental design. A linear response was observed from 2.30 to 11.20 μg Hg L(-1). The relative standard deviation was 3.20% (n = 11, 6.81 μg Hg L(-1)), the sample throughput was 4 sample h(-1), and the detection limit was 0.68 μg Hg L(-1). The obtained results with the flow-batch method are in good agreement with those obtained with the reference method. The flow-batch system is simple, allows the use of both chambers simultaneously, is seen as a promising methodology for achieving green chemistry goals, and is a good proposal to improving the quality control of honey.

Finite Element A Posteriori Error Estimation for Heat Conduction. Degree awarded by George Washington Univ.

NASA Technical Reports Server (NTRS)

Lang, Christapher G.; Bey, Kim S. (Technical Monitor)

2002-01-01

This research investigates residual-based a posteriori error estimates for finite element approximations of heat conduction in single-layer and multi-layered materials. The finite element approximation, based upon hierarchical modelling combined with p-version finite elements, is described with specific application to a two-dimensional, steady state, heat-conduction problem. Element error indicators are determined by solving an element equation for the error with the element residual as a source, and a global error estimate in the energy norm is computed by collecting the element contributions. Numerical results of the performance of the error estimate are presented by comparisons to the actual error. Two methods are discussed and compared for approximating the element boundary flux. The equilibrated flux method provides more accurate results for estimating the error than the average flux method. The error estimation is applied to multi-layered materials with a modification to the equilibrated flux method to approximate the discontinuous flux along a boundary at the material interfaces. A directional error indicator is developed which distinguishes between the hierarchical modeling error and the finite element error. Numerical results are presented for single-layered materials which show that the directional indicators accurately determine which contribution to the total error dominates.

Electron storage in single wall carbon nanotubes. Fermi level equilibration in semiconductor-SWCNT suspensions.

PubMed

Kongkanand, Anusorn; Kamat, Prashant V

2007-08-01

The use of single wall carbon nanotubes (SWCNTs) as conduits for transporting electrons in a photoelectrochemical solar cell and electronic devices requires better understanding of their electron-accepting properties. When in contact with photoirradiated TiO(2) nanoparticles, SWCNTs accept and store electrons. The Fermi level equilibration with photoirradiated TiO(2) particles indicates storage of up to 1 electron per 32 carbon atoms in the SWCNT. The stored electrons are readily discharged on demand upon addition of electron acceptors such as thiazine and oxazine dyes (reduction potential less negative than that of the SWCNT conduction band) to the TiO(2)-SWCNT suspension. The stepwise electron transfer from photoirradiated TiO(2) nanoparticles --> SWCNT --> redox couple has enabled us to probe the electron equilibration process and determine the apparent Fermi level of the TiO(2)-SWCNT system. A positive shift in apparent Fermi level (20-30 mV) indicates the ability of SWCNTs to undergo charge equilibration with photoirradiated TiO(2) particles. The dependence of discharge capacity on the reduction potential of the dye redox couple is compared for TiO(2) and TiO(2)-SWCNT systems under equilibration conditions.

Mobility of as, Cu, Cr, and Zn from tailings covered with sealing materials using alkaline industrial residues: a comparison between two leaching methods.

PubMed

Jia, Yu; Maurice, Christian; Öhlander, Björn

2016-01-01

Different alkaline residue materials (fly ash, green liquor dregs, and lime mud) generated from the pulp and paper industry as sealing materials were evaluated to cover aged mine waste tailings (<1% sulfur content, primarily pyrite). The mobility of four selected trace elements (Cr, Cu, Zn, and As) was compared based on batch and column leaching studies to assess the effectiveness of these alkaline materials as sealing agents. Based on the leaching results, Cr, Cu, and Zn were immobilized by the alkaline amendments. In the amended tailings in the batch system only As dramatically exceeded the limit values at L/S 10 L/kg. The leaching results showed similar patterns to the batch results, though leached Cr, Cu, and Zn showed higher levels in the column tests than in the batch tests. However, when the columns were compared with the batches, the trend for Cu was opposite for the unamended tailings. By contrast, both batch and column results showed that the amendment caused mobilization of As compared with the unamended tailings in the ash-amended tailings. The amount of As released was greatest in the ash column and decreased from the dregs to the lime columns. The leaching of As at high levels can be a potential problem whenever alkaline materials (especially for fly ash) are used as sealing materials over tailings. The column test was considered by the authors to be a more informative method in remediation of the aged tailings with low sulfur content, since it mimics better actual situation in a field.

Extraction of valuable compounds from mangosteen pericarps by hydrothermal assisted sonication

NASA Astrophysics Data System (ADS)

Machmudah, Siti; Lestari, Sarah Duta; Shiddiqi, Qifni Yasa'Ash; Widiyastuti, Winardi, Sugeng; Wahyudiono, Kanda, Hideki; Goto, Motonobu

2015-12-01

Valuable compounds, such as xanthone and phenolic compounds, from mangosteen pericarps was extracted by hydrothermal treatment at temperatures of 120-160 °C and pressures of 5 MPa using batch and semi-batch extractor. This method is a simple and environmentally friendly extraction method requiring no chemicals other than water. Under these conditions, there is possibility for the formation of phenolic compounds from mangosteen pericarps from decomposition of bounds between lignin, cellulose, and hemicellulose via autohydrolysis. In order to increase the amount of extracted valuable compounds, sonication pre-treament was performed prior to the hydrothermal extraction process. 30 min of sonication pre-treatment could increase significantly the amount of xanthone and phenolic compounds mangosteen pericarps extraction. In batch-system, the xanthone recovery approach to 100 % at 160 °C with 30 min sonication pre-treatment for 150 min extraction time. Under semi-batch process, the total phenolic compounds in the extract was 217 mg/g sample at 160 °C with 30 min sonication pre-treatment for 150 min total extraction time. The results revealed that hydrothermal extraction assisted sonication pre-treatment is applicable method for the isolation of polyphenolic compounds from other types of biomass and may lead to an advanced plant biomass components extraction technology.

Conjugated Polymers Via Direct Arylation Polymerization in Continuous Flow: Minimizing the Cost and Batch-to-Batch Variations for High-Throughput Energy Conversion.

PubMed

Gobalasingham, Nemal S; Carlé, Jon E; Krebs, Frederik C; Thompson, Barry C; Bundgaard, Eva; Helgesen, Martin

2017-11-01

Continuous flow methods are utilized in conjunction with direct arylation polymerization (DArP) for the scaled synthesis of the roll-to-roll compatible polymer, poly[(2,5-bis(2-hexyldecyloxy)phenylene)-alt-(4,7-di(thiophen-2-yl)-benzo[c][1,2,5]thiadiazole)] (PPDTBT). PPDTBT is based on simple, inexpensive, and scalable monomers using thienyl-flanked benzothiadiazole as the acceptor, which is the first β-unprotected substrate to be used in continuous flow via DArP, enabling critical evaluation of the suitability of this emerging synthetic method for minimizing defects and for the scaled synthesis of high-performance materials. To demonstrate the usefulness of the method, DArP-prepared PPDTBT via continuous flow synthesis is employed for the preparation of indium tin oxide (ITO)-free and flexible roll-coated solar cells to achieve a power conversion efficiency of 3.5% for 1 cm 2 devices, which is comparable to the performance of PPDTBT polymerized through Stille cross coupling. These efforts demonstrate the distinct advantages of the continuous flow protocol with DArP avoiding use of toxic tin chemicals, reducing the associated costs of polymer upscaling, and minimizing batch-to-batch variations for high-quality material. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Predicting critical micelle concentration and micelle molecular weight of polysorbate 80 using compendial methods.

PubMed

Braun, Alexandra C; Ilko, David; Merget, Benjamin; Gieseler, Henning; Germershaus, Oliver; Holzgrabe, Ulrike; Meinel, Lorenz

2015-08-01

This manuscript addresses the capability of compendial methods in controlling polysorbate 80 (PS80) functionality. Based on the analysis of sixteen batches, functionality related characteristics (FRC) including critical micelle concentration (CMC), cloud point, hydrophilic-lipophilic balance (HLB) value and micelle molecular weight were correlated to chemical composition including fatty acids before and after hydrolysis, content of non-esterified polyethylene glycols and sorbitan polyethoxylates, sorbitan- and isosorbide polyethoxylate fatty acid mono- and diesters, polyoxyethylene diesters, and peroxide values. Batches from some suppliers had a high variability in functionality related characteristic (FRC), questioning the ability of the current monograph in controlling these. Interestingly, the combined use of the input parameters oleic acid content and peroxide value - both of which being monographed methods - resulted in a model adequately predicting CMC. Confining the batches to those complying with specifications for peroxide value proved oleic acid content alone as being predictive for CMC. Similarly, a four parameter model based on chemical analyses alone was instrumental in predicting the molecular weight of PS80 micelles. Improved models based on analytical outcome from fingerprint analyses are also presented. A road map controlling PS80 batches with respect to FRC and based on chemical analyses alone is provided for the formulator. Copyright © 2014 Elsevier B.V. All rights reserved.

Testing charm quark equilibration in ultrahigh-energy heavy ion collisions with fluctuations

NASA Astrophysics Data System (ADS)

Graf, Thorben; Steinheimer, Jan; Bleicher, Marcus; Herold, Christoph

2018-03-01

Recent lattice QCD data on higher order susceptibilities of charm quarks provide the opportunity to explore charm quark equilibration in the early quark gluon plasma (QGP) phase. Here, we propose to use the lattice data on second- and fourth-order net charm susceptibilities to infer the charm quark equilibration temperature and the corresponding volume, in the early QGP stage, via a combined analysis of experimentally measured multiplicity fluctuations. Furthermore, the first perturbative results for the second- and fourth-order charm quark susceptibilities and their ratio are presented.

Petrology of Two Itokawa Particles: Comparison with Equilibrated LL Chondrites

NASA Technical Reports Server (NTRS)

Komatsu, M.; Mikouchi, T.; Arai, T.; Fagan, T. J.; Zolensky, M.; Hagiya, K.; Ohsumi, K.; Karouji, Y.

2015-01-01

A strong link between Itokawa particles and LL chondrites was confirmed by preliminary examinations of Hayabusa particles [e.g., 1, 2]. Both poorly equilibrated and highly equilibrated particles have been found among the grains returned from Itokawa [1], and it is suggested that they correspond to LL4 and LL5-6, respectively. Here we report the petrography of two Itokawa particles and TEM study of one, and compare them to Antarctic LL chondrites with variable petrologic types (LL4-LL7) in order to understand the metamorphic history of asteroid Itokawa.

Detection of Legume Protease Inhibitors by the Gel-X-ray Film Contact Print Technique

ERIC Educational Resources Information Center

Mulimani, Veerappa H.; Sudheendra, Kulkarni; Giri, Ashok P.

2002-01-01

Redgram (Cajanus cajan L.) extracts have been analyzed for the protease inhibitors using a new, sensitive, simple, and rapid method for detection of electrophoretically separated protease inhibitors. The detection involves equilibrating the gel successively in the protease assay buffer and protease solution, rinsing the gel in assay buffer, and…

The Role of Internal Standards and their Interaction with Soils Impact Accuracy of Volatile Organics Determinations

EPA Science Inventory

Both US Environmental Protection Agency (EPA) SW-846 Methods 8260C/5035 and 8261A include mixing soil with water and addition of internal standards prior to analyses but the equilibration of internal standards with the soil is not required. With increasing total organic carbon (...

Pore water sampling in acid sulfate soils: a new peeper method.

PubMed

Johnston, Scott G; Burton, Edward D; Keene, Annabelle F; Bush, Richard T; Sullivan, Leigh A; Isaacson, Lloyd

2009-01-01

This study describes the design, deployment, and application of a modified equilibration dialysis device (peeper) optimized for sampling pore waters in acid sulfate soils (ASS). The modified design overcomes the limitations of traditional-style peepers, when sampling firm ASS materials over relatively large depth intervals. The new peeper device uses removable, individual cells of 25 mL volume housed in a 1.5 m long rigid, high-density polyethylene rod. The rigid housing structure allows the device to be inserted directly into relatively firm soils without requiring a supporting frame. The use of removable cells eliminates the need for a large glove-box after peeper retrieval, thus simplifying physical handling. Removable cells are easily maintained in an inert atmosphere during sample processing and the 25-mL sample volume is sufficient for undertaking multiple analyses. A field evaluation of equilibration times indicates that 32 to 38 d of deployment was necessary. Overall, the modified method is simple and effective and well suited to acquisition and processing of redox-sensitive pore water profiles>1 m deep in acid sulfate soil or any other firm wetland soils.

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

Kalugin, A. V., E-mail: Kalugin-AV@nrcki.ru; Tebin, V. V.

The specific features of calculation of the effective multiplication factor using the Monte Carlo method for weakly coupled and non-asymptotic multiplying systems are discussed. Particular examples are considered and practical recommendations on detection and Monte Carlo calculation of systems typical in numerical substantiation of nuclear safety for VVER fuel management problems are given. In particular, the problems of the choice of parameters for the batch mode and the method for normalization of the neutron batch, as well as finding and interpretation of the eigenvalue spectrum for the integral fission matrix, are discussed.

Evaluation of Students’ Perceptions Towards An Innovative Teaching-Learning Method During Pharmacology Revision Classes: Autobiography of Drugs

PubMed Central

Ganjiwale, Jaishree

2015-01-01

Introduction Various studies in medical education have shown that active learning strategies should be incorporated into the teaching–learning process to make learning more effective, efficient and meaningful. Objectives The aim of this study was to evaluate student’s perceptions on an innovative revision method conducted in Pharmacology i.e. in form of Autobiography of Drugs. The main objective of study was to help students revise the core topics in Pharmacology in an interesting way. Settings and Design Questionnaire based survey on a newer method of pharmacology revision in two batches of second year MBBS students of a tertiary care teaching medical college. Materials and Methods Various sessions on Autobiography of Drugs were conducted amongst two batches of second year MBBS students, during their Pharmacology revision classes. Student’s perceptions were documented with the help of a five point likert scale through a questionnaire regarding quality, content and usefulness of this method. Statistical analysis used Descriptive analysis. Results Students of both the batches appreciated the innovative method taken up for revision. The median scores in most of the domains in both batches were four out of five, indicative of good response. Feedback from open-ended questions also revealed that the innovative module on “Autobiography of Drugs” was taken as a positive learning experience by students. Conclusions Autobiography of drugs has been used to help students recall topics that they have learnt through other teachings methods. Autobiography sessions in Pharmacology during revision slots, can be one of the interesting ways in helping students revise and recall topics which have already been taught in theory classes. PMID:26393138

eQuilibrator--the biochemical thermodynamics calculator.

PubMed

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

eQuilibrator—the biochemical thermodynamics calculator

PubMed Central

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

Achieving swift equilibration of a Brownian particle using flow-fields

NASA Astrophysics Data System (ADS)

Patra, Ayoti; Jarzynski, Christopher

Can a system be driven to a targeted equilibrium state on a timescale that is much shorter than its natural equilibration time? In a recent experiment, the swift equilibration of an overdamped Brownian particle was achieved by use of an appropriately designed, time-dependent optical trap potential. Motivated by these results, we develop a general theoretical approach for guiding an ensemble of Brownian particles to track the instantaneous equilibrium distribution of a desired potential U (q , t) . In our approach, we use flow-fields associated with the parametric evolution of the targeted equilibrium state to construct an auxiliary potential U (q , t) , such that dynamics under the composite potential U (t) + U (t) achieves the desired evolution. Our results establish a close connection between the swift equilibration of Brownian particles, quantum shortcuts to adiabaticity, and the dissipationless driving of a classical, Hamiltonian system.

Removal and attenuation of sewage effluent combined tracer signals of phosphorus, caffeine and saccharin in soil.

PubMed

Richards, Samia; Withers, Paul J A; Paterson, Eric; McRoberts, Colin W; Stutter, Marc

2017-04-01

Contaminants in septic tank effluent (STE) are expected to be removed by the soil system before discharging to the environment. However, potential contaminants such as phosphorus (P), caffeine and artificial sweeteners do find their way to watercourses impacting aquatic eco systems. In this study, the attenuation of STE P, caffeine and saccharin were investigated in untreated soil and in soil with reduced microbial activity, in aqueous solutions and in the complex matrix of STE. Time series sorption and desorption experiments using batch equilibrium and a column experiment of STE P attenuation were conducted. The results revealed that the soil distribution coefficients (K d ) were: P 81.57 > caffeine 22.16 > saccharin 5.98 cm 3 /g, suggesting greater soil affinity to P adsorption. The data revealed that 80% of saccharin and 33% of caffeine attenuation was associated with microbial activities rather than adsorption processes. However, a complete removal of saccharin and caffeine did not occur during the equilibration period, suggesting their leaching potential. The dominant mechanism of P attenuation was adsorption (chemical and physical), yielding P retention of >73% and 35% for P in aqueous solution and in STE matrix, respectively, for batch equilibrium. The soil in the column acted as effluent P sink retaining 125 μg P/g soil of effluent P. The attenuation of P, caffeine and saccharin in the aqueous solution was greater than in STE, suggesting that the complex composition of STE reduced soil adsorption ability, and that other substances present in STE may be competing for soil binding sites. The data revealed that caffeine and P had similarities in the interaction with soils and thus caffeine may be considered as a STE tracer of anthropogenic source of P in receiving waters. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sorption-desorption of cadmium in aqueous palygorskite, sepiolite, and calcite suspensions: isotherm hysteresis.

PubMed

Shirvani, Mehran; Kalbasi, Mahmoud; Shariatmadari, Hosein; Nourbakhsh, Farshid; Najafi, Bijan

2006-12-01

Sorption isotherms have been widely used to assess the heavy metal retention characteristics of soil particles. Desorption behavior of the retained metals, however, usually differ from that of sorption, leading to a lack of coincidence in the experimentally obtained sorption and desorption isotherms. In this study, we examine the nonsingularity of cadmium (Cd) sorption-desorption isotherms, to check the possible hysteresis and reversibility phenomena, in aqueous palygorskite, sepiolite and calcite systems. Sorption of Cd was carried out using a 24-h batch equilibration experiment with eight different Cd solution concentrations, equivalent to 20-100% of maximum sorption capacity of each mineral. Immediately after sorption, desorption took place using successive dilution method with five consecutive desorption steps. Both Cd sorption and desorption data were adequately described by Freundlich equation (0.81

Partitioning of fluorotelomer alcohols to octanol and different sources of dissolved organic carbon.

PubMed

Carmosini, Nadia; Lee, Linda S

2008-09-01

Interest in the environmental fate of fluorotelomer alcohols (FTOHs) has spurred efforts to understand their equilibrium partitioning behavior. Experimentally determined partition coefficients for FTOHs between soil/water and air/water have been reported, but direct measurements of partition coefficients for dissolved organic carbon (DOC)/water (K(doc)) and octanol/ water(K(ow)) have been lacking. Here we measured the partitioning of 8:2 and 6:2 FTOH between one or more types of DOC and water using enhanced solubility or dialysis bag techniques, and also quantified K(ow) values for 4:2 to 8:2 FTOH using a batch equilibration method. The range in measured log K(doc) values for 8:2 FTOH using the enhanced solubility technique with DOC derived from two soils, two biosolids, and three reference humic acids is 2.00-3.97 with the lowest values obtained for the biosolids and an average across all other DOC sources (biosolid DOC excluded) of 3.54 +/- 0.29. For 6:2 FTOH and Aldrich humic acid, a log K(doc) value of 1.96 +/- 0.45 was measured using the dialysis technique. These average values are approximately 1 to 2 log units lower than previously indirectly estimated K(doc) values. Overall, the affinity for DOC tends to be slightly lower than that for particulate soil organic carbon. Measured log K(ow) values for 4:2 (3.30 +/- 0.04), 6:2 (4.54 +/- 0.01), and 8:2 FTOH (5.58 +/- 0.06) were in good agreement with previously reported estimates. Using relationships between experimentally measured partition coefficients and C-atom chain length, we estimated K(doc) and K(ow) values for shorter and longer chain FTOHs, respectively, that we were unable to measure experimentally.

Estimation of the Maximum Theoretical Productivity of Fed-Batch Bioreactors

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

Bomble, Yannick J; St. John, Peter C; Crowley, Michael F

2017-10-18

A key step towards the development of an integrated biorefinery is the screening of economically viable processes, which depends sharply on the yields and productivities that can be achieved by an engineered microorganism. In this study, we extend an earlier method which used dynamic optimization to find the maximum theoretical productivity of batch cultures to explicitly include fed-batch bioreactors. In addition to optimizing the intracellular distribution of metabolites between cell growth and product formation, we calculate the optimal control trajectory of feed rate versus time. We further analyze how sensitive the productivity is to substrate uptake and growth parameters.

Collaborative study for the establishment of the WHO 3(rd) International Standard for Endotoxin, the Ph. Eur. endotoxin biological reference preparation batch 5 and the USP Reference Standard for Endotoxin Lot H0K354.

PubMed

Findlay, L; Desai, T; Heath, A; Poole, S; Crivellone, M; Hauck, W; Ambrose, M; Morris, T; Daas, A; Rautmann, G; Buchheit, K H; Spieser, J M; Terao, E

2015-01-01

An international collaborative study was organised jointly by the World Health Organization (WHO)/National Institute for Biological Standards and Control (NIBSC), the United States Pharmacopeia (USP) and the European Directorate for the Quality of Medicines & HealthCare (EDQM/Council of Europe) for the establishment of harmonised replacement endotoxin standards for these 3 organisations. Thirty-five laboratories worldwide, including Official Medicines Control Laboratories (OMCLs) and manufacturers enrolled in the study. Three candidate preparations (10/178, 10/190 and 10/196) were produced with the same material and same formulation as the current reference standards with the objective of generating a new (3(rd)) International Standard (IS) with the same potency (10 000 IU/vial) as the current (2(nd)) IS, as well as new European Pharmacopoeia (Ph. Eur.). and USP standards. The suitability of the candidate preparations to act as the reference standard in assays for endotoxin performed according to compendial methods was evaluated. Their potency was calibrated against the WHO 2(nd) IS for Endotoxin (94/580). Gelation and photometric methods produced similar results for each of the candidate preparations. The overall potency estimates for the 3 batches were comparable. Given the intrinsic assay precision, the observed differences between the batches may be considered unimportant for the intended use of these materials. Overall, these results were in line with those generated for the establishment of the current preparations of reference standards. Accelerated degradation testing of vials stored at elevated temperatures supported the long-term stability of the 3 candidate preparations. It was agreed between the 3 organisations that batch 10/178 be shared between WHO and EDQM and that batches 10/190 and 10/196 be allocated to USP, with a common assigned value of 10 000 IU/vial. This value maintains the continuity of the global harmonisation of reference materials and unitage for the testing of endotoxins in parenteral pharmaceutical products. Based on the results of the collaborative study, batch 10/178 was established by the European Pharmacopoeia Commission as the Ph. Eur. Endotoxin Biological Reference Preparation (BRP) batch 5. The same batch was also established by the Expert Committee on Biological Standardisation (ECBS) of WHO as the WHO 3(rd) IS for Endotoxin. Batch 10/190 was adopted as the USP Endotoxin Reference Standard, lot H0K354 and vials from this same batch (10/190) will serve as the United States Food and Drug Administration (USFDA) Endotoxin Standard, EC-7.

Clinical efficacy and health implications of inconsistency in different production batches of antimycotic drugs in a developing country.

PubMed

Ogunshe, Adenike A O; Adepoju, Adedayo A; Oladimeji, Modupe E

2011-01-01

This study aimed at evaluating the in vitro efficacy and health implications of inconsistencies in different production batches of antimycotic drugs. in vitro susceptibility profiles of 36 Candida spp. - C. albicans (19.4%), C. glabrata (30.6%), C. tropicalis (33.3%), and C. pseudotropicalis (16.7%) - obtained from human endocervical and high vaginal swabs (ECS/HVS) to two different batches (B1 and B2) of six antimycotic drugs (clotrimazole, doxycycline, iconazole, itraconazole, metronidazole and nystatin) was determined using modified agar well-diffusion method. None of the Candida strains had entirely the same (100%) susceptibility / resistance profiles in both batches of corresponding antimycotic drugs; while, different multiple antifungal susceptibility (MAS) rates were also recorded in batches 1 and 2 for corresponding antifungals. Only 14.3%, 27.3%, 16.7-33.3%, and 8.3-25.0% of C. albicans, C. glabrata, C. pseudotropicalis, and C. tropicalis strains, respectively, had similar susceptibility/resistance profiles toward coressponding antifungal agents in both batches; while up to 57.1% of C. albicans, 45.5% of C. glabrata, 66.7% of C. pseudotropicalis, and 50.0% of C. tropicalis strains were susceptible to one batch of antifungals but resistant to corresponding antifungals in the second batch. As high as 71.4% (C. albicans), 73.0% (C. glabrata), 50.0% (C. pseudotropicalis), and 66.74% (C. tropicalis) strains had differences of ≥ 10.0 mm among corresponding antimycotic agents. Candida strains exhibited different in vitro susceptibility / resistance patterns toward two batches of corresponding antimycotic agents, which has clinical implications on the efficacy of the drugs and treatment of patients. The findings of the present study will be of benefit in providing additional information in support of submission of drugs for registration to appropriate regulatory agencies.

Rapid freezing without cooling equilibration in canine sperm.

PubMed

Kim, Suhee; Lee, Yongcheol; Yang, Honghyun; Kim, Yong-Jun

2012-01-01

The aim of this study was to develop a rapid method of canine semen freezing without cooling equilibration using treatment with different cryoprotectant agents (CPAs) and freezing in liquid nitrogen (LN(2)) vapor in a 0.5-mL straw via modifying vitrification. Ejaculates from eight beagle dogs were frozen with different CPAs (CPA-free, 5% glycerol, 5% ethylene glycol, and 10% ethylene glycol) and freezing times (direct plunging into LN(2) or freezing for 1, 2, 3, or 10 min in LN(2) vapor before plunging into LN(2)). Frozen-thawed sperm were evaluated for motility, viability, normal morphology, and plasma- and acrosome-membrane integrities. The 5% glycerol treatment resulted in improved sperm motility, plasma-membrane integrity and acrosome-membrane integrity (P<0.05). Freezing in LN(2) vapor showed improved sperm motility, viability, and plasma membrane integrity (P<0.05), and freezing for more than 2 min in LN(2) vapor increased acrosome-membrane integrity compared with direct plunging into LN(2) (P<0.05). The direct plunging into LN(2) showed no motile sperm. However, freezing for more than 2 min in LN(2) vapor increased the total abnormalities compared to direct plunging into LN(2) (P<0.05). In conclusion, use of 5% glycerol and freezing in LN(2) vapor were essential for the rapid freezing of canine sperm without cooling equilibration. In particular, holding for 2 min in LN(2) vapor was sufficient to yield successful rapid freezing. This rapid freezing method is simple and effective in canine sperm and would be helpful to offer information for trial of vitrification in large volumes of canine sperm. Copyright © 2012 Elsevier B.V. All rights reserved.

Improvement of common carp (Cyprinus carpio) sperm cryopreservation using a programable freezer.

PubMed

Bernáth, Gergely; Żarski, Daniel; Kása, Eszter; Staszny, Ádám; Várkonyi, Levente; Kollár, Tímea; Hegyi, Árpád; Bokor, Zoltán; Urbányi, Béla; Horváth, Ákos

2016-10-01

The applicability of a programmable freezer for the increased-scale cryopreservation of common carp sperm was investigated. The effect of different equilibration times, cryopreservation methods, extenders, dilution ratios, activating solutions on the post-thaw motility of common carp sperm was investigated. The suitable post-thaw storage time-interval as well as fertilizing capacity of cryopreserved sperm was also examined. The motility, curvilinear velocity (VCL) and straightness (STR) values did not decrease significantly during 60min of equilibration neither in equilibrated nor thawed groups. Motility parameters of thawed sperm were similar using a conventional cryopreservation technique using a polystyrene box [motility (33%), VCL (47μm/s) and STR (88%)] and a programmable freezer: [motility (32%), VCL (54μm/s) and STR (89%)]. The highest motility and VCL was measured with a sugar based extender (grayling extender) at a ratio 1:9 (motility: 52%, VCL: 76μm/s) and 1:20 (motility: 49%, VCL: 76μm/s). The activating solution for cyprinids (ASC) could prolong sperm movement up for 2min. A storage time of six hours following thawing did not have a significant effect on the motility parameters of thawed carp sperm. Agglutination was observed during cryopreservation of an elevated volume of sperm whereas motility 47%, VCL 62μm/s and STR 91% were measured after thawing. Fertilization rate with thawed sperm (32%) was significantly lower compared to the control group (73%). According to our results, the developed method using a programmable freezer is suitable for the cryopreservation of elevated number of straws. However, carp sperm agglutination during freezing may have a negative effect on the fertilizing capacity. Copyright © 2016 Elsevier Inc. All rights reserved.

Evaluation of TDRSS-user orbit determination accuracy using batch least-squares and sequential methods

NASA Technical Reports Server (NTRS)

Oza, D. H.; Jones, T. L.; Hodjatzadeh, M.; Samii, M. V.; Doll, C. E.; Hart, R. C.; Mistretta, G. D.

1991-01-01

The development of the Real-Time Orbit Determination/Enhanced (RTOD/E) system as a prototype system for sequential orbit determination on a Disk Operating System (DOS) based Personal Computer (PC) is addressed. The results of a study to compare the orbit determination accuracy of a Tracking and Data Relay Satellite System (TDRSS) user spacecraft obtained using RTOD/E with the accuracy of an established batch least squares system, the Goddard Trajectory Determination System (GTDS), is addressed. Independent assessments were made to examine the consistencies of results obtained by the batch and sequential methods. Comparisons were made between the forward filtered RTOD/E orbit solutions and definitive GTDS orbit solutions for the Earth Radiation Budget Satellite (ERBS); the maximum solution differences were less than 25 m after the filter had reached steady state.

High-resolution measurements of elemental mercury in surface water for an improved quantitative understanding of the Baltic Sea as a source of atmospheric mercury

NASA Astrophysics Data System (ADS)

Kuss, Joachim; Krüger, Siegfried; Ruickoldt, Johann; Wlost, Klaus-Peter

2018-03-01

Marginal seas are directly subjected to anthropogenic and natural influences from land in addition to receiving inputs from the atmosphere and open ocean. Together these lead to pronounced gradients and strong dynamic changes. However, in the case of mercury emissions from these seas, estimates often fail to adequately account for the spatial and temporal variability of the elemental mercury concentration in surface water (Hg0wat). In this study, a method to measure Hg0wat at high resolution was devised and subsequently validated. The better-resolved Hg0wat dataset, consisting of about one measurement per nautical mile, yielded insight into the sea's small-scale variability and thus improved the quantification of the sea's Hg0 emission. This is important because global marine Hg0 emissions constitute a major source of atmospheric mercury. Research campaigns in the Baltic Sea were carried out between 2011 and 2015 during which Hg0 both in surface water and in ambient air were measured. For the former, two types of equilibrators were used. A membrane equilibrator enabled continuous equilibration and a bottle equilibrator assured that equilibrium was reached for validation. The measurements were combined with data obtained in the Baltic Sea in 2006 from a bottle equilibrator only. The Hg0 sea-air flux was newly calculated with the combined dataset based on current knowledge of the Hg0 Schmidt number, Henry's law constant, and a widely used gas exchange transfer velocity parameterization. By using a newly developed pump-CTD with increased pumping capability in the Hg0 equilibrator measurements, Hg0wat could also be characterized in deeper water layers. A process study carried out near the Swedish island Øland in August 2015 showed that the upwelling of Hg0-depleted water contributed to Hg0 emissions of the Baltic Sea. However, a delay of a few days after contact between the upwelled water and light was apparently necessary before the biotic and abiotic transformations of ionic to volatile Hg0 produced a distinct sea-air Hg0 concentration gradient. This study clearly showed spatial, seasonal, and interannual variability in the Hg0 sea-air flux of the Baltic Sea. The average annual Hg0 emission was 0.90 ± 0.18 Mg for the Baltic proper and extrapolated to 1.73 ± 0.32 Mg for the entire Baltic Sea, which is about half the amount entrained by atmospheric deposition. A comparison of our results with the Hg0 sea-air fluxes determined in the Mediterranean Sea and in marginal seas in East Asia were to some extent similar but they partly differed in terms of the deviations in the amount and seasonality of the flux.

40 CFR 61.164 - Test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

... glass type (i) produced during the 12-month period, as follows: ER17OC00.483 Where: Ti = The theoretical uncontrolled arsenic emission factor for each glass type (i), g/kg (lb/ton). Abi = Fraction by weight of elemental arsenic in the fresh batch for each glass type (I). Wbi = Weight of fresh batch melted per unit...

A rapid and efficient assay for extracting DNA from fungi

USGS Publications Warehouse

Griffin, Dale W.; Kellogg, C.A.; Peak, K.K.; Shinn, E.A.

2002-01-01

Aims: A method for the rapid extraction of fungal DNA from small quantities of tissue in a batch-processing format was investigated. Methods and Results: Tissue (< 3.0 mg) was scraped from freshly-grown fungal isolates. The tissue was suspended in buffer AP1 and subjected to seven rounds of freeze/thaw using a crushed dry ice/ethanol bath and a boiling water bath. After a 30 min boiling step, the tissue was quickly ground against the wall of the microfuge tube using a sterile pipette tip. The Qiagen DNeasy Plant Tissue Kit protocol was then used to purify the DNA for PCR/ sequencing applications. Conclusions: The method allowed batch DNA extraction from multiple fungal isolates using a simple yet rapid and reliable assay. Significance and Impact of the Study: Use of this assay will allow researchers to obtain DNA from fungi quickly for use in molecular assays that previously required specialized instrumentation, was time-consuming or was not conducive to batch processing.

Evaluation of pretreatment methods on mixed inoculum for both batch and continuous thermophilic biohydrogen production from cassava stillage.

PubMed

Luo, Gang; Xie, Li; Zou, Zhonghai; Wang, Wen; Zhou, Qi

2010-02-01

Anaerobic sludges, pretreated by chloroform, base, acid, heat and loading-shock, as well as untreated sludge were evaluated for their thermophilic fermentative hydrogen-producing characters from cassava stillage in both batch and continuous experiments. Results showed that the highest hydrogen production was obtained by untreated sludge and there were significant differences (p<0.05) in hydrogen yields (varied from 32.9 to 65.3mlH(2)/gVS) among the tested pretreatment methods in batch experiments. However, the differences in hydrogen yields disappeared in continuous experiments, which indicated the pretreatment methods had only short-term effects on the hydrogen production. Further study showed that alkalinity was a crucial parameter influencing the fermentation process. When the influent was adjusted to pH 6 by NaHCO(3) instead of NaOH, the hydrogen yield increased from about 40 to 52mlH(2)/gVS in all the experiments. Therefore, pretreatment of anaerobic sludge is unnecessary for practical thermophilic fermentative hydrogen production from cassava stillage.

Application of high performance liquid chromatography for the profiling of complex chemical mixtures with the aid of chemometrics.

PubMed

Ni, Yongnian; Zhang, Liangsheng; Churchill, Jane; Kokot, Serge

2007-06-15

In this paper, chemometrics methods were applied to resolve the high performance liquid chromatography (HPLC) fingerprints of complex, many-component substances to compare samples from a batch from a given manufacturer, or from those of different producers. As an example of such complex substances, we used a common Chinese traditional medicine, Huoxiang Zhengqi Tincture (HZT) for this research. Twenty-one samples, each representing a separate HZT production batch from one of three manufacturers were analyzed by HPLC with the aid of a diode array detector (DAD). An Agilent Zorbax Eclipse XDB-C18 column with an Agilent Zorbax high pressure reliance cartridge guard-column were used. The mobile phase consisted of water (A) and methanol (B) with a gradient program of 25-65% (v/v, B) during 0-30min, 65-55% (v/v, B) during 30-35min and 55-100% (v/v, B) during 35-60min (flow rate, 1.0mlmin(-1); injection volume, 20mul; and column temperature-ambient). The detection wavelength was adjusted for maximum sensitivity at different time periods. A peak area matrix with 21objectsx14HPLC variables was obtained by sampling each chromatogram at 14 common retention times. Similarities were then calculated to discriminate the batch-to-batch samples and also, a more informative multi-criteria decision making methodology (MCDM), PROMETHEE and GAIA, was applied to obtain more information from the chromatograms in order to rank and compare the complex HZT profiles. The results showed that with the MCDM analysis, it was possible to match and discriminate correctly the batch samples from the three different manufacturers. Fourier transform infrared (FT-IR) spectra taken from samples from several batches were compared by the common similarity method with the HPLC results. It was found that the FT-IR spectra did not discriminate the samples from the different batches.

Mixture model normalization for non-targeted gas chromatography/mass spectrometry metabolomics data.

PubMed

Reisetter, Anna C; Muehlbauer, Michael J; Bain, James R; Nodzenski, Michael; Stevens, Robert D; Ilkayeva, Olga; Metzger, Boyd E; Newgard, Christopher B; Lowe, William L; Scholtens, Denise M

2017-02-02

Metabolomics offers a unique integrative perspective for health research, reflecting genetic and environmental contributions to disease-related phenotypes. Identifying robust associations in population-based or large-scale clinical studies demands large numbers of subjects and therefore sample batching for gas-chromatography/mass spectrometry (GC/MS) non-targeted assays. When run over weeks or months, technical noise due to batch and run-order threatens data interpretability. Application of existing normalization methods to metabolomics is challenged by unsatisfied modeling assumptions and, notably, failure to address batch-specific truncation of low abundance compounds. To curtail technical noise and make GC/MS metabolomics data amenable to analyses describing biologically relevant variability, we propose mixture model normalization (mixnorm) that accommodates truncated data and estimates per-metabolite batch and run-order effects using quality control samples. Mixnorm outperforms other approaches across many metrics, including improved correlation of non-targeted and targeted measurements and superior performance when metabolite detectability varies according to batch. For some metrics, particularly when truncation is less frequent for a metabolite, mean centering and median scaling demonstrate comparable performance to mixnorm. When quality control samples are systematically included in batches, mixnorm is uniquely suited to normalizing non-targeted GC/MS metabolomics data due to explicit accommodation of batch effects, run order and varying thresholds of detectability. Especially in large-scale studies, normalization is crucial for drawing accurate conclusions from non-targeted GC/MS metabolomics data.

A neural-network potential through charge equilibration for WS2: From clusters to sheets

NASA Astrophysics Data System (ADS)

Hafizi, Roohollah; Ghasemi, S. Alireza; Hashemifar, S. Javad; Akbarzadeh, Hadi

2017-12-01

In the present work, we use a machine learning method to construct a high-dimensional potential for tungsten disulfide using a charge equilibration neural-network technique. A training set of stoichiometric WS2 clusters is prepared in the framework of density functional theory. After training the neural-network potential, the reliability and transferability of the potential are verified by performing a crystal structure search on bulk phases of WS2 and by plotting energy-area curves of two different monolayers. Then, we use the potential to investigate various triangular nano-clusters and nanotubes of WS2. In the case of nano-structures, we argue that 2H atomic configurations with sulfur rich edges are thermodynamically more stable than the other investigated configurations. We also studied a number of WS2 nanotubes which revealed that 1T tubes with armchair chirality exhibit lower bending stiffness.

Liquid-liquid transition in the ST2 model of water

NASA Astrophysics Data System (ADS)

Debenedetti, Pablo

2013-03-01

We present clear evidence of the existence of a metastable liquid-liquid phase transition in the ST2 model of water. Using four different techniques (the weighted histogram analysis method with single-particle moves, well-tempered metadynamics with single-particle moves, weighted histograms with parallel tempering and collective particle moves, and conventional molecular dynamics), we calculate the free energy surface over a range of thermodynamic conditions, we perform a finite size scaling analysis for the free energy barrier between the coexisting liquid phases, we demonstrate the attainment of diffusive behavior, and we perform stringent thermodynamic consistency checks. The results provide conclusive evidence of a first-order liquid-liquid transition. We also show that structural equilibration in the sluggish low-density phase is attained over the time scale of our simulations, and that crystallization times are significantly longer than structural equilibration, even under deeply supercooled conditions. We place our results in the context of the theory of metastability.

Tube Visualization and Properties from Isoconfigurational Averaging

NASA Astrophysics Data System (ADS)

Qin, Jian; Bisbee, Windsor; Milner, Scott

2012-02-01

We introduce a simulation method to visualize the confining tube in polymer melts and measure its properties. We studied bead-spring ring polymers, which conveniently suppresses constraint release and contour length fluctuations. We allow molecules to cross and reach topologically equilibrated states by invoking various molecular rebridging moves in Monte Carlo simulations. To reveal the confining tube, we start with a well equilibrated configuration, turn off rebridging moves, and run molecular dynamics simulation multiple times, each with different initial velocities. The resulting set of ``movies'' of molecular trajectories defines an isoconfigurational ensemble, with the bead positions at different times and in different ``movies'' giving rise to a cloud. The cloud shows the shape, range and strength of the tube confinement, which enables us to study the statistical properties of tube. Using this approach, we studied the effects of free surface, and found that the tube diameter near the surface is greater than the bulk value by about 25%.

Testing of the Defense Waste Processing Facility Cold Chemical Dissolution Method in Sludge Batch 9 Qualification

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

Edwards, T.; Pareizs, J.; Coleman, C.

For each sludge batch that is processed in the Defense Waste Processing Facility (DWPF), the Savannah River National Laboratory (SRNL) tests the applicability of the digestion methods used by the DWPF Laboratory for elemental analysis of Sludge Receipt and Adjustment Tank (SRAT) Receipt samples and SRAT Product process control samples. DWPF SRAT samples are typically dissolved using a method referred to as the DWPF Cold Chemical or Cold Chem Method (CC), (see DWPF Procedure SW4- 15.201). Testing indicates that the CC method produced mixed results. The CC method did not result in complete dissolution of either the SRAT Receipt ormore » SRAT Product with some fine, dark solids remaining. However, elemental analyses did not reveal extreme biases for the major elements in the sludge when compared with analyses obtained following dissolution by hot aqua regia (AR) or sodium peroxide fusion (PF) methods. The CC elemental analyses agreed with the AR and PF methods well enough that it should be adequate for routine process control analyses in the DWPF after much more extensive side-by-side tests of the CC method and the PF method are performed on the first 10 SRAT cycles of the Sludge Batch 9 (SB9) campaign. The DWPF Laboratory should continue with their plans for further tests of the CC method during these 10 SRAT cycles.« less

Paracetamol plasma and cerebrospinal fluid pharmacokinetics in children

PubMed Central

Anderson, B J; Holford, N H G; Woollard, G A; Chan, P L S

1998-01-01

Aims Paracetamol has a central action for both antipyresis and analgesia. Maximum temperature decrease and peak analgesia are reported at 1–2 h after peak plasma paracetamol concentration. We wished to determine the relationship between plasma and cerebrospinal fluid (CSF) pharmacokinetics in children. Methods Concentration-time profiles in plasma and CSF after nasogastric paracetamol 40 mg kg−1 were measured in nine children who had indwelling ventricular drains. Estimation of population pharmacokinetic parameters was made using both a standard two-stage population approach (MKMODEL) and a nonlinear mixed effect model (NONMEM). Results were standardized to a 70 kg person using an allometric power model. Results Both approaches gave similar estimates. NONMEM parameter estimates were clearance 10.2 l h−1 (CV 47%), volume of distribution 67.1 l (CV 58%) and absorption rate constant 0.77 h−1 (CV 49%). Cerebrospinal fluid concentrations lagged behind those of plasma. The equilibration half time was 0.72 h (CV 117%). The CSF/plasma partition coefficient was 1.18 (CV 8%). Conclusions Higher concentrations in the CSF probably reflect the lower free water volume of plasma. The CSF equilibration half time suggests that CSF kinetics approximate more closely to the effect compartment than plasma, but further time is required for paracetamol to exert its effects. Effect site concentrations equilibrate slowly with plasma. Paracetamol should be given 1–2 h before anticipated pain or fever in children. PMID:9764964

Maxwell-Stefan diffusion: a framework for predicting condensed phase diffusion and phase separation in atmospheric aerosol

NASA Astrophysics Data System (ADS)

Fowler, Kathryn; Connolly, Paul J.; Topping, David O.; O'Meara, Simon

2018-02-01

The composition of atmospheric aerosol particles has been found to influence their micro-physical properties and their interaction with water vapour in the atmosphere. Core-shell models have been used to investigate the relationship between composition, viscosity and equilibration timescales. These models have traditionally relied on the Fickian laws of diffusion with no explicit account of non-ideal interactions. We introduce the Maxwell-Stefan diffusion framework as an alternative method, which explicitly accounts for non-ideal interactions through activity coefficients. e-folding time is the time it takes for the difference in surface and bulk concentration to change by an exponential factor and was used to investigate the interplay between viscosity and solubility and the effect this has on equilibration timescales within individual aerosol particles. The e-folding time was estimated after instantaneous increases in relative humidity to binary systems of water and an organic component. At low water mole fractions, viscous effects were found to dominate mixing. However, at high water mole fractions, equilibration times were more sensitive to a range in solubility, shown through the greater variation in e-folding times. This is the first time the Maxwell-Stefan framework has been applied to an atmospheric aerosol core-shell model and shows that there is a complex interplay between the viscous and solubility effects on aerosol composition that requires further investigation.

Do placebo based validation standards mimic real batch products behaviour? Case studies.

PubMed

Bouabidi, A; Talbi, M; Bouklouze, A; El Karbane, M; Bourichi, H; El Guezzar, M; Ziemons, E; Hubert, Ph; Rozet, E

2011-06-01

Analytical methods validation is a mandatory step to evaluate the ability of developed methods to provide accurate results for their routine application. Validation usually involves validation standards or quality control samples that are prepared in placebo or reconstituted matrix made of a mixture of all the ingredients composing the drug product except the active substance or the analyte under investigation. However, one of the main concerns that can be made with this approach is that it may lack an important source of variability that come from the manufacturing process. The question that remains at the end of the validation step is about the transferability of the quantitative performance from validation standards to real authentic drug product samples. In this work, this topic is investigated through three case studies. Three analytical methods were validated using the commonly spiked placebo validation standards at several concentration levels as well as using samples coming from authentic batch samples (tablets and syrups). The results showed that, depending on the type of response function used as calibration curve, there were various degrees of differences in the results accuracy obtained with the two types of samples. Nonetheless the use of spiked placebo validation standards was showed to mimic relatively well the quantitative behaviour of the analytical methods with authentic batch samples. Adding these authentic batch samples into the validation design may help the analyst to select and confirm the most fit for purpose calibration curve and thus increase the accuracy and reliability of the results generated by the method in routine application. Copyright © 2011 Elsevier B.V. All rights reserved.

H2O Adsorption Kinetics on Smectites

NASA Technical Reports Server (NTRS)

Zent, Aaron P.; Quinn, Richard C.; Howard, Jeanie; DeVincenzi, Donald L. (Technical Monitor)

2000-01-01

The adsorptive equilibration of H2O a with montomorillonite, a smectite clay has been measured. At low temperatures and pressures, equilibration can require many hours, effectively preventing smectites at the martian surface from responding rapidly to diurnal pressure and temperature variations.

Correcting for intra-experiment variation in Illumina BeadChip data is necessary to generate robust gene-expression profiles.

PubMed

Kitchen, Robert R; Sabine, Vicky S; Sims, Andrew H; Macaskill, E Jane; Renshaw, Lorna; Thomas, Jeremy S; van Hemert, Jano I; Dixon, J Michael; Bartlett, John M S

2010-02-24

Microarray technology is a popular means of producing whole genome transcriptional profiles, however high cost and scarcity of mRNA has led many studies to be conducted based on the analysis of single samples. We exploit the design of the Illumina platform, specifically multiple arrays on each chip, to evaluate intra-experiment technical variation using repeated hybridisations of universal human reference RNA (UHRR) and duplicate hybridisations of primary breast tumour samples from a clinical study. A clear batch-specific bias was detected in the measured expressions of both the UHRR and clinical samples. This bias was found to persist following standard microarray normalisation techniques. However, when mean-centering or empirical Bayes batch-correction methods (ComBat) were applied to the data, inter-batch variation in the UHRR and clinical samples were greatly reduced. Correlation between replicate UHRR samples improved by two orders of magnitude following batch-correction using ComBat (ranging from 0.9833-0.9991 to 0.9997-0.9999) and increased the consistency of the gene-lists from the duplicate clinical samples, from 11.6% in quantile normalised data to 66.4% in batch-corrected data. The use of UHRR as an inter-batch calibrator provided a small additional benefit when used in conjunction with ComBat, further increasing the agreement between the two gene-lists, up to 74.1%. In the interests of practicalities and cost, these results suggest that single samples can generate reliable data, but only after careful compensation for technical bias in the experiment. We recommend that investigators appreciate the propensity for such variation in the design stages of a microarray experiment and that the use of suitable correction methods become routine during the statistical analysis of the data.

Correcting for intra-experiment variation in Illumina BeadChip data is necessary to generate robust gene-expression profiles

PubMed Central

2010-01-01

Background Microarray technology is a popular means of producing whole genome transcriptional profiles, however high cost and scarcity of mRNA has led many studies to be conducted based on the analysis of single samples. We exploit the design of the Illumina platform, specifically multiple arrays on each chip, to evaluate intra-experiment technical variation using repeated hybridisations of universal human reference RNA (UHRR) and duplicate hybridisations of primary breast tumour samples from a clinical study. Results A clear batch-specific bias was detected in the measured expressions of both the UHRR and clinical samples. This bias was found to persist following standard microarray normalisation techniques. However, when mean-centering or empirical Bayes batch-correction methods (ComBat) were applied to the data, inter-batch variation in the UHRR and clinical samples were greatly reduced. Correlation between replicate UHRR samples improved by two orders of magnitude following batch-correction using ComBat (ranging from 0.9833-0.9991 to 0.9997-0.9999) and increased the consistency of the gene-lists from the duplicate clinical samples, from 11.6% in quantile normalised data to 66.4% in batch-corrected data. The use of UHRR as an inter-batch calibrator provided a small additional benefit when used in conjunction with ComBat, further increasing the agreement between the two gene-lists, up to 74.1%. Conclusion In the interests of practicalities and cost, these results suggest that single samples can generate reliable data, but only after careful compensation for technical bias in the experiment. We recommend that investigators appreciate the propensity for such variation in the design stages of a microarray experiment and that the use of suitable correction methods become routine during the statistical analysis of the data. PMID:20181233

Combined Application of UHPLC-QTOF/MS, HPLC-ELSD and 1 H-NMR Spectroscopy for Quality Assessment of DA-9801, A Standardised Dioscorea Extract.

PubMed

Kang, Kyo Bin; Ryu, Jayoung; Cho, Youngwoong; Choi, Sang-Zin; Son, Miwon; Sung, Sang Hyun

2017-05-01

DA-9801, a standardised 50% aqueous ethanolic extract of a mixture of Dioscorea japonica and D. nipponica, is a botanical drug candidate for the treatment of diabetic neuropathy, which finished its US phase II clinical trials recently. An advanced quality control method is needed for further development of DA-9801, considering its high contents of both primary and secondary metabolites. Development of a quality assessment strategy for DA-9801, based on the combination of UHPLC-QTOF/MS, HPLC-ELSD, and 1 H-NMR spectroscopy. The method was developed and tested with 15 batch products of DA-9801. The steroidal saponins of DA-9801 were tentatively identified by UHPLC-QTOF/MS and were quantified with the validated HPLC-ELSD method. Primary metabolites of DA-9801 were identified and profiled using 1 H-NMR spectrometry. The batch-to-batch equivalence of DA-9801 was tested with the 1 H-NMR spectra using spectral binning, correlation analysis, and principal component analysis. Six major saponins of DA-9801 were tentatively identified by UHPLC-QTOF/MS. Among them, protodioscin and dioscin were quantified by the validated HPLC-ELSD method. Twenty-six metabolites were identified in 1 H-NMR spectra. The similarity between DA-9801 batches could be evaluated with the NMR spectra of DA-9801. The 1 H-NMR method also revealed that two Dioscorea species contributed distinct amino acids to the contents of DA-9801. This study validates the effectiveness of UHPLC-QTOF/MS, HPLC-ELSD, and 1 H NMR-combined method for quality control of DA-9801 and its crude materials. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Precise orbit determination using the batch filter based on particle filtering with genetic resampling approach

NASA Astrophysics Data System (ADS)

Kim, Young-Rok; Park, Eunseo; Choi, Eun-Jung; Park, Sang-Young; Park, Chandeok; Lim, Hyung-Chul

2014-09-01

In this study, genetic resampling (GRS) approach is utilized for precise orbit determination (POD) using the batch filter based on particle filtering (PF). Two genetic operations, which are arithmetic crossover and residual mutation, are used for GRS of the batch filter based on PF (PF batch filter). For POD, Laser-ranging Precise Orbit Determination System (LPODS) and satellite laser ranging (SLR) observations of the CHAMP satellite are used. Monte Carlo trials for POD are performed by one hundred times. The characteristics of the POD results by PF batch filter with GRS are compared with those of a PF batch filter with minimum residual resampling (MRRS). The post-fit residual, 3D error by external orbit comparison, and POD repeatability are analyzed for orbit quality assessments. The POD results are externally checked by NASA JPL’s orbits using totally different software, measurements, and techniques. For post-fit residuals and 3D errors, both MRRS and GRS give accurate estimation results whose mean root mean square (RMS) values are at a level of 5 cm and 10-13 cm, respectively. The mean radial orbit errors of both methods are at a level of 5 cm. For POD repeatability represented as the standard deviations of post-fit residuals and 3D errors by repetitive PODs, however, GRS yields 25% and 13% more robust estimation results than MRRS for post-fit residual and 3D error, respectively. This study shows that PF batch filter with GRS approach using genetic operations is superior to PF batch filter with MRRS in terms of robustness in POD with SLR observations.

Exploring the problem of mold growth and the efficacy of various mold inhibitor methods during moisture sorption isotherm measurements.

PubMed

Yu, X; Martin, S E; Schmidt, S J

2008-03-01

Mold growth is a common problem during the equilibration of food materials at high relative humidity values using the standard saturated salt slurry method. Exposing samples to toluene vapor and mixing samples with mold inhibitor chemicals are suggested methods for preventing mold growth while obtaining isotherms. However, no published research was found that examined the effect of mold growth on isotherm performance or the efficacy of various mold inhibitor methods, including their possible effect on the physicochemical properties of food materials. Therefore, the objectives of this study were to (1) explore the effect of mold growth on isotherm performance in a range of food materials, (2) investigate the effectiveness of 4 mold inhibitor methods, irradiation, 2 chemical inhibitors (potassium sorbate and sodium acetate), and toluene vapor, on mold growth on dent corn starch inoculated with A. niger, and (3) examine the effect of mold inhibitor methods on the physicochemical properties of dent corn starch, including isotherm performance, pasting properties, gelatinization temperature, and enthalpy. Mold growth was found to affect starch isotherm performance by contributing to weight changes during sample equilibration. Among the 4 mold inhibitor methods tested, irradiation and toluene vapor were found to be the most effective for inhibiting growth of A. niger on dent cornstarch. However, both methods exhibited a significant impact on the starches' physiochemical properties, suggesting the need to probe the efficacy of other mold inhibitor methods and explore the use of new rapid isotherm instruments, which hamper mold growth by significantly decreasing measurement time.

Multisystem Temperature Equilibration and the Second Law

ERIC Educational Resources Information Center

Leff, Harvey S.

1977-01-01

Shows that the entropy change during the temperature equilibration of an isolated collection of systems which may exchange heat (but not work) energy is positive when the constant-volume heat capacity of each system is a non-negative function of the temperature. (MLH)

40 CFR 63.490 - Batch front-end process vents-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... may be based on either total organic HAP or TOC. For purposes of this paragraph (c), the term “batch... inlet sampling sites shall ensure the measurement of total organic HAP or TOC (minus methane and ethane... used to determine the concentration of organic HAP or TOC, as appropriate. Alternatively, any other...

A hydrogen isotope study of CO3 type carbonaceous chondrites; comparison with type 3 ordinary chondrites

NASA Technical Reports Server (NTRS)

Morse, A. D.; Newton, J.; Pillinger, C. T.

1993-01-01

Meteorites of the Ornans type 3 carbonaceous chondrites exhibit a range in degree of equilibration, attributed to differing amounts of thermal metamorphism. These differences have been used to split the CO3 chondrites into petrologic sub-types from 3.0, least equilibrated, to 3.7, being most equilibrated. This is similar to the system of assigning the type 3 ordinary chondrites into petrologic sub-types 3.0 to 3.9 based upon thermoluminescence (TL) and other properties; however, the actual range of thermal metamorphism experienced by CO3 chondrites is much less than that of the type 3 ordinary chondrites. The least equilibrated ordinary chondrites show evidence of aqueous alteration and have high D/H ratios possibly due to a deuterium-rich organic carrier. The aim of this study was to determine whether the CO3 chondrites, which have experienced similar secondary conditions to the type 3 ordinary chondrites, also contain a similar deuterium-rich carrier. To date a total of 5 CO3 meteorites, out of a set of 11 for which carbon and nitrogen isotopic data are available, have been analyzed. Ornans has not been analyzed yet, because it does not appear to fit in with the metamorphic sequence exhibited by the other CO3 chondrites; it also has an extremely high delta-D value of +2150 percent, unusual for such a comparatively equilibrated meteorite (type 3.4). Initial results indicate that the more equilibrated CO3's tend to have lower delta-D values, analogous to the higher petrologic type ordinary chondrites. However this is complicated by the effects of terrestrial weathering and the small data-set.

Sensitivities of Earth's core and mantle compositions to accretion and differentiation processes

NASA Astrophysics Data System (ADS)

Fischer, Rebecca A.; Campbell, Andrew J.; Ciesla, Fred J.

2017-01-01

The Earth and other terrestrial planets formed through the accretion of smaller bodies, with their core and mantle compositions primarily set by metal-silicate interactions during accretion. The conditions of these interactions are poorly understood, but could provide insight into the mechanisms of planetary core formation and the composition of Earth's core. Here we present modeling of Earth's core formation, combining results of 100 N-body accretion simulations with high pressure-temperature metal-silicate partitioning experiments. We explored how various aspects of accretion and core formation influence the resulting core and mantle chemistry: depth of equilibration, amounts of metal and silicate that equilibrate, initial distribution of oxidation states in the disk, temperature distribution in the planet, and target:impactor ratio of equilibrating silicate. Virtually all sets of model parameters that are able to reproduce the Earth's mantle composition result in at least several weight percent of both silicon and oxygen in the core, with more silicon than oxygen. This implies that the core's light element budget may be dominated by these elements, and is consistent with ≤1-2 wt% of other light elements. Reproducing geochemical and geophysical constraints requires that Earth formed from reduced materials that equilibrated at temperatures near or slightly above the mantle liquidus during accretion. The results indicate a strong tradeoff between the compositional effects of the depth of equilibration and the amounts of metal and silicate that equilibrate, so these aspects should be targeted in future studies aiming to better understand core formation conditions. Over the range of allowed parameter space, core and mantle compositions are most sensitive to these factors as well as stochastic variations in what the planet accreted as a function of time, so tighter constraints on these parameters will lead to an improved understanding of Earth's core composition.

Deactivation of TEM-1 β-Lactamase Investigated by Isothermal Batch and Non-Isothermal Continuous Enzyme Membrane Reactor Methods

PubMed Central

Rogers, Thomas A.

2011-01-01

The thermal deactivation of TEM-1 β-lactamase was examined using two experimental techniques: a series of isothermal batch assays and a single, continuous, non-isothermal assay in an enzyme membrane reactor (EMR). The isothermal batch-mode technique was coupled with the three-state “Equilibrium Model” of enzyme deactivation, while the results of the EMR experiment were fitted to a four-state “molten globule model”. The two methods both led to the conclusions that the thermal deactivation of TEM-1 β-lactamase does not follow the Lumry-Eyring model and that the Teq of the enzyme (the point at which active and inactive states are present in equal amounts due to thermodynamic equilibrium) is at least 10 °C from the Tm (melting temperature), contrary to the idea that the true temperature optimum of a biocatalyst is necessarily close to the melting temperature. PMID:22039393

A concise synthesis of benzimidazoles via the microwave-assisted one-pot batch reaction of amino acids up to a 10-g scale.

PubMed

Peng, Pai; Xiong, Jin-Feng; Mo, Guang-Zhen; Zheng, Jia-Li; Chen, Ren-Hong; Chen, Xiao-Yun; Wang, Zhao-Yang

2014-10-01

An efficient method for the synthesis of aminomethyl benzimidazoles is developed by using a one-pot batch reaction between amino acids and o-phenylenediamines. This reaction proceeds smoothly in an unmodified household microwave oven, even though scale-up is to 10 g. A desirable method for the quick synthesis of benzimidazoles, which are used as a kind of important intermediates in drug synthesis, is provided by the scale-up utilization of amino acid resource.

Method of producing .beta.-spodumene bodies

DOEpatents

Chyung, Kenneth; Day, J. Paul; Holleran, Louis M.; Olszewski, Anthony R.

1999-01-01

Beta-spodumene bodies and method of preparing the bodies that involves providing a uniform plastic batch of inorganic raw materials, organic binder, and vehicle, wherein the inorganic raw materials are composed of, in percent by weight, about 75% to 95% minerals, and about 5% to 25% glass. The batch is formed into a green body that is fired to produce a body composed substantially of beta-spodumene, and having a thermal expansion coefficient of <10.times.10.sup.-7 /.degree.C.(0-800.degree. C.), and a strength of .gtoreq.4 Ksi.

Stochastic growth logistic model with aftereffect for batch fermentation process

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

Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah

2014-06-19

In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

Gravimetric enrichment of high lipid and starch accumulating microalgae.

PubMed

Hassanpour, Morteza; Abbasabadi, Mahsa; Ebrahimi, Sirous; Hosseini, Maryam; Sheikhbaglou, Ahmad

2015-11-01

This study presents gravimetric enrichment of mixed culture to screen starch and lipid producing species separately in a sequencing batch reactor. In the enriched starch-producing mixed culture photobioreactor, the starch content at the end of steady state batch became 3.42 times the beginning of depletion. Whereas in the enriched lipid-producing photobioreactor, the lipid content at the end of steady state batch became 3 times the beginning of famine phase. The obtained results revealed that the gravimetric enrichment is a suitable screening method for specific production of storage compounds in none-sterile large-scaled condition. Copyright © 2015 Elsevier Ltd. All rights reserved.

Stochastic growth logistic model with aftereffect for batch fermentation process

NASA Astrophysics Data System (ADS)

Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah; Rahman, Haliza Abdul; Salleh, Madihah Md

2014-06-01

In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

A green method using a micellar system for determination of andrographolide and dehydroandrographolide in human plasma.

PubMed

Zhao, Qi; Ding, Jie; Jin, Haiyan; Ding, Lan; Ren, Nanqi

2013-04-01

A method based on cloud point extraction (CPE) coupled with high-performance liquid chromatography separation and ultraviolet (UV) detection was developed to determine andrographolide and dehydroandrographolide in human plasma. The nonionic surfactant Triton X-114 was chosen as the extraction medium. Variable parameters affecting the CPE efficiency were evaluated and optimized, such as concentrations of Triton X-114 and NaCl, pH, equilibration temperature and equilibration time. A Zorbax SB C18 column (250 × 4.6 mm i.d., 5 µm) was used for separation of the two analytes at 30°C. The UV detection was performed at 254 nm. Under the optimum conditions, the limits of detection of andrographolide and dehydroandrographolide are 0.032 and 0.019 µg/mL, respectively. The intra-day and inter-day precisions expressed as relative standard deviation ranged from 3.2 to 7.3% and from 2.9 and 8.6%. The recoveries of andrographolide and dehydroandrographolide were in the range of 76.8-98.6% at three fortified concentrations of 0.1, 0.5 and 1.0 µg/mL. This method was efficient, environmentally friendly, rapid and inexpensive for the extraction and determination of andrographolide and dehydroandrographolide in human plasma.

Phenanthrene sorption with heterogeneous organic matter in a landfill aquifer material

USGS Publications Warehouse

Karapanagioti, H.K.; Sabatini, D.A.; Kleineidam, S.; Grathwohl, P.; Ligouis, B.

1999-01-01

Phenanthrene was used as a model chemical to study the sorption properties of Canadian River Alluvium aquifer material. Both equilibrium and kinetic sorption processes were evaluated through batch studies. The bulk sample was divided into subsamples with varying properties such as particle size, organic content, equilibration time, etc. in order to determine the effect of these properties on resulting sorption parameters. The data have been interpreted and the effect of experimental variables was quantified using the Freundlich isotherm model and a numerical solution of Fick's 2nd law in porous media. Microscopic organic matter characterization proved to be a valuable tool for explaining the results. Different organic matter properties and sorption mechanisms were observed for each soil subsample. Samples containing coal particles presented high Koc values. Samples with organic matter dominated by organic coatings on quartz grains presented low Koc values and contained a high percentage of fast sorption sites. The numerical solution of Fick's 2ndlaw requires the addition of two terms (fast and slow) in order to fit the kinetics of these heterogeneous samples properly. These results thus demonstrate the need for soil organic matter characterization in order to predict and explain the sorption properties of a soil sample containing heterogeneous organic matter and also the difficulty and complexity of modeling sorption in such samples.

Scattering of charge and spin excitations and equilibration of a one-dimensional Wigner crystal

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

Matveev, K. A.; Andreev, A. V.; Klironomos, A. D.

2014-07-01

We study scattering of charge and spin excitations in a system of interacting electrons in one dimension. At low densities, electrons form a one-dimensional Wigner crystal. To a first approximation, the charge excitations are the phonons in the Wigner crystal, and the spin excitations are described by the Heisenberg model with nearest-neighbor exchange coupling. This model is integrable and thus incapable of describing some important phenomena, such as scattering of excitations off each other and the resulting equilibration of the system. We obtain the leading corrections to this model, including charge-spin coupling and the next-nearest-neighbor exchange in the spin subsystem.more » We apply the results to the problem of equilibration of the one-dimensional Wigner crystal and find that the leading contribution to the equilibration rate arises from scattering of spin excitations off each other. We discuss the implications of our results for the conductance of quantum wires at low electron densities« less

An improved technique for the 2H/1H analysis of urines from diabetic volunteers

USGS Publications Warehouse

Coplen, T.B.; Harper, I.T.

1994-01-01

The H2-H2O ambient-temperature equilibration technique for the determination of 2H/1H ratios in urinary waters from diabetic subjects provides improved accuracy over the conventional Zn reduction technique. The standard deviation, ~ 1-2???, is at least a factor of three better than that of the Zn reduction technique on urinary waters from diabetic volunteers. Experiments with pure water and solutions containing glucose, urea and albumen indicate that there is no measurable bias in the hydrogen equilibration technique.The H2-H2O ambient-temperature equilibration technique for the determination of 2H/1H ratios in urinary waters from diabetic subjects provides improved accuracy over the conventional Zn reduction technique. The standard deviation, approximately 1-2%, is at least a factor of three better than that of the Zn reduction technique on urinary waters from diabetic volunteers. Experiments with pure water and solutions containing glucose, urea and albumen indicate that there is no measurable bias in the hydrogen equilibration technique.

Combinations of glycerol percent, glycerol equilibration time, and thawing rate upon freezability of bull spermatozoa in plastic straws.

PubMed

Wiggin, H B; Almquist, J O

1975-03-01

Twelve ejaculates were used in a central composite experiment to test 15 combinations of glycerol (7, 9, 11, 13, or 15%), glycerol equilibration times (1, 2, 4, 8, or 16 h) and thawing rates (water at 35 C for 15 s, 50 C for 13 s, 65 C for 11 s, 80 C for 9 s, or 95 C for 7 s). Semen was diluted in heated skim milk-glycerol, packaged in .3-ml. Continental U.S. straws and frozen in liquid nitrogen vapor. Based on post-thaw progressive sperm motility after storage at -196 C for 9 to 11 days, estimated optima from multiple regression were 10.7% for glycerol, 2.0 h for glycerol equilibration time, and 76 C for thawing bath temperature. Only the linear effect for each variable was significant. Much faster thawing rates and shorter glycerol equilibration times than those for freezing bull spermatozoa in glass ampules should be used for maximum post-thaw sperm motility in straws.

Diagenetic palaeotemperatures from aqueous fluid inclusions: re- equilibration of inclusions in carbonate cements by burial heating.

USGS Publications Warehouse

Burruss, R.C.

1987-01-01

Calculations based on the observed behaviour of inclusions in fluorite under external confining P allows prediction of the T and depths of burial necessary to initiate re-equilibration of aqueous inclusions in the common size range 40-4 mu m. Heating of 20-60oC over the initial trapping T may cause errors of 10-20oC in the homogenization T. This suggests that re-equilibration may cause aqueous inclusions in carbonates to yield a poor record of their low-T history, but a useful record of the maximum T experienced by the host rock. Previous work suggests that inclusions containing petroleum fluids will be less susceptible to re-equilibration.This and the following six abstracts represent papers presented at a joint meeting of the Applied Mineralogy Group of the Mineralogical Society and the Petroleum Group of the Geological Society held in Newcastle upon Tyne in April 1986.-R.A.H.

Petit-spot as definitive evidence for partial melting in the asthenosphere caused by CO2

NASA Astrophysics Data System (ADS)

Machida, Shiki; Kogiso, Tetsu; Hirano, Naoto

2017-02-01

The deep carbon cycle plays an important role on the chemical differentiation and physical properties of the Earth's mantle. Especially in the asthenosphere, seismic low-velocity and high electrical conductivity due to carbon dioxide (CO2)-induced partial melting are expected but not directly observed. Here we discuss the experimental results relevant to the genesis of primitive CO2-rich alkali magma forming petit-spot volcanoes at the deformation front of the outer rise of the northwestern Pacific plate. The results suggest that primitive melt last equilibrated with depleted peridotite at 1.8-2.1 GPa and 1,280-1,290 °C. Although the equilibration pressure corresponds to the pressure of the lower lithosphere, by considering an equilibration temperature higher than the solidus in the volatile-peridotite system along with the temperature of the lower lithosphere, we conclude that CO2-rich silicate melt is always produced in the asthenosphere. The melt subsequently ascends into and equilibrates with the lower lithosphere before eruption.

Modeling Hf-W Evolution for Earth, Moon and Mars in Grand Tack Accretion Simulations: The Isotopic Consequences of Rapid Accretion

NASA Astrophysics Data System (ADS)

Zube, N.; Nimmo, F.; Jacobson, S. A.; Fischer, R. A.

2017-12-01

Short-lived isotopes, such as the decay of lithophile 182Hf into siderophile 182W with a half-life of 9 My, can provide constraints on the timescales of planetary core formation and accretion. Classical accretion scenarios have produced Hf-W isotopic outcomes like those measured presently on the Earth [2,3]. We examine Grand Tack accretion simulations [4,5] and determine the mantle equilibration conditions necessary to produce the observed tungsten isotopic anomaly. Additionally, we follow Hf-W evolution for pairs of bodies that experience a last giant impact fitting the conditions of Earth's Moon-forming collision. In this way, we determine the likelihood of producing the observed almost indistinguishable W isotope anomalies of the Earth and Moon mantles [6]. We model Hf-W evolution for growing planets in 141 N-body simulations during late accretion in the Grand Tack scenario. For each case, we vary the equilibration factor during collisions—the fraction of impactor core that experiences re-equilibration with the entire target mantle—in steps ranging from none (cores merging) to complete equilibration. For Earth-like and Mars-like surviving planets, we find that cases with a high equilibration factor (k > 0.8) and an intermediate (2:1 - 4:1) ratio of initial embryo mass to planetesimal mass were most frequently able to approximate the observed W measurements for Earth and Mars. The equilibration factor required is more restrictive than the one found for classical accretion scenarios [2,3] and may not be consistent with fluid-dynamical predictions [7]. Moons made of impactor material from Earth's last giant impact are only able to result in an Earth-Moon pair having sufficiently similar W anomalies with a likelihood of 8% or less across all simulations. This indicates that a scenario where the Moon isotopically equilibrated with the Earth's mantle after the impact [8] may be required to explain the measured values. [1] Kleine et al. 2009 [2] Nimmo et al. 2010 [3] Rudge et al. 2010 [4] Walsh et al. 2009 [5] Jacobson et al. 2014 [6] Touboul et al., 2007 [7] Deguen et al. 2014 [8] Pahlevan and Stevenson 2007

40 CFR 63.1325 - Batch process vents-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2011 CFR

2011-07-01

... production or activity level. (1) If the expected mix of products serves as the basis for the batch mass... from the high-level calibration gas is at least 20 times the standard deviation of the response from... 25A, 40 CFR part 60, appendix A, is acceptable if the response from the high-level calibration gas is...

Using the scanning electron microscope on the production line to assure quality semiconductors

NASA Technical Reports Server (NTRS)

Adolphsen, J. W.; Anstead, R. J.

1972-01-01

The use of the scanning electron microscope to detect metallization defects introduced during batch processing of semiconductor devices is discussed. A method of determining metallization integrity was developed which culminates in a procurement specification using the scanning microscope on the production line as a quality control tool. Batch process control of the metallization operation is monitored early in the manufacturing cycle.

Flipped clinical training: a structured training method for undergraduates in complete denture prosthesis.

PubMed

K, Anbarasi; K, Kasim Mohamed; Vijayaraghavan, Phagalvarthy; Kandaswamy, Deivanayagam

2016-12-01

To design and implement flipped clinical training for undergraduate dental students in removable complete denture treatment and predict its effectiveness by comparing the assessment results of students trained by flipped and traditional methods. Flipped training was designed by shifting the learning from clinics to learning center (phase I) and by preserving the practice in clinics (phase II). In phase I, student-faculty interactive session was arranged to recap prior knowledge. This is followed by a display of audio synchronized video demonstration of the procedure in a repeatable way and subsequent display of possible errors that may occur in treatment with guidelines to overcome such errors. In phase II, live demonstration of the procedure was given. Students were asked to treat three patients under instructor's supervision. The summative assessment was conducted by applying the same checklist criterion and rubric scoring used for the traditional method. Assessment results of three batches of students trained by flipped method (study group) and three traditionally trained previous batches (control group) were taken for comparison by chi-square test. The sum of traditionally trained three batch students who prepared acceptable dentures (score: 2 and 3) and unacceptable dentures (score: 1) was compared with the same of flipped trained three batch students revealed that the number of students who demonstrated competency by preparing acceptable dentures was higher for flipped training (χ 2 =30.996 with p<0.001). The results reveal the supremacy of flipped training in enhancing students competency and hence recommended for training various clinical procedures.

Comparison of several chemometric methods of libraries and classifiers for the analysis of expired drugs based on Raman spectra.

PubMed

Gao, Qun; Liu, Yan; Li, Hao; Chen, Hui; Chai, Yifeng; Lu, Feng

2014-06-01

Some expired drugs are difficult to detect by conventional means. If they are repackaged and sold back into market, they will constitute a new public health challenge. For the detection of repackaged expired drugs within specification, paracetamol tablet from a manufacturer was used as a model drug in this study for comparison of Raman spectra-based library verification and classification methods. Raman spectra of different batches of paracetamol tablets were collected and a library including standard spectra of unexpired batches of tablets was established. The Raman spectrum of each sample was identified by cosine and correlation with the standard spectrum. The average HQI of the suspicious samples and the standard spectrum were calculated. The optimum threshold values were 0.997 and 0.998 respectively as a result of ROC and four evaluations, for which the accuracy was up to 97%. Three supervised classifiers, PLS-DA, SVM and k-NN, were chosen to establish two-class classification models and compared subsequently. They were used to establish a classification of expired batches and an unexpired batch, and predict the suspect samples. The average accuracy was 90.12%, 96.80% and 89.37% respectively. Different pre-processing techniques were tried to find that first derivative was optimal for methods of libraries and max-min normalization was optimal for that of classifiers. The results obtained from these studies indicated both libraries and classifier methods could detect the expired drugs effectively, and they should be used complementarily in the fast-screening. Copyright © 2014 Elsevier B.V. All rights reserved.

Formulation and evaluation of sublingual tablets containing Sumatriptan succinate

PubMed Central

Prajapati, Shailesh T; Patel, Parth B; Patel, Chhagan N

2012-01-01

Objective: Sumatriptan succinate is a selective 5-hydroxytryptamine-1 receptor agonist effective in the acute treatment of migraine headaches, having low bioavailability of about 15% orally due to first-pass metabolism. The purpose of this research was to mask the intensely bitter taste of Sumatriptan succinate and to formulate fast-acting, taste-masked sublingual tablet formulation. Materials and Methods: Taste masking was performed by solid dispersion method with mannitol and ion exchange with Kyron T 114 because it releases the drug in salivary pH. The resultant batches were evaluated for in-vivo taste masking as well compatability study (Fourier transform infrared (FTIR) and differential scanning calorimetry (DSC)). For a better feel in the mouth, menthol and sweetener Na saccharine were added to the tablet formulation. The tablets were prepared by direct compression and evaluated for weight variation, thickness, friability, drug content, hardness, disintegration time, wetting time, in vitro drug release, and in vitro permeation study. Results and Discussion: Optimized batches disintegrated in vitro within 28-34 s. Maximum drug release could be achieved with in 10 min for the solid dispersion batches and 14-15 min for the ion-exchange batches with Kyron T 114. The optimized tablet formulation showed better taste and the formulated sublingual tablets may act as a potential alternate for the Sumatriptan succinate oral tablet. Conclusion: Sumatriptan succinate can be successfully taste-masked by both the solid dispersion method using mannitol by the melting method and Ion exchange resin with Kyron T114. It was also concluded that prepared formulation improve bioavailability by prevention of first pass metabolism. PMID:23373008

Effect of Dihedral Angle and Porosity on Percolating-Sealing Capacity of Texturally Equilibrated Rock Salt

NASA Astrophysics Data System (ADS)

Ghanbarzadeh, S.; Hesse, M. A.; Prodanovic, M.; Gardner, J. E.

2013-12-01

Salt deposits in sedimentary basins have long been considered to be a seal against fluid penetration. However, experimental, theoretical and field evidence suggests brine (and oil) can wet salt crystal surfaces at higher pressures and temperatures, which can form a percolating network. This network may act as flow conduits even at low porosities. The aim of this work is to investigate the effects of dihedral angle and porosity on the formation of percolating paths in different salt network lattices. However, previous studies considered only simple homogeneous and isotropic geometries. This work extends the analysis to realistic salt textures by presenting a novel numerical method to describe the texturally equilibrated pore shapes in polycrystalline rock salt and brine systems. First, a theoretical interfacial topology was formulated to minimize the interfacial surface between brine and salt. Then, the resulting nonlinear system of ordinary differential equations was solved using the Newton-Raphson method. Results show that the formation of connected fluid channels is more probable in lower dihedral angles and at higher porosities. The connectivity of the pore network is hysteretic, because the connection and disconnection at the pore throats for processes with increasing or decreasing porosities occur at different porosities. In porous media with anisotropic solids, pores initially connect in the direction of the shorter crystal axis and only at much higher porosities in the other directions. Consequently, even an infinitesimal elongation of the crystal shape can give rise to very strong anisotropy in permeability of the pore network. Also, fluid flow was simulated in the resulting pore network to calculate permeability, capillary entry pressure and velocity field. This work enabled us to investigate the opening of pore space and sealing capacity of rock salts. The obtained pore geometries determine a wide range of petrophysical properties such as permeability and capillary entry pressure. This expanded knowledge of the salt textural behavior vs. depth could also improve drilling operations in salt. Second, a series of experiments in different P-T conditions was carried out to investigate the actual shape of equilibrated channels in salt. The synthetic salt samples were scanned at the High Resolution X-ray CT Facility at the Department of Geological Science, the University of Texas at Austin with resolution in 1-6 micron range. The experimental results show both equilibrated (tubular pores) and non-equilibrated (planar features) in salt structure. Image processing was carried out by two open source software programs: ImageJ, which is a public domain Java image processing program, and 3DMA-Rock, which is a software package for quantitative analyzing of the pore space in three-dimensional X-ray computed microtomographic images of rock. We obtain medial axis and medial surface of the pore space, as well as find and characterize the corresponding pore-throat network. We also report permeability of the pore space computed using Palabos software.

Diverse expected gradient active learning for relative attributes.

PubMed

You, Xinge; Wang, Ruxin; Tao, Dacheng

2014-07-01

The use of relative attributes for semantic understanding of images and videos is a promising way to improve communication between humans and machines. However, it is extremely labor- and time-consuming to define multiple attributes for each instance in large amount of data. One option is to incorporate active learning, so that the informative samples can be actively discovered and then labeled. However, most existing active-learning methods select samples one at a time (serial mode), and may therefore lose efficiency when learning multiple attributes. In this paper, we propose a batch-mode active-learning method, called diverse expected gradient active learning. This method integrates an informativeness analysis and a diversity analysis to form a diverse batch of queries. Specifically, the informativeness analysis employs the expected pairwise gradient length as a measure of informativeness, while the diversity analysis forces a constraint on the proposed diverse gradient angle. Since simultaneous optimization of these two parts is intractable, we utilize a two-step procedure to obtain the diverse batch of queries. A heuristic method is also introduced to suppress imbalanced multiclass distributions. Empirical evaluations of three different databases demonstrate the effectiveness and efficiency of the proposed approach.

Diverse Expected Gradient Active Learning for Relative Attributes.

PubMed

You, Xinge; Wang, Ruxin; Tao, Dacheng

2014-06-02

The use of relative attributes for semantic understanding of images and videos is a promising way to improve communication between humans and machines. However, it is extremely labor- and time-consuming to define multiple attributes for each instance in large amount of data. One option is to incorporate active learning, so that the informative samples can be actively discovered and then labeled. However, most existing active-learning methods select samples one at a time (serial mode), and may therefore lose efficiency when learning multiple attributes. In this paper, we propose a batch-mode active-learning method, called Diverse Expected Gradient Active Learning (DEGAL). This method integrates an informativeness analysis and a diversity analysis to form a diverse batch of queries. Specifically, the informativeness analysis employs the expected pairwise gradient length as a measure of informativeness, while the diversity analysis forces a constraint on the proposed diverse gradient angle. Since simultaneous optimization of these two parts is intractable, we utilize a two-step procedure to obtain the diverse batch of queries. A heuristic method is also introduced to suppress imbalanced multi-class distributions. Empirical evaluations of three different databases demonstrate the effectiveness and efficiency of the proposed approach.

ELISA reader does not interfere by mobile phone radiofrequency radiation

PubMed Central

Mortazavi, Seyyed Mohammad Javad; Baradaran-Ghahfarokhi, Hamid Reza; Abdi, Mohammad Reza; Baradaran-Ghahfarokhi, Milad; Mostafavi, Nayyer Sadat; Mahmoudi, Golshan; Berenjkoub, Nafiseh; Akmali, Zahra; Hossein-Beigi, Fahimeh; Arsang, Vajiheh

2016-01-01

Background: The increasing number of mobile phones can physically cause electromagnetic interference (EMI) in medical environments; can also cause errors in immunoassays in laboratories. The ELISA readers are widely used as a useful diagnostic tool for Enzymun colorimetric assay in medicine. The aim of this study was to investigate whether the ELISA reader could be interfered by the exposure to the 900 MHz cell phones in the laboratory. Materials and Methods: Human serum samples were collected from 14 healthy donors (9 women and 5 men) and each sample was divided into four aliquots and was placed into four batches for the in-vitro quantitative determination of human chorionic gonadotropin (hCG). During colorimetric reading of the first, second, and third batches, the ELISA reader (Stat Fax 2100, Awareness Technology, Inc., USA) was exposed to 0.5, 1.0, and 2.0 W exposure of 900 MHz radiation, respectively. For the forth batch (control group), no radiation was applied. All experiments were performed comparing ELISA read out results of the I, II, and III batches with the control batch, using the Wilcoxon test with criterion level of P = 0.050. Results: The final scores in the exposed batches I, II, and III were not statistically significant relative to the control batch (P > 0.05). The results showed that 900 MHz radiation exposure did not alter the ELISA measured levels of hCG hormone in I (P = 0.219), II (P = 0.909), and III (P = 0.056) batches compared to the control batch. Conclusion: This study showed that ELISA reader does not interfere by mobile phone RF radiation at a closed contact (less than 5 cm distance). However, we recommend that medical institutions discuss these issues in the context of their specific use of technologies and frame a policy that is clear and straightforward to guide staff, patients, and visitors. PMID:27376040

[Evaluation of the AOAC 985.29 enzimic gravimetric method for determination of dietary fiber in oat and corn grains].

PubMed

da Silva, Leila Picolli; Ciocca, Maria de Lourdes Santorio; Furlong, Eliana Badiale

2003-12-01

The precision attributes and use of the enzymatic-gravimetric method of Prosky et al. (1992) (AOAC 985.29) were evaluated using corn (BR 5202 Pampa) and oat (UFRGS 15) samples. The effect of laboratory batches carried out in different days were evaluated in six laboratory batches, using for each material one duplicate for total fiber (FT) determination, one duplicate for insoluble fiber (FI) determination and blank ones for FT and for FI (both in duplicate). In order to characterize repetitive aspects, five other FT and FI determinations added to each sample were evaluated, summing up 11 data. The low coefficients of variation in the first six batches were considered acceptable as an expression of expected total intralaboratory variation. The repetitive of the method was considered good for FT determinations (CVs < 10%). However, in the FI determination a high frequency of negative values of ash and blanks was found, impairing the repetitive aspects evaluation. The magnitude of the total gravimetric corrections varies with the kind of the sample and is especially influenced by the protein content.

Effector diversification within compartments of the Leptosphaeria maculans genome affected by repeat induced point mutations

USDA-ARS?s Scientific Manuscript database

The genome sequence of the phytopathogenic fungus Leptosphaeria maculans has been determined. It has a unique bipartite structure, divided between distinct GC-equilibrated and AT-rich regions (isochores), reminiscent of some plants and animals but not previously observed in fungi. The GC-equilibrate...

EVALUATION OF VAPOR EQUILIBRATION AND IMPACT OF PURGE VOLUME ON SOIL-GAS SAMPLING RESULTS

EPA Science Inventory

Sequential sampling was utilized at the Raymark Superfund site to evaluate attainment of vapor equilibration and the impact of purge volume on soil-gas sample results. A simple mass-balance equation indicates that removal of three to five internal volumes of a sample system shou...

Evaluation of petrifilm series 2000 as a possible rapid method to count coliforms in foods.

PubMed

Priego, R; Medina, L M; Jordano, R

2000-08-01

This research note is a preliminary comparison between the Petrifilm 2000 method and a widely used traditional enumeration method (on violet red bile agar); six batches of different foods (egg, frozen green beans, fresh sausage, a bakery product, raw minced meat, and raw milk) were studied. The reliability of the presumptive counts taken at 10, 12, and 14 h of incubation using this method was also verified by comparing the counts with the total confirmed counts at 24 h. In all the batches studied, results obtained with Petrifilm 2000 presented a close correlation to those obtained using violet red bile agar (r = 0.860) and greater sensitivity (93.33% of the samples displayed higher counts on Petrifilm 2000), showing that this method is a reliable and efficient alternative. The count taken at 10-h incubation is of clear interest as an early indicator of results in microbiological food control, since it accounted for 90% of the final count in all the batches analyzed. Counts taken at 12 and 14 h bore a greater similarity to those taken at 24 h. The Petrifilm 2000 method provides results in less than 12 h of incubation, making it a possible rapid method that adapts perfectly to hazard analysis critical control point system by enabling the microbiological quality control of the processing.

Solubility of water in lunar basalt at low pH2O

NASA Astrophysics Data System (ADS)

Newcombe, M. E.; Brett, A.; Beckett, J. R.; Baker, M. B.; Newman, S.; Guan, Y.; Eiler, J. M.; Stolper, E. M.

2017-03-01

We report the solubility of water in Apollo 15 basaltic "Yellow Glass" and an iron-free basaltic analog composition at 1 atm and 1350 °C. We equilibrated melts in a 1-atm furnace with flowing H2/CO2 gas mixtures that spanned ∼8 orders of magnitude in fO2 (from three orders of magnitude more reducing than the iron-wüstite buffer, IW-3.0, to IW+4.8) and ∼4 orders of magnitude in pH2/pH2O (from 0.003 to 24). Based on Fourier transform infrared spectroscopy (FTIR), our quenched experimental glasses contain 69-425 ppm total water (by weight). Our results demonstrate that under the conditions of our experiments: (1) hydroxyl is the only H-bearing species detected by FTIR; (2) the solubility of water is proportional to the square root of pH2O in the furnace atmosphere and is independent of fO2 and pH2/pH2O; (3) the solubility of water is very similar in both melt compositions; (4) the concentration of H2 in our iron-free experiments is <∼4 ppm, even at oxygen fugacities as low as IW-2.3 and pH2/pH2O as high as 11; (5) Secondary ion mass spectrometry (SIMS) analyses of water in iron-rich glasses equilibrated under variable fO2 conditions may be strongly influenced by matrix effects, even when the concentration of water in the glasses is low; and (6) Our results can be used to constrain the entrapment pressure of lunar melt inclusions and the partial pressures of water and molecular hydrogen in the carrier gas of the lunar pyroclastic glass beads. We find that the most water-rich melt inclusion of Hauri et al. (2011) would be in equilibrium with a vapor with pH2O ∼ 3 bar and pH2 ∼ 8 bar. We constrain the partial pressures of water and molecular hydrogen in the carrier gas of the lunar pyroclastic glass beads to be 0.0005 bar and 0.0011 bar respectively. We calculate that batch degassing of lunar magmas containing initial volatile contents of 1200 ppm H2O (dissolved primarily as hydroxyl) and 4-64 ppm C would produce enough vapor to reach the critical vapor volume fraction thought to be required for magma fragmentation (∼65-75 vol.%) at a total pressure of ∼5 bar (corresponding to a depth beneath the lunar surface of ∼120 m). At a fragmentation pressure of ∼5 bar, the calculated vapor composition is dominated by H2, supporting the hypothesis that H2, rather than CO, was the primary propellant of the lunar fire fountain eruptions. The results of our batch degassing model suggest that initial melt compositions with >∼200 ppm C would be required for the vapor composition to be dominated by CO rather than H2 at 65-75% vesicularity.

Preparation and characterization of nickel-spiked freshwater sediments for toxicity tests: toward more environmentally realistic nickel partitioning

USGS Publications Warehouse

Brumbaugh, William G.; Besser, John M.; Ingersoll, Christopher G.; May, Thomas W.; Ivey, Chris D.; Schlekat, Christian E.; Garman, Emily R.

2013-01-01

Two spiking methods were compared and nickel (Ni) partitioning was evaluated during a series of toxicity tests with 8 different freshwater sediments having a range of physicochemical characteristics. A 2-step spiking approach with immediate pH adjustment by addition of NaOH at a 2:1 molar ratio to the spiked Ni was effective in producing consistent pH and other chemical characteristics across a range of Ni spiking levels. When Ni was spiked into sediment having a high acid-volatile sulfide and organic matter content, a total equilibration period of at least 10 wk was needed to stabilize Ni partitioning. However, highest spiking levels evidently exceeded sediment binding capacities; therefore, a 7-d equilibration in toxicity test chambers and 8 volume-additions/d of aerobic overlying water were used to avoid unrealistic Ni partitioning during toxicity testing. The 7-d pretest equilibration allowed excess spiked Ni and other ions from pH adjustment to diffuse from sediment porewater and promoted development of an environmentally relevant, 0.5- to 1-cm oxic/suboxic sediment layer in the test chambers. Among the 8 different spiked sediments, the logarithm of sediment/porewater distribution coefficient values (log Kd) for Ni during the toxicity tests ranged from 3.5 to 4.5. These Kd values closely match the range of values reported for various field Ni-contaminated sediments, indicating that testing conditions with our spiked sediments were environmentally realistic.

Application of Taguchi optimization on the cassava starch wastewater electrocoagulation using batch recycle method

NASA Astrophysics Data System (ADS)

Sudibyo, Hermida, L.; Suwardi

2017-11-01

Tapioca waste water is very difficult to treat; hence many tapioca factories could not treat it well. One of method which able to overcome this problem is electrodeposition. This process has high performance when it conducted using batch recycle process and use aluminum bipolar electrode. However, the optimum operation conditions are having a significant effect in the tapioca wastewater treatment using bath recycle process. In this research, The Taguchi method was successfully applied to know the optimum condition and the interaction between parameters in electrocoagulation process. The results show that current density, conductivity, electrode distance, and pH have a significant effect on the turbidity removal of cassava starch waste water.

Advances in industrial biopharmaceutical batch process monitoring: Machine-learning methods for small data problems.

PubMed

Tulsyan, Aditya; Garvin, Christopher; Ündey, Cenk

2018-04-06

Biopharmaceutical manufacturing comprises of multiple distinct processing steps that require effective and efficient monitoring of many variables simultaneously in real-time. The state-of-the-art real-time multivariate statistical batch process monitoring (BPM) platforms have been in use in recent years to ensure comprehensive monitoring is in place as a complementary tool for continued process verification to detect weak signals. This article addresses a longstanding, industry-wide problem in BPM, referred to as the "Low-N" problem, wherein a product has a limited production history. The current best industrial practice to address the Low-N problem is to switch from a multivariate to a univariate BPM, until sufficient product history is available to build and deploy a multivariate BPM platform. Every batch run without a robust multivariate BPM platform poses risk of not detecting potential weak signals developing in the process that might have an impact on process and product performance. In this article, we propose an approach to solve the Low-N problem by generating an arbitrarily large number of in silico batches through a combination of hardware exploitation and machine-learning methods. To the best of authors' knowledge, this is the first article to provide a solution to the Low-N problem in biopharmaceutical manufacturing using machine-learning methods. Several industrial case studies from bulk drug substance manufacturing are presented to demonstrate the efficacy of the proposed approach for BPM under various Low-N scenarios. © 2018 Wiley Periodicals, Inc.

Barite recrystallization in the presence of 226Ra and 133Ba

NASA Astrophysics Data System (ADS)

Heberling, Frank; Metz, Volker; Böttle, Melanie; Curti, Enzo; Geckeis, Horst

2018-07-01

Despite the long history of studies on (Ba,Ra)SO4, various recent investigations aimed at improving our understanding of its formation processes and thermodynamics. Accumulation of natural Ra isotopes (mainly 226Ra and 228Ra) in (Ba,Ra)SO4 plays an important role in many geotechnical applications and water desalination facilities. In the near field of a nuclear waste repository, barite formation may be expected e.g. as a consequence of contact of spent nuclear fuel or vitrified high level waste with sulfate containing ground water, and may control the potential release of Ra from waste forms upon leakage. Here, we present results of long term batch-type barite recrystallization experiments conducted in the simultaneous presence of 226Ra and 133Ba as a function of initial Ra2+ concentration and pH with the same type and charge of barite powder as used in previous studies (Curti et al., 2010; Klinkenberg et al., 2014; Brandt et al., 2015). Due to the simultaneous measurement of 133Ba and 226Ra our data allow for a direct relation of 226Ra uptake with barite recrystallization, which leads to more accurate partition coefficients compared to previous studies. During a reaction period of five years, barite is continuously recrystallizing. Within the investigated radium concentration range (Ba(1-X)RaXSO4 with X < 0.0006), we measure a partition coefficient of D = 2.1 ± 0.5. The partition coefficient is constant within uncertainty during almost five years (1793 days) of experimental duration. This value is in line with a description of (Ba,Ra)SO4 as an ideal solid solution based on the solubility products (KSP) of the endmembers barite (log10(KSP(barite)) = -9.97) and radium sulfate (log10(KSP(RaSO4)) = -10.26; dimensionless Guggenheim parameter, a0 = 0.0 ± 0.3). Apparent discrepancies to previous theoretical results (a0 = 1.0 ± 0.4) may be resolved when the uncertainties related to the solubility of RaSO4 are considered. Compared to results of previous publications, recrystallization is extremely slow in the experiments presented here. While previous authors suggested complete equilibration of bulk microcrystalline barite within less than three years, a recrystallization of less than 7% of the barite mass is observed within five years. We describe the progress of recrystallization with a new modified homogeneous recrystallization model. Observed recrystallization rates are in the range 0.11-1.5 nmol/(m2 s) and increase with decreasing pH. According to this modified homogeneous recrystallization model, complete bulk barite equilibration is expected in about 1400-16,900 years. The strongly decreased recrystallization kinetics in our experiments is likely related to a strongly prolonged pre-equilibration time (0.8 years), which according to XRD investigations, leads to a higher crystallinity (higher crystal domain size and lower Debye-Waller parameters) of the barite powder.

QCD matter thermalization at the RHIC and the LHC

NASA Astrophysics Data System (ADS)

Xu, Zhe; Cheng, Luan; El, Andrej; Gallmeister, Kai; Greiner, Carsten

2009-06-01

Employing the perturbative QCD inspired parton cascade, we investigate kinetic and chemical equilibration of the partonic matter created in central heavy ion collisions at RHIC and LHC energies. Two types of initial conditions are chosen. One is generated by the model of wounded nucleons using the PYTHIA event generator and Glauber geometry. Another is considered as a color glass condensate. We show that kinetic equilibration is almost independent of the chosen initial conditions, whereas there is a sensitive dependence for chemical equilibration. The time scale of thermalization lies between 1 and 1.5 fm/c. The final parton transverse energy obtained from BAMPS calculations is compared with the RHIC data and is estimated for the LHC energy.

Orthodontic management by functional activator treatment: a case report.

PubMed

Aprile, Giuseppe; Ortu, Eleonora; Cattaneo, Ruggero; Pietropaoli, Davide; Giannoni, Mario; Monaco, Annalisa

2017-12-02

Managing orthodontic treatment is often very difficult for the orthodontist. Many devices are used during the orthopedic phase of orthodontic treatment, always with different functions. We describe a case of orthodontic management treated with the Equilibrator O.S.A. device (equilibrator designed by Ovidi, Santi, and Aprile for Eptamed SRL; Cesena, Italy; www.eptamed.com ). A healthy 10-year-old white boy presented with a skeletal class II, division 1 malocclusion, molar class II, exhibiting an overjet of 7 mm prior to treatment. For treatment, we only used the Equilibrator O.S.A. device. We successfully treated an orthopedic/orthodontic case with a particular device that we describe here.

Radon as a tracer of biogenic gas equilibration and transport from methane-saturated sediments

NASA Technical Reports Server (NTRS)

Martens, Christopher S.; Chanton, Jeffrey P.

1989-01-01

Data on Rn-222 activity in methane-rich gas bubbles from anoxic coastal sediments of Cape Lookout Bight, North Carolina, were used to determine gas equilibration with pore waters and the rates of ebullitive stripping and transport of gases to overlying waters and the atmosphere. Results showed that, during summer months, the bubble ebullition process strips and transports 1.9-4.8 percent/day of the standing crop of radon (and, by inference, other gases equilibrated with gas bubbles) in surface sediments of Cape Lookout Bight to the troposphere. Thus, the ebullitive mode of gas transport represents an effective mechanism for delivering reduced biogenic gases directly to the atmosphere.

Synthesis of a drug-like focused library of trisubstituted pyrrolidines using integrated flow chemistry and batch methods.

PubMed

Baumann, Marcus; Baxendale, Ian R; Kuratli, Christoph; Ley, Steven V; Martin, Rainer E; Schneider, Josef

2011-07-11

A combination of flow and batch chemistries has been successfully applied to the assembly of a series of trisubstituted drug-like pyrrolidines. This study demonstrates the efficient preparation of a focused library of these pharmaceutically important structures using microreactor technologies, as well as classical parallel synthesis techniques, and thus exemplifies the impact of integrating innovative enabling tools within the drug discovery process.

Extruded ceramic honeycomb and method

DOEpatents

Day, J. Paul

1995-04-04

Extruded low-expansion ceramic honeycombs comprising beta-spodumene solid solution as the principal crystal phase and with less than 7 weight percent of included mullite are produced by compounding an extrusion batch comprising a lithium aluminosilicate glass powder and a clay additive, extruding a green honeycomb body from the batch, and drying and firing the green extruded cellular honeycomb to crystallize the glass and clay into a low-expansion spodumene ceramic honeycomb body.

VERIFICATION OF THE DEFENSE WASTE PROCESSING FACILITY PROCESS DIGESTION METHOD FOR THE SLUDGE BATCH 6 QUALIFICATION SAMPLE

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

Click, D.; Jones, M.; Edwards, T.

2010-06-09

For each sludge batch that is processed in the Defense Waste Processing Facility (DWPF), the Savannah River National Laboratory (SRNL) confirms applicability of the digestion method to be used by the DWPF lab for elemental analysis of Sludge Receipt and Adjustment Tank (SRAT) receipt samples and SRAT product process control samples.1 DWPF SRAT samples are typically dissolved using a room temperature HF-HNO3 acid dissolution (i.e., DWPF Cold Chem (CC) Method, see DWPF Procedure SW4-15.201) and then analyzed by inductively coupled plasma - atomic emission spectroscopy (ICPAES). In addition to the CC method confirmation, the DWPF lab's mercury (Hg) digestion methodmore » was also evaluated for applicability to SB6 (see DWPF procedure 'Mercury System Operating Manual', Manual: SW4-15.204. Section 6.1, Revision 5, Effective date: 12-04-03). This report contains the results and comparison of data generated from performing the Aqua Regia (AR), Sodium Peroxide/Hydroxide Fusion (PF) and DWPF Cold Chem (CC) method digestion of Sludge Batch 6 (SB6) SRAT Receipt and SB6 SRAT Product samples. For validation of the DWPF lab's Hg method, only SRAT receipt material was used and compared to AR digestion results. The SB6 SRAT Receipt and SB6 SRAT Product samples were prepared in the SRNL Shielded Cells, and the SRAT Receipt material is representative of the sludge that constitutes the SB6 Batch or qualification composition. This is the sludge in Tank 51 that is to be transferred into Tank 40, which will contain the heel of Sludge Batch 5 (SB5), to form the SB6 Blend composition. In addition to the 16 elements currently measured by the DWPF, this report includes Hg and thorium (Th) data (Th comprising {approx}2.5 - 3 Wt% of the total solids in SRAT Receipt and SRAT Product, respectively) and provides specific details of ICP-AES analysis of Th. Thorium was found to interfere with the U 367.007 nm emission line, and an inter-element correction (IEC) had to be applied to U data, which is also discussed. The results for any one particular element should not be used in any way to identify the form or speciation of a particular element without support from XRD analysis or used to estimate ratios of compounds in the sludge.« less

TDRSS-user orbit determination using batch least-squares and sequential methods

NASA Astrophysics Data System (ADS)

Oza, D. H.; Jones, T. L.; Hakimi, M.; Samii, Mina V.; Doll, C. E.; Mistretta, G. D.; Hart, R. C.

1993-02-01

The Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) commissioned Applied Technology Associates, Incorporated, to develop the Real-Time Orbit Determination/Enhanced (RTOD/E) system on a Disk Operating System (DOS)-based personal computer (PC) as a prototype system for sequential orbit determination of spacecraft. This paper presents the results of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft, Landsat-4, obtained using RTOD/E, operating on a PC, with the accuracy of an established batch least-squares system, the Goddard Trajectory Determination System (GTDS), and operating on a mainframe computer. The results of Landsat-4 orbit determination will provide useful experience for the Earth Observing System (EOS) series of satellites. The Landsat-4 ephemerides were estimated for the January 17-23, 1991, timeframe, during which intensive TDRSS tracking data for Landsat-4 were available. Independent assessments were made of the consistencies (overlap comparisons for the batch case and covariances and the first measurement residuals for the sequential case) of solutions produced by the batch and sequential methods. The forward-filtered RTOD/E orbit solutions were compared with the definitive GTDS orbit solutions for Landsat-4; the solution differences were less than 40 meters after the filter had reached steady state.

Comparison of ERBS orbit determination accuracy using batch least-squares and sequential methods

NASA Technical Reports Server (NTRS)

Oza, D. H.; Jones, T. L.; Fabien, S. M.; Mistretta, G. D.; Hart, R. C.; Doll, C. E.

1991-01-01

The Flight Dynamics Div. (FDD) at NASA-Goddard commissioned a study to develop the Real Time Orbit Determination/Enhanced (RTOD/E) system as a prototype system for sequential orbit determination of spacecraft on a DOS based personal computer (PC). An overview is presented of RTOD/E capabilities and the results are presented of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft obtained using RTOS/E on a PC with the accuracy of an established batch least squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. RTOD/E was used to perform sequential orbit determination for the Earth Radiation Budget Satellite (ERBS), and the Goddard Trajectory Determination System (GTDS) was used to perform the batch least squares orbit determination. The estimated ERBS ephemerides were obtained for the Aug. 16 to 22, 1989, timeframe, during which intensive TDRSS tracking data for ERBS were available. Independent assessments were made to examine the consistencies of results obtained by the batch and sequential methods. Comparisons were made between the forward filtered RTOD/E orbit solutions and definitive GTDS orbit solutions for ERBS; the solution differences were less than 40 meters after the filter had reached steady state.

TDRSS-user orbit determination using batch least-squares and sequential methods

NASA Technical Reports Server (NTRS)

Oza, D. H.; Jones, T. L.; Hakimi, M.; Samii, Mina V.; Doll, C. E.; Mistretta, G. D.; Hart, R. C.

1993-01-01

The Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) commissioned Applied Technology Associates, Incorporated, to develop the Real-Time Orbit Determination/Enhanced (RTOD/E) system on a Disk Operating System (DOS)-based personal computer (PC) as a prototype system for sequential orbit determination of spacecraft. This paper presents the results of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft, Landsat-4, obtained using RTOD/E, operating on a PC, with the accuracy of an established batch least-squares system, the Goddard Trajectory Determination System (GTDS), and operating on a mainframe computer. The results of Landsat-4 orbit determination will provide useful experience for the Earth Observing System (EOS) series of satellites. The Landsat-4 ephemerides were estimated for the January 17-23, 1991, timeframe, during which intensive TDRSS tracking data for Landsat-4 were available. Independent assessments were made of the consistencies (overlap comparisons for the batch case and covariances and the first measurement residuals for the sequential case) of solutions produced by the batch and sequential methods. The forward-filtered RTOD/E orbit solutions were compared with the definitive GTDS orbit solutions for Landsat-4; the solution differences were less than 40 meters after the filter had reached steady state.

[Study of blending method for the extracts of herbal plants].

PubMed

Liu, Yongsuo; Cao, Min; Chen, Yuying; Hu, Yuzhu; Wang, Yiming; Luo, Guoan

2006-03-01

The irregularity in herbal plant composition is influenced by multiple factors. As for quality control of traditional Chinese medicine, the most critical challenge is to ensure the dosage content uniformity. This content uniformity can be improved by blending different batches of the extracts of herbal plants. Nonlinear least-squares regression was used to calculate the blending coefficient, which means no great absolute differences allowed for all ingredients. For traditional Chinese medicines, even relatively smaller differences could present to be very important for all the ingredients. The auto-scaling pretreatment was used prior to the calculation of the blending coefficients. The pretreatment buffered the characteristics of individual data for the ingredients in different batches, so an improved auto-scaling pretreatment method was proposed. With the improved auto-scaling pretreatment, the relative. differences decreased after blending different batches of extracts of herbal plants according to the reference samples. And the content uniformity control of the specific ingredients could be achieved by the error control coefficient. In the studies for the extracts of fructus gardeniae, the relative differences of all the ingredients is less than 3% after blending different batches of the extracts. The results showed that nonlinear least-squares regression can be used to calculate the blending coefficient of the herbal plant extracts.

Safety and reliability analysis in a polyvinyl chloride batch process using dynamic simulator-case study: Loss of containment incident.

PubMed

Rizal, Datu; Tani, Shinichi; Nishiyama, Kimitoshi; Suzuki, Kazuhiko

2006-10-11

In this paper, a novel methodology in batch plant safety and reliability analysis is proposed using a dynamic simulator. A batch process involving several safety objects (e.g. sensors, controller, valves, etc.) is activated during the operational stage. The performance of the safety objects is evaluated by the dynamic simulation and a fault propagation model is generated. By using the fault propagation model, an improved fault tree analysis (FTA) method using switching signal mode (SSM) is developed for estimating the probability of failures. The timely dependent failures can be considered as unavailability of safety objects that can cause the accidents in a plant. Finally, the rank of safety object is formulated as performance index (PI) and can be estimated using the importance measures. PI shows the prioritization of safety objects that should be investigated for safety improvement program in the plants. The output of this method can be used for optimal policy in safety object improvement and maintenance. The dynamic simulator was constructed using Visual Modeler (VM, the plant simulator, developed by Omega Simulation Corp., Japan). A case study is focused on the loss of containment (LOC) incident at polyvinyl chloride (PVC) batch process which is consumed the hazardous material, vinyl chloride monomer (VCM).

Comparison of ERBS orbit determination accuracy using batch least-squares and sequential methods

NASA Astrophysics Data System (ADS)

Oza, D. H.; Jones, T. L.; Fabien, S. M.; Mistretta, G. D.; Hart, R. C.; Doll, C. E.

1991-10-01

The Flight Dynamics Div. (FDD) at NASA-Goddard commissioned a study to develop the Real Time Orbit Determination/Enhanced (RTOD/E) system as a prototype system for sequential orbit determination of spacecraft on a DOS based personal computer (PC). An overview is presented of RTOD/E capabilities and the results are presented of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite System (TDRSS) user spacecraft obtained using RTOS/E on a PC with the accuracy of an established batch least squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. RTOD/E was used to perform sequential orbit determination for the Earth Radiation Budget Satellite (ERBS), and the Goddard Trajectory Determination System (GTDS) was used to perform the batch least squares orbit determination. The estimated ERBS ephemerides were obtained for the Aug. 16 to 22, 1989, timeframe, during which intensive TDRSS tracking data for ERBS were available. Independent assessments were made to examine the consistencies of results obtained by the batch and sequential methods. Comparisons were made between the forward filtered RTOD/E orbit solutions and definitive GTDS orbit solutions for ERBS; the solution differences were less than 40 meters after the filter had reached steady state.

Meeting Report: Batch-to-Batch Variability in Estrogenic Activity in Commercial Animal Diets—Importance and Approaches for Laboratory Animal Research

PubMed Central

Heindel, Jerrold J.; vom Saal, Frederick S.

2008-01-01

We report information from two workshops sponsored by the National Institutes of Health that were held to a) assess whether dietary estrogens could significantly impact end points in experimental animals, and b) involve program participants and feed manufacturers to address the problems associated with measuring and eliminating batch-to-batch variability in rodent diets that may lead to conflicting findings in animal experiments within and between laboratories. Data were presented at the workshops showing that there is significant batch-to-batch variability in estrogenic content of commercial animal diets, and that this variability results in differences in experimental outcomes. A combination of methods were proposed to determine levels of total estrogenic activity and levels of specific estrogenic constituents in soy-containing, casein-containing, and other soy-free rodent diets. Workshop participants recommended that researchers pay greater attention to the type of diet being used in animal studies and choose a diet whose estrogenic activity (or lack thereof) is appropriate for the experimental model and end points of interest. Information about levels of specific phytoestrogens, as well as estrogenic activity caused by other contaminants and measured by bioassay, should be disclosed in scientific publications. This will require laboratory animal diet manufacturers to provide investigators with information regarding the phytoestrogen content and other estrogenic compounds in commercial diets used in animal research. PMID:18335108

High cell density fed-batch fermentations for lipase production: feeding strategies and oxygen transfer.

PubMed

Salehmin, M N I; Annuar, M S M; Chisti, Y

2013-11-01

This review is focused on the production of microbial lipases by high cell density fermentation. Lipases are among the most widely used of the enzyme catalysts. Although lipases are produced by animals and plants, industrial lipases are sourced almost exclusively from microorganisms. Many of the commercial lipases are produced using recombinant species. Microbial lipases are mostly produced by batch and fed-batch fermentation. Lipases are generally secreted by the cell into the extracellular environment. Thus, a crude preparation of lipases can be obtained by removing the microbial cells from the fermentation broth. This crude cell-free broth may be further concentrated and used as is, or lipases may be purified from it to various levels. For many large volume applications, lipases must be produced at extremely low cost. High cell density fermentation is a promising method for low-cost production: it allows a high concentration of the biomass and the enzyme to be attained rapidly and this eases the downstream recovery of the enzyme. High density fermentation enhances enzyme productivity compared with the traditional submerged culture batch fermentation. In production of enzymes, a high cell density is generally achieved through fed-batch operation, not through perfusion culture which is cumbersome. The feeding strategies used in fed-batch fermentations for producing lipases and the implications of these strategies are discussed. Most lipase-producing microbial fermentations require oxygen. Oxygen transfer in such fermentations is discussed.

Meeting report: batch-to-batch variability in estrogenic activity in commercial animal diets--importance and approaches for laboratory animal research.

PubMed

Heindel, Jerrold J; vom Saal, Frederick S

2008-03-01

We report information from two workshops sponsored by the National Institutes of Health that were held to a) assess whether dietary estrogens could significantly impact end points in experimental animals, and b) involve program participants and feed manufacturers to address the problems associated with measuring and eliminating batch-to-batch variability in rodent diets that may lead to conflicting findings in animal experiments within and between laboratories. Data were presented at the workshops showing that there is significant batch-to-batch variability in estrogenic content of commercial animal diets, and that this variability results in differences in experimental outcomes. A combination of methods were proposed to determine levels of total estrogenic activity and levels of specific estrogenic constituents in soy-containing, casein-containing, and other soy-free rodent diets. Workshop participants recommended that researchers pay greater attention to the type of diet being used in animal studies and choose a diet whose estrogenic activity (or lack thereof) is appropriate for the experimental model and end points of interest. Information about levels of specific phytoestrogens, as well as estrogenic activity caused by other contaminants and measured by bioassay, should be disclosed in scientific publications. This will require laboratory animal diet manufacturers to provide investigators with information regarding the phytoestrogen content and other estrogenic compounds in commercial diets used in animal research.

Bacterial Adhesion under Static and Dynamic Conditions

PubMed Central

Rijnaarts, Huub H. M.; Norde, Willem; Bouwer, Edward J.; Lyklema, Johannes; Zehnder, Alexander J. B.

1993-01-01

The deposition of various pseudomonads and coryneform bacteria with different hydrophobicities (water contact angles) and negative cell surface charges on negatively charged Teflon and glass surfaces was investigated. The levels of deposition varied between 5.0 × 104 and 1.6 × 107 cells cm-2 and between 5.0 × 104 and 3.6 × 107 cells cm-2 for dynamic column and static batch systems, respectively, indicating that there was a wide variation in physicochemical interactions. Batch and column results were compared in order to better distinguish between hydrodynamic and other system-dependent influences and method-independent physicochemical interactions. Despite the shorter suspension-solid contact time in columns (1 h) than in batch systems (4 h), the level of deposition (expressed as the number of cells that adhered) divided by the applied ambient cell concentration was 4.12 ± 1.63 times higher in columns than in batch sytems for 15 of 22 strain-surface combinations studied. This demonstrates that transport of microbial particles from bulk liquid to surfaces is more efficient in dynamic columns (transport dominated by convection and diffusion) than in static batch systems (transport by diffusion only). The relative constancy of this ratio for the 15 combinations shows that physicochemical interactions affect adhesion similarly in the two systems. The deviating deposition behavior of the other seven strain-surface combinations could be attributed to method-dependent effects resulting from specific cell characteristics (e.g., to the presence of capsular polymers, to an ability to aggregate, to large cell sizes, or to a tendency to desorb after passage through an air-liquid interface). Images PMID:16349063

Quest for postdialysis urea rebound-equilibrated Kt/V with only intradialytic urea samples.

PubMed

Jean, G; Charra, B; Chazot, C; Laurent, G

1999-09-01

Postdialysis urea rebound (PDUR) is a cause of Kt/V overestimation when it is calculated from predialysis and the immediate postdialysis blood urea collections. Measuring PDUR requires a 30- or 60-minute postdialysis sampling, which is inconvenient. Several methods had been devised for a reasonable approach to determine PDUR-equilibrated Kt/V in short dialysis without the need for a delayed sample. The aim of our study was to compare these different Kt/V methods during the longer eight-hour hemodialysis sessions, and to determine the optimum intradialytic urea sample time that fits best with PDUR. The study included 21 patients (mean age 71.9 years) who were hemodialyzed for 60+/-60 months at three times eight hours weekly, using bicarbonate dialysate and cellulosic membranes. Blood urea samples were obtained at onset, and then at 17, 33, 50, 66, 75, 80, 85, and 100% of the dialysis session times, after 30 seconds of low flow, and then at 60-minutes postdialysis. All patients had a meal during dialysis. We compared four different formulas of Kt/V [(a) Kt/V-Smye with a 33% dialysis time urea sample, (b) two-pool equilibrated eKt/V, (c) Kt/V-std (Daugirdas-2) obtained with an immediate postdialytic sample, and (d) the different intradialytic urea samples for Kt/V (50, 66, 75, 80, and 85% of dialysis time)] with the equilibrated 60-minute PDUR Kt/V (Kt/V-r-60) formula as the reference method. The mean PDUR was 17.2+/-9%, leading to an overestimation of Kt/V-std by 12.2%. Kt/V-r-60 was 1.68+/-0.34. Kt/V-std was 1.88+/-0.36 (Delta = 12.2+/-4.8%, r = 0.8). eKt/V was 1.77+/-0.3 (Delta = 5+/-5%, r = 0.96), and Kt/V-Smye was 1.79+/-0.47 (Delta = 5.2+/-14%, r = 0.9). The best time for the intradialytic sampling was 80% (that is, at 6 hr and 24 min). The Kt/V-80 was 1.64+/-0.3 and was best fitted with Kt/V-r-60 (Delta = -1.8+/-8%, r = 0.91). The mean intradialytic urea evolution showed a three-exponential rate, in discrepancy with the two-exponential rate theoretical model. These results confirm that a significant postdialysis rebound exists in an eight-hour dialysis. An intradialytic urea sample taken at 80% of the total session time permits an estimation of the 60-minute Kt/V-rebound without the necessity of taking a delayed sample, with better accuracy than eKt/V or especially Kt/V-Smye. This may be related to a particular urea kinetics curve on the longer dialysis duration, which needs to be studied further.

The equilibrated state of freezing as a basis for distinguishing lethal stresses of freezing in plants

USDA-ARS?s Scientific Manuscript database

A model for coordination of stresses that limit winterhardiness in plants based on the thermodynamic equilibrated state of freezing and melting provides a rational basis for distinction of freeze-induced energies which can stress and injure living organisms in various ways. The departure from equili...

Selective Equilibration of Spin-Polarized Quantum Hall Edge States in Graphene

NASA Astrophysics Data System (ADS)

Amet, F.; Williams, J. R.; Watanabe, K.; Taniguchi, T.; Goldhaber-Gordon, D.

2014-05-01

We report on transport measurements of dual-gated, single-layer graphene devices in the quantum Hall regime, allowing for independent control of the filling factors in adjoining regions. Progress in device quality allows us to study scattering between edge states when the fourfold degeneracy of the Landau level is lifted by electron correlations, causing edge states to be spin and/or valley polarized. In this new regime, we observe a dramatic departure from the equilibration seen in more disordered devices: edge states with opposite spins propagate without mixing. As a result, the degree of equilibration inferred from transport can reveal the spin polarization of the ground state at each filling factor. In particular, the first Landau level is shown to be spin polarized at half filling, providing an independent confirmation of a conclusion of Young et al. [Nat. Phys. 8, 550 (2012)]. The conductance in the bipolar regime is strongly suppressed, indicating that copropagating edge states, even with the same spin, do not equilibrate along PN interfaces. We attribute this behavior to the formation of an insulating ν =0 stripe at the PN interface.

Petit-spot as definitive evidence for partial melting in the asthenosphere caused by CO2

PubMed Central

Machida, Shiki; Kogiso, Tetsu; Hirano, Naoto

2017-01-01

The deep carbon cycle plays an important role on the chemical differentiation and physical properties of the Earth's mantle. Especially in the asthenosphere, seismic low-velocity and high electrical conductivity due to carbon dioxide (CO2)-induced partial melting are expected but not directly observed. Here we discuss the experimental results relevant to the genesis of primitive CO2-rich alkali magma forming petit-spot volcanoes at the deformation front of the outer rise of the northwestern Pacific plate. The results suggest that primitive melt last equilibrated with depleted peridotite at 1.8–2.1 GPa and 1,280–1,290 °C. Although the equilibration pressure corresponds to the pressure of the lower lithosphere, by considering an equilibration temperature higher than the solidus in the volatile–peridotite system along with the temperature of the lower lithosphere, we conclude that CO2-rich silicate melt is always produced in the asthenosphere. The melt subsequently ascends into and equilibrates with the lower lithosphere before eruption. PMID:28148927

Solid-phase microextraction of methadone in urine samples by electrochemically co-deposited sol-gel/Cu nanocomposite fiber.

PubMed

Mohammadiazar, Sirwan; Hasanli, Fateme; Maham, Mehdi; Payami Samarin, Somayeh

2017-08-01

Electrochemically co-deposited sol-gel/Cu nanocomposites have been introduced as a novel, simple and single-step technique for preparation of solid-phase microextraction (SPME) coating to extract methadone (MDN) (a synthetic opioid) in urine samples. The porous surface structure of the sol-gel/Cu nanocomposite coating was revealed by scanning electron microscopy. Direct immersion SPME followed by HPLC-UV determination was employed. The factors influencing the SPME procedure, such as the salt content, desorption solvent type, pH and equilibration time, were optimized. The best conditions were obtained with no salt content, acetonitrile as desorption solvent type, pH 9 and 10 min equilibration time. The calibration graphs for urine samples showed good linearity. The detection limit was about 0.2 ng mL -1 . Also, the novel method for preparation of nanocomposite fiber was compared with previously reported techniques for MDN determination. The results show that the novel nanocomposite fiber has relatively high extraction efficiency. Copyright © 2016 John Wiley & Sons, Ltd.

Global variation of the para hydrogen fraction in Jupiter's atmosphere and implications for dynamics on the outer planets

NASA Technical Reports Server (NTRS)

Conrath, B. J.; Gierasch, P. J.

1984-01-01

A detailed analysis of the Voyager infrared spectrometer measurements on Jupiter's atmosphere is presented, and possible implications of para hydrogen disequilibrium for the energetics and dynamics of that atmosphere are examined. The method of data analysis is described, and results for the large scale latitude variation of the para hydrogen fraction are presented. The Jovian results show pronounced latitude variation, and are compared with other parameters including wind fields, thermal structure, and various indicators of atmospheric clouds. The problem of equilibration rate is reexamined, and it is concluded that on Jupiter the equilibration time is longer than the radiative time constant at the level of emission to space, but that this inequality reverses at greater depths. A model for the interaction of fluid motions with the ortho-para conversion process is presented, and a consistent mixing length theory for the reacting ortho-para mixture is developed. Several implications of the Jovian data for atmospheric energetics and stability on the outer planets are presented.

Twin defects in thick stoichiometric lithium tantalate crystals prepared by a vapor transport equilibration method

NASA Astrophysics Data System (ADS)

Yang, Jinfeng; Sun, Jun; Xu, Jingjun; Li, Qinglian; Shang, Jifang; Zhang, Ling; Liu, Shiguo; Huang, Cunxin

2016-01-01

The twins were observed and investigated in vapor transport equilibration (VTE) treated lithium tantalate crystals by burying congruent lithium tantalate crystals (CLT) in a Li-rich polycrystalline powder. Twins and their etched patterns were observed under an optical polarizing microscope, and the geometry of the twins was discussed. Twin composition planes were the { 01 1 bar 2 } planes. The cause of twinning was analyzed and verified by experiment. The results indicate that the emergence of twins is due to sintering stress, which arises from sintered Li-rich polycrystalline powders at high temperature. 3.2 mm thick stoichiometric lithium tantalate (SLT) crystals without twins were obtained by setting corundum crucibles over the top of the crystals to make crystals free from the sintering stress. In addition, cracks were observed at the intersection of twin bands, and the stress caused by the dislocation pile-up was considered to be the reason for the formation of cracks.

Illinois basin coal fly ashes. 2. Equilibria relationships and qualitative modeling of ash-water reactions

USGS Publications Warehouse

Roy, W.R.; Griffin, R.A.

1984-01-01

Alkaline and acidic Illinois Basin coal fly ash samples were each mixed with deionized water and equilibrated for about 140 days to simulate ash ponding environments. Common to both equilibrated solutions, anhydrite solubility dominated Ca2+ activities, and Al3+ activities were in equilibrium with both matrix mullite and insoluble aluminum hydroxide phases. Aqueous silica activities were controlled by both mullite and matrix silicates. The pH of the extract of the acidic fly ash was 4.1 after 24 h but increased to a pH value of 6.4 as the H2SO4, assumed to be adsorbed to the particle surfaces, was exhausted by the dissolution of matrix iron oxides and aluminosilicates. The activities of aqueous Al3+ and iron, initially at high levels during the early stages of equilibration, decreased to below analytical detection limits as the result of the formation of insoluble Fe and Al hydroxide phases. The pH of the extract of the alkaline fly ash remained above a pH value of 10 during the entire equilibration interval as a result of the hydrolysis of matrix oxides. As with the acidic system, Al3+ activities were controlled by amorphous aluminum hydroxide phases that began to form after about 7 days of equilibration. The proposed mechanisms and their interrelations are discussed in addition to the solubility diagrams used to deduce these relationships. ?? 1984 American Chemical Society.

Evaluation of intensity drift correction strategies using MetaboDrift, a normalization tool for multi-batch metabolomics data.

PubMed

Thonusin, Chanisa; IglayReger, Heidi B; Soni, Tanu; Rothberg, Amy E; Burant, Charles F; Evans, Charles R

2017-11-10

In recent years, mass spectrometry-based metabolomics has increasingly been applied to large-scale epidemiological studies of human subjects. However, the successful use of metabolomics in this context is subject to the challenge of detecting biologically significant effects despite substantial intensity drift that often occurs when data are acquired over a long period or in multiple batches. Numerous computational strategies and software tools have been developed to aid in correcting for intensity drift in metabolomics data, but most of these techniques are implemented using command-line driven software and custom scripts which are not accessible to all end users of metabolomics data. Further, it has not yet become routine practice to assess the quantitative accuracy of drift correction against techniques which enable true absolute quantitation such as isotope dilution mass spectrometry. We developed an Excel-based tool, MetaboDrift, to visually evaluate and correct for intensity drift in a multi-batch liquid chromatography - mass spectrometry (LC-MS) metabolomics dataset. The tool enables drift correction based on either quality control (QC) samples analyzed throughout the batches or using QC-sample independent methods. We applied MetaboDrift to an original set of clinical metabolomics data from a mixed-meal tolerance test (MMTT). The performance of the method was evaluated for multiple classes of metabolites by comparison with normalization using isotope-labeled internal standards. QC sample-based intensity drift correction significantly improved correlation with IS-normalized data, and resulted in detection of additional metabolites with significant physiological response to the MMTT. The relative merits of different QC-sample curve fitting strategies are discussed in the context of batch size and drift pattern complexity. Our drift correction tool offers a practical, simplified approach to drift correction and batch combination in large metabolomics studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Anti-A and anti-B hemagglutinin depletion during Cohn purification process of 5% immunoglobulin.

PubMed

Salvatore, Alfonso; Esin, Semih; Batoni, Giovanna; Ascione, Ester; Farina, Claudio; Nardini, Claudia

2015-07-01

Polyvalent immunoglobulin G (IgG) products obtained by fractionation of human plasma are widely used to treat a broad range of conditions, including immunodeficiency syndromes and autoimmune, inflammatory, and infectious diseases. For high-quality products and to minimize adverse events related to the use of intravenous IgG (IVIG) it is very important to perform detailed analyses of their components. One of these components, that in rare cases can cause severe hemolytic conditions, is the amount of hemagglutinins, natural antibodies that bind A and/or B (anti-A or -B) antigens present in red blood cells (RBCs). To characterize different IgG batches and to monitor the efficacy of the production procedure in the hemagglutinin reduction, a direct agglutination test (DAT) and a new flow cytometry (FC)-based assay were used for measuring the activity and the content of hemagglutinins in IgG samples obtained at different stages of the purification process. A total of 113 batches of 5% IVIG, produced in 2013 by Kedrion Biopharma, were analyzed for the ability to agglutinate RBCs by DAT. All batches tested were within the limits set by the European Pharmacopoeia. Three batches of 5% IVIG were analyzed for their hemagglutinin levels. The finished products and the production intermediates were evaluated by the DAT and the FC assay. A significant decrease of anti-A and anti-B titer after the Fraction (F)III precipitation was observed in all batches tested and an evaluation of the results obtained by the two methods was performed. This study shows that the hemagglutinin titer, accurately measured in a high number of 5% IVIG batches, is within the allowed limits for the DAT method. The specific production process employed, in particular the FIII precipitation step, successfully removes IgM and significantly reduces IgG class hemagglutinins. © 2015 AABB.

Group II Xenoliths from Lunar Crater Volcanic Field, Central Nevada: Evidence for a Kinked Geotherm

NASA Astrophysics Data System (ADS)

Roden, M.; Mosely, J.; Norris, J.

2015-12-01

Group II xenoliths associated with the 140 Ka Easy Chair Crater, Lunar Crater volcanic field, NV, consist of amphibole rich-inclusions including amphibolites, pyroxenites, and gabbros. Abundant minerals in these inclusions are kaersutite, aluminous (7.3-9.7 wt% Al2O3), calcic clinopyroxene, primarily diopside, and olivine (Mg# 69-73) with accessory spinel, sulfide and apatite. Although most apatites are fluor-hydroxyapatite solid solutions, one xenolith contains Cl- and OH-rich apatite suggesting that Cl may have been an important constituent in the parent magma(s) . The xenoliths show abundant evidence for equilibration at relatively low temperatures including amphibole and orthopyroxene exsolution in clinopyroxene, and granules of magnetite in hercynite hosts. If latter texture is due to exsolution, then this particular Group II xenolith equilibrated at temperatures near or below 500oC or at a depth of about 15 km along a conductive geotherm. It may be that all the Group II xenoliths equilibrated at low temperatures given the abundant exsolution textures although Fe-Mg exchange relations suggest equilibration at temperatures in excess of 800oC. Low equilibration temperatures are in conflict with the unusually high equilibration temperatures, >1200oC (Smith, 2000) displayed by Group I xenoliths from this same volcanic field. Taken at face value, the geothermometric results indicate unusually high temperatures in the upper mantle, normal temperatures in the crust and the possibility of a kinked geotherm in the region. Curiously the LCVF lies in an area of "normal" heat flow, south of the Battle Mountain area of high heat flow but the number of heat flow measurements in the Lunar Crater area is very low (Humphreys et al., 2003; Sass, 2005). References: Humphreys et al., 2003, Int. Geol. Rev. 45: 575; Sass et al., 2005, http://pubs.usgs.gov/of/2005/1207/; Smith, 2000, JGR 105: 16769.

Tolerance of brown bear spermatozoa to conditions of pre-freezing cooling rate and equilibration time.

PubMed

López-Urueña, E; Alvarez, M; Gomes-Alves, S; Martínez-Rodríguez, C; Borragan, S; Anel-López, L; de Paz, P; Anel, L

2014-06-01

Specific protocols for the cryopreservation of endangered Cantabrian brown bear spermatozoa are critical to create a genetic resource bank. The aim of this study was to assess the effect of cooling rates and equilibration time before freezing on post-thawed brown bear spermatozoa quality. Electroejaculates from 11 mature bears were extended to 100 × 10(6) spermatozoa/mL in a TES-Tris-Fructose-based extender, cryopreserved following performance of the respective cooling/equilibration protocol each sample was assigned to, and stored at -196 °C for further assessment. Before freezing, after thawing, and after 1 hour's incubation post-thawing at 37 °C (thermal stress test), the quality of the samples was assessed for motility by computer-assisted semen analysis, and for viability (SYBR-14/propidium iodide), acrosomal status (peanut agglutinin-fluorescein isothiocyanate /propidium iodide), and sperm chromatin stability (SCSA) by flow cytometry. In experiment 1, three cooling rates (0.25 °C/min, 1 °C/min, and 4 °C/min) to 5 °C were assessed. After thawing, total motility (%TM) was higher and percentage of damaged acrosomes (%dACR) was lower (P < 0.05) for 0.25 °C/min than for 4 °C/min. The thermal stress test data indicated equally poor quality (P < 0.05) for the 4 °C/min cooled samples in viability (%VIAB), %dACR, %TM, and progressive motility (%PM). In experiment 2, the effect of a pre-freezing equilibration period at 5 °C for 1 hour (cooling at 0.25 °C/min) was evaluated. Samples kept at 5 °C for 1 hour showed higher (P < 0.05) values than the nonequilibrated ones for both thawing (%dACR) and thermal stress test (%VIAB, %TM, and %PM). In experiment 3, samples stored without cooling and equilibration (direct freezing) were compared with the samples cooled at 0.25 °C/min and equilibrated for 1 hour (control freezing). Using thermal stress test, we observed that direct freezing causes damage in viability, acrosomal status, and motility of spermatozoa compared with the control group (P < 0.05). In conclusion, our results suggest that slow cooling rates to 5 °C and at least 1 hour equilibration time are necessary for the effective cryopreservation of brown bear sperm. Copyright © 2014 Elsevier Inc. All rights reserved.

Removal of furan and phenolic compounds from simulated biomass hydrolysates by batch adsorption and continuous fixed-bed column adsorption methods.

PubMed

Lee, Sang Cheol; Park, Sunkyu

2016-09-01

It has been proposed to remove all potential inhibitors and sulfuric acid in biomass hydrolysates generated from dilute-acid pretreatment of biomass, based on three steps of sugar purification process. This study focused on its first step in which furan and phenolic compounds were selectively removed from the simulated hydrolysates using activated charcoal. Batch adsorption experiments demonstrated that the affinity of activated charcoal for each component was highest in the order of vanillic acid, 4-hydroxybenzoic acid, furfural, acetic acid, sulfuric acid, and xylose. The affinity of activated charcoal for furan and phenolic compounds proved to be significantly higher than that of the other three components. Four separation strategies were conducted with a combination of batch adsorption and continuous fixed-bed column adsorption methods. It was observed that xylose loss was negligible with near complete removal of furan and phenolic compounds, when at least one fixed-bed column adsorption was implemented in the strategy. Copyright © 2016 Elsevier Ltd. All rights reserved.

"Batch" kinetics in flow: online IR analysis and continuous control.

PubMed

Moore, Jason S; Jensen, Klavs F

2014-01-07

Currently, kinetic data is either collected under steady-state conditions in flow or by generating time-series data in batch. Batch experiments are generally considered to be more suitable for the generation of kinetic data because of the ability to collect data from many time points in a single experiment. Now, a method that rapidly generates time-series reaction data from flow reactors by continuously manipulating the flow rate and reaction temperature has been developed. This approach makes use of inline IR analysis and an automated microreactor system, which allowed for rapid and tight control of the operating conditions. The conversion/residence time profiles at several temperatures were used to fit parameters to a kinetic model. This method requires significantly less time and a smaller amount of starting material compared to one-at-a-time flow experiments, and thus allows for the rapid generation of kinetic data. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simultaneous Detection of Flavonoids, Phenolic Acids and Alkaloids in Abri Herba and Abri Mollis Herba using Liquid Chromatography Tandem Mass Spectrometry.

PubMed

Yan, Wenying; Han, Qingjie; Guo, Panpan; Wang, Chunying; Zhang, Zijian

2016-01-01

Abri Herba has remarkable properties, such as cleanup heat detoxification, dampness and activating blood circulation to dissipate blood stasis; as a result, it has been applied to treat acute or chronic hepatitis and mastitis. Abri mollis Herba is often used as Abri Herba. Hierarchical cluster analysis (HCA) was applied to compare the similarities and differences of the chemical compositions in the two types of medicinal materials. To establish a high-performance liquid chromatography and tandem mass spectrometry (HPLC-MS/MS) method for the simultaneous analysis of 15 flavonoids, two phenolic acids and three alkaloids in Abri Herba and Abri mollis Herba. The chromatographic separation was performed on a C18 column with a mobile phase of methanol (A), acetonitrile (B) and 0.5‰ acetic acid in water (C) using gradient elution. The detection of the target compounds was performed in multiple-reaction monitoring (MRM) mode using a hybrid quadrupole linear ion trap mass spectrometer equipped with positive/negative ion-switching electrospray ionisation (ESI) source. The developed method is reliable, sensitive and specific. In addition, the method has been successfully applied to differentiate 15 batches of Abri Herba and 27 batches of Abri mollis Herba stems. Furthermore, a comparison of the contents among stems, roots and leaves from the same strain in seven batches of Abri mollis Herba and four batches of Abri Herba has also been performed. HPLC-MS/MS method is sensitive and selective and can be suitable for the reliable quality control of Abri mollis Herba and Abri Herba. Copyright © 2015 John Wiley & Sons, Ltd.

40 CFR Appendix J to Part 50 - Reference Method for the Determination of Particulate Matter as PM10 in the Atmosphere

Code of Federal Regulations, 2014 CFR

2014-07-01

... size fraction in the PM1O size range is then collected on a separate filter over the specified sampling... Each filter is weighed (after moisture equilibration) before and after use to determine the net weight... of the mass concentration range is determined by the repeatability of filter tare weights, assuming...

40 CFR Appendix J to Part 50 - Reference Method for the Determination of Particulate Matter as PM10 in the Atmosphere

Code of Federal Regulations, 2012 CFR

2012-07-01

... size fraction in the PM1O size range is then collected on a separate filter over the specified sampling... Each filter is weighed (after moisture equilibration) before and after use to determine the net weight... of the mass concentration range is determined by the repeatability of filter tare weights, assuming...

40 CFR Appendix J to Part 50 - Reference Method for the Determination of Particulate Matter as PM10 in the Atmosphere

Code of Federal Regulations, 2013 CFR

2013-07-01

... size fraction in the PM1O size range is then collected on a separate filter over the specified sampling... Each filter is weighed (after moisture equilibration) before and after use to determine the net weight... of the mass concentration range is determined by the repeatability of filter tare weights, assuming...

Petrology of 60035 - Evolution of a polymict ANT breccia

NASA Technical Reports Server (NTRS)

Warner, R. D.; Taylor, G. J.; Keil, K.

1980-01-01

Extensive analysis of the lunar rock sample 60035 with optical microscopy and electron microprobe methods show it to be a polymict ANT breccia partly coated with glass, containing abundant clasts which have troctolitic/noritic anorthosite compositions. At least two episodes of crushing and mixing were involved in the petrogenesis of 60035, and annealing and mineral equilibration have not been extensive since the formation of the breccia.

Dynamic Resource Allocation to Improve Service Performance in Order Fulfillment Systems

DTIC Science & Technology

2009-01-01

efficient system uses economies of scale at two points: orders are batched before processing, which reduces processing costs, and processed or- ders ...the ef- fects of batching on order picking processes is well-researched and well-understood ( van den Berg and Gademann, 1999). Because orders are...a final so- journ time distribution. Our work builds on existing research in matrix-geometric methods by Neuts (1981), Asmussen and M0ller (2001

The Doubly Labeled Water Method for Measuring Human Energy Expenditure: Adaptations for Spaceflight

NASA Technical Reports Server (NTRS)

Schulz, Leslie O.

1991-01-01

It is essential to determine human energy requirements in space, and the doubly labeled water method has been identified as the most appropriate means of indirect calorimetry to meet this need. The method employs naturally occurring, stable isotopes of hydrogen (H-2, deuterium) and oxygen (O-18) which, after dosing, mix with body water. The deuterium is lost from the body as water while the O-18 is eliminated as both water and CO2. The difference between the two isotope elimination rates is therefore a measure of CO2 production and hence energy expenditure. Spaceflight will present a unique challenge to the application of the doubly labeled water method. Specifically, interpretation of doubly labeled water results assumes that the natural abundance or 'background' levels of the isotopes remain constant during the measurement interval. To address this issue, an equilibration model will be developed in an ongoing ground-based study. As energy requirements of women matched to counterparts in the Astronauts Corps are being determined by doubly labeled water, the baseline isotope concentration will be changed by consumption of 'simulated Shuttle water' which is artificially enriched. One group of subjects will be equilibrated on simulated Shuttle water prior to energy determinations by doubly labeled water while the others will consume simulated Shuttle water after dosing. This process will allow us to derive a prediction equation to mathematically model the effect of changing background isotope concentrations.

Oxygen isotopes in nitrite: Analysis, calibration, and equilibration

USGS Publications Warehouse

Casciotti, K.L.; Böhlke, J.K.; McIlvin, M.R.; Mroczkowski, S.J.; Hannon, J.E.

2007-01-01

Nitrite is a central intermediate in the nitrogen cycle and can persist in significant concentrations in ocean waters, sediment pore waters, and terrestrial groundwaters. To fully interpret the effect of microbial processes on nitrate (NO3-), nitrite (NO2-), and nitrous oxide (N2O) cycling in these systems, the nitrite pool must be accessible to isotopic analysis. Furthermore, because nitrite interferes with most methods of nitrate isotopic analysis, accurate isotopic analysis of nitrite is essential for correct measurement of nitrate isotopes in a sample that contains nitrite. In this study, nitrite salts with varying oxygen isotopic compositions were prepared and calibrated and then used to test the denitrifier method for nitrite oxygen isotopic analysis. The oxygen isotopic fractionation during nitrite reduction to N2O by Pseudomonas aureofaciens was lower than for nitrate conversion to N2O, while oxygen isotopic exchange between nitrite and water during the reaction was similar. These results enable the extension of the denitrifier method to oxygen isotopic analysis of nitrite (in the absence of nitrate) and correction of nitrate isotopes for the presence of nitrite in “mixed” samples. We tested storage conditions for seawater and freshwater samples that contain nitrite and provide recommendations for accurate oxygen isotopic analysis of nitrite by any method. Finally, we report preliminary results on the equilibrium isotope effect between nitrite and water, which can play an important role in determining the oxygen isotopic value of nitrite where equilibration with water is significant.

[Simultaneous quantitative analysis of five alkaloids in Sophora flavescens by multi-components assay by single marker].

PubMed

Chen, Jing; Wang, Shu-Mei; Meng, Jiang; Sun, Fei; Liang, Sheng-Wang

2013-05-01

To establish a new method for quality evaluation and validate its feasibilities by simultaneous quantitative assay of five alkaloids in Sophora flavescens. The new quality evaluation method, quantitative analysis of multi-components by single marker (QAMS), was established and validated with S. flavescens. Five main alkaloids, oxymatrine, sophocarpine, matrine, oxysophocarpine and sophoridine, were selected as analytes to evaluate the quality of rhizome of S. flavescens, and the relative correction factor has good repeatibility. Their contents in 21 batches of samples, collected from different areas, were determined by both external standard method and QAMS. The method was evaluated by comparison of the quantitative results between external standard method and QAMS. No significant differences were found in the quantitative results of five alkaloids in 21 batches of S. flavescens determined by external standard method and QAMS. It is feasible and suitable to evaluate the quality of rhizome of S. flavescens by QAMS.

Removal of sodium chloride from human urine via batch recirculation electrodialysis at constant applied voltage

NASA Technical Reports Server (NTRS)

Gordils-Striker, Nilda E.; Colon, Guillermo

2003-01-01

The removal of sodium chloride (NaCl) from human urine using a six-compartment electrodialysis cell with batch recirculation mode of operation for use in advanced life support systems (ALSS) was studied. From the results obtained, batch recirculation at constant applied voltage yields high values (approximately 94% of NaCl removal. Based on the results, the initial rate of NaCl removal was correlated to a power function of the applied voltage: -r=2.0 x 10(-4)E(3.8). With impedance spectroscopy methods, it was also found that the anion membranes were more affected by fouling with an increase of the ohmic resistance of almost 11% compared with 7.4% for the cationic ones.

Slow equilibration of reversed-phase columns for the separation of ionized solutes.

PubMed

Marchand, D H; Williams, L A; Dolan, J W; Snyder, L R

2003-10-10

Reversed-phase columns that have been stored in buffer-free solvents can exhibit pronounced retention-time drift when buffered, low-pH mobile phases are used with ionized solutes. Whereas non-ionized compounds exhibit constant retention times within 20 min of the beginning of mobile phase flow, the retention of ionized compounds can continue to change (by 20% or more) for several hours. If mobile phase pH is changed from low to high and back again, an even longer time may be required before the column reaches equilibration at low pH. The speed of column equilibration for ionized solutes can vary significantly among different reversed-phase columns and is not affected by flow rate.

Equilibration, thermalisation, and the emergence of statistical mechanics in closed quantum systems

NASA Astrophysics Data System (ADS)

Gogolin, Christian; Eisert, Jens

2016-05-01

We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.

Generic equilibration dynamics of planar defects in trapped atomic superfluids

DOE PAGES

Scherpelz, Peter; Padavić, Karmela; Murray, Andy; ...

2015-03-18

Here, we investigate equilibration processes shortly after sudden perturbations are applied to ultracold trapped superfluids. We show the similarity of phase imprinting and localized density depletion perturbations, both of which initially are found to produce “phase walls”. These planar defects are associated with a sharp gradient in the phase. Importantly they relax following a quite general sequence. Our studies, based on simulations of the complex time-dependent Ginzburg-Landau equation, address the challenge posed by these experiments: how a superfluid eventually eliminatesa spatially extended planar defect. The processes involved are necessarily more complex than equilibration involving simpler line vortices. An essential mechanismmore » form relaxation involves repeated formation and loss of vortex rings near the trap edge.« less

Equilibration, thermalisation, and the emergence of statistical mechanics in closed quantum systems.

PubMed

Gogolin, Christian; Eisert, Jens

2016-05-01

We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.

Interlaboratory Validation of the Leaching Environmental Assessment Framework (LEAF) Method 1313 and Method 1316

EPA Science Inventory

This document summarizes the results of an interlaboratory study conducted to generate precision estimates for two parallel batch leaching methods which are part of the Leaching Environmental Assessment Framework (LEAF). These methods are: (1) Method 1313: Liquid-Solid Partition...

A combined database related and de novo MS-identification of yeast mannose-1-phosphate guanyltransferase PSA1 interaction partners at different phases of batch cultivation

NASA Astrophysics Data System (ADS)

Parviainen, Ville; Joenväärä, Sakari; Peltoniemi, Hannu; Mattila, Pirkko; Renkonen, Risto

2009-04-01

Mass spectrometry-based proteomic research has become one of the main methods in protein-protein interaction research. Several high throughput studies have established an interaction landscape of exponentially growing Baker's yeast culture. However, many of the protein-protein interactions are likely to change in different environmental conditions. In order to examine the dynamic nature of the protein interactions we isolated the protein complexes of mannose-1-phosphate guanyltransferase PSA1 from Saccharomyces cerevisiae at four different time points during batch cultivation. We used the tandem affinity purification (TAP)-method to purify the complexes and subjected the tryptic peptides to LC-MS/MS. The resulting peak lists were analyzed with two different methods: the database related protein identification program X!Tandem and the de novo sequencing program Lutefisk. We observed significant changes in the interactome of PSA1 during the batch cultivation and identified altogether 74 proteins interacting with PSA1 of which only six were found to interact during all time points. All the other proteins showed a more dynamic nature of binding activity. In this study we also demonstrate the benefit of using both database related and de novo methods in the protein interaction research to enhance both the quality and the quantity of observations.

Determination of Trace Level Iodine in Biological and Botanical Reference Materials by Isotope Dilution Mass Spectrometry

PubMed Central

Gramlich, John W.; Murphy, Thomas J.

1989-01-01

A method has been developed for the determination of trace level iodine in biological and botanical materials. The method consists of spiking a sample with 129I, equilibration of the spike with the natural iodine, wet ashing under carefully controlled conditions, and separation of the iodine by co-precipitation with silver chloride. Measurement of the 129I/127I ratio is accomplished by negative thermal ionization mass spectrometry using LaB6 for ionization enhancement. The application of the method to the certification of trace iodine in two Standard Reference Materials is described. PMID:28053411

Stratified randomization controls better for batch effects in 450K methylation analysis: a cautionary tale

PubMed Central

Buhule, Olive D.; Minster, Ryan L.; Hawley, Nicola L.; Medvedovic, Mario; Sun, Guangyun; Viali, Satupaitea; Deka, Ranjan; McGarvey, Stephen T.; Weeks, Daniel E.

2014-01-01

Background: Batch effects in DNA methylation microarray experiments can lead to spurious results if not properly handled during the plating of samples. Methods: Two pilot studies examining the association of DNA methylation patterns across the genome with obesity in Samoan men were investigated for chip- and row-specific batch effects. For each study, the DNA of 46 obese men and 46 lean men were assayed using Illumina's Infinium HumanMethylation450 BeadChip. In the first study (Sample One), samples from obese and lean subjects were examined on separate chips. In the second study (Sample Two), the samples were balanced on the chips by lean/obese status, age group, and census region. We used methylumi, watermelon, and limma R packages, as well as ComBat, to analyze the data. Principal component analysis and linear regression were, respectively, employed to identify the top principal components and to test for their association with the batches and lean/obese status. To identify differentially methylated positions (DMPs) between obese and lean males at each locus, we used a moderated t-test. Results: Chip effects were effectively removed from Sample Two but not Sample One. In addition, dramatic differences were observed between the two sets of DMP results. After “removing” batch effects with ComBat, Sample One had 94,191 probes differentially methylated at a q-value threshold of 0.05 while Sample Two had zero differentially methylated probes. The disparate results from Sample One and Sample Two likely arise due to the confounding of lean/obese status with chip and row batch effects. Conclusion: Even the best possible statistical adjustments for batch effects may not completely remove them. Proper study design is vital for guarding against spurious findings due to such effects. PMID:25352862

Transfer of a three step mAb chromatography process from batch to continuous: Optimizing productivity to minimize consumable requirements.

PubMed

Gjoka, Xhorxhi; Gantier, Rene; Schofield, Mark

2017-01-20

The goal of this study was to adapt a batch mAb purification chromatography platform for continuous operation. The experiments and rationale used to convert from batch to continuous operation are described. Experimental data was used to design chromatography methods for continuous operation that would exceed the threshold for critical quality attributes and minimize the consumables required as compared to batch mode of operation. Four unit operations comprising of Protein A capture, viral inactivation, flow-through anion exchange (AEX), and mixed-mode cation exchange chromatography (MMCEX) were integrated across two Cadence BioSMB PD multi-column chromatography systems in order to process a 25L volume of harvested cell culture fluid (HCCF) in less than 12h. Transfer from batch to continuous resulted in an increase in productivity of the Protein A step from 13 to 50g/L/h and of the MMCEX step from 10 to 60g/L/h with no impact on the purification process performance in term of contaminant removal (4.5 log reduction of host cell proteins, 50% reduction in soluble product aggregates) and overall chromatography process yield of recovery (75%). The increase in productivity, combined with continuous operation, reduced the resin volume required for Protein A and MMCEX chromatography by more than 95% compared to batch. The volume of AEX membrane required for flow through operation was reduced by 74%. Moreover, the continuous process required 44% less buffer than an equivalent batch process. This significant reduction in consumables enables cost-effective, disposable, single-use manufacturing. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Visible‐Light‐Mediated Selective Arylation of Cysteine in Batch and Flow

PubMed Central

Bottecchia, Cecilia; Rubens, Maarten; Gunnoo, Smita B.; Hessel, Volker; Madder, Annemieke

2017-01-01

Abstract A mild visible‐light‐mediated strategy for cysteine arylation is presented. The method relies on the use of eosin Y as a metal‐free photocatalyst and aryldiazonium salts as arylating agents. The reaction can be significantly accelerated in a microflow reactor, whilst allowing the in situ formation of the required diazonium salts. The batch and flow protocol described herein can be applied to obtain a broad series of arylated cysteine derivatives and arylated cysteine‐containing dipeptides. Moreover, the method was applied to the chemoselective arylation of a model peptide in biocompatible reaction conditions (room temperature, phosphate‐buffered saline (PBS) buffer) within a short reaction time. PMID:28805276

Robust high-throughput batch screening method in 384-well format with optical in-line resin quantification.

PubMed

Kittelmann, Jörg; Ottens, Marcel; Hubbuch, Jürgen

2015-04-15

High-throughput batch screening technologies have become an important tool in downstream process development. Although continuative miniaturization saves time and sample consumption, there is yet no screening process described in the 384-well microplate format. Several processes are established in the 96-well dimension to investigate protein-adsorbent interactions, utilizing between 6.8 and 50 μL resin per well. However, as sample consumption scales with resin volumes and throughput scales with experiments per microplate, they are limited in costs and saved time. In this work, a new method for in-well resin quantification by optical means, applicable in the 384-well format, and resin volumes as small as 0.1 μL is introduced. A HTS batch isotherm process is described, utilizing this new method in combination with optical sample volume quantification for screening of isotherm parameters in 384-well microplates. Results are qualified by confidence bounds determined by bootstrap analysis and a comprehensive Monte Carlo study of error propagation. This new approach opens the door to a variety of screening processes in the 384-well format on HTS stations, higher quality screening data and an increase in throughput. Copyright © 2015 Elsevier B.V. All rights reserved.

A feasible, economical, and accurate analytical method for simultaneous determination of six alkaloid markers in Aconiti Lateralis Radix Praeparata from different manufacturing sources and processing ways.

PubMed

Zhang, Yi-Bei; DA, Juan; Zhang, Jing-Xian; Li, Shang-Rong; Chen, Xin; Long, Hua-Li; Wang, Qiu-Rong; Cai, Lu-Ying; Yao, Shuai; Hou, Jin-Jun; Wu, Wan-Ying; Guo, De-An

2017-04-01

Aconiti Lateralis Radix Praeparata (Fuzi) is a commonly used traditional Chinese medicine in clinic for its potency in restoring yang and rescuing from collapse. Aconiti alkaloids, mainly including monoester-diterpenoidaconitines (MDAs) and diester-diterpenoidaconitines (DDAs), are considered to act as both bioactive and toxic constituents. In the present study, a feasible, economical, and accurate HPLC method for simultaneous determination of six alkaloid markers using the Single Standard for Determination of Multi-Components (SSDMC) method was developed and fully validated. Benzoylmesaconine was used as the unique reference standard. This method was proven as accurate (recovery varying between 97.5%-101.8%, RSD < 3%), precise (RSD 0.63%-2.05%), and linear (R > 0.999 9) over the concentration ranges, and subsequently applied to quantitative evaluation of 62 batches of samples, among which 45 batches were from good manufacturing practice (GMP) facilities and 17 batches from the drug market. The contents were then analyzed by principal component analysis (PCA) and homogeneity test. The present study provided valuable information for improving the quality standard of Aconiti Lateralis Radix Praeparata. The developed method also has the potential in analysis of other Aconitum species, such as Aconitum carmichaelii (prepared parent root) and Aconitum kusnezoffii (prepared root). Copyright © 2017 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.

Establishment of the Ph. Eur. erythropoietin chemical reference substance batch 1.

PubMed

Burns, C; Bristow, A F; Buchheit, K H; Daas, A; Wierer, M; Costanzo, A

2015-01-01

The Erythropoietin (EPO) European Pharmacopoeia (Ph. Eur.) Biological Reference Preparation (BRP) batch 3 was calibrated in 2006 by in vivo bioassay and was used as a reference preparation for these assays as well as for the physicochemical methods in the Ph. Eur. monograph Erythropoietin concentrated solution (1316). In order to avoid the frequent replacement of this standard and thus reduce the use of animals, a new EPO Chemical Reference Substance (CRS) was established to be used solely for the physicochemical methods. Here we report the outcome of a collaborative study aimed at demonstrating the suitability of the candidate CRS (cCRS) as a reference for the physicochemical methods in the Ph. Eur. monograph. Results from the study demonstrated that for the physicochemical methods currently required in the monograph (capillary zone electrophoresis (CZE), polyacrylamide gel electrophoresis (PAGE)/immunoblotting and peptide mapping), the cCRS is essentially identical to the existing BRP. However, data also indicated that, for the physicochemical methods under consideration for inclusion in a revised monograph (test for oxidised forms and glycan mapping), the suitability of the cCRS as a reference needs to be confirmed with additional work. Further to completion of the study, the Ph. Eur. Commission adopted the cCRS as "Erythropoietin for physicochemical tests CRS batch 1" to be used for CZE, PAGE/immunoblotting and peptide mapping.

Performance characteristics of an ion chromatographic method for the quantitation of citrate and phosphate in pharmaceutical solutions.

PubMed

Jenke, Dennis; Sadain, Salma; Nunez, Karen; Byrne, Frances

2007-01-01

The performance of an ion chromatographic method for measuring citrate and phosphate in pharmaceutical solutions is evaluated. Performance characteristics examined include accuracy, precision, specificity, response linearity, robustness, and the ability to meet system suitability criteria. In general, the method is found to be robust within reasonable deviations from its specified operating conditions. Analytical accuracy is typically 100 +/- 3%, and short-term precision is not more than 1.5% relative standard deviation. The instrument response is linear over a range of 50% to 150% of the standard preparation target concentrations (12 mg/L for phosphate and 20 mg/L for citrate), and the results obtained using a single-point standard versus a calibration curve are essentially equivalent. A small analytical bias is observed and ascribed to the relative purity of the differing salts, used as raw materials in tested finished products and as reference standards in the analytical method. The assay is specific in that no phosphate or citrate peaks are observed in a variety of method-related solutions and matrix blanks (with and without autoclaving). The assay with manual preparation of the eluents is sensitive to the composition of the eluent in the sense that the eluent must be effectively degassed and protected from CO(2) ingress during use. In order for the assay to perform effectively, extensive system equilibration and conditioning is required. However, a properly conditioned and equilibrated system can be used to test a number of samples via chromatographic runs that include many (> 50) injections.

Fast analysis of curcuminoids from turmeric (Curcuma longa L.) by high-performance liquid chromatography using a fused-core column.

PubMed

Osorio-Tobón, J Felipe; Carvalho, Pedro I N; Barbero, Gerardo Fernández; Nogueira, Gislaine Chrystina; Rostagno, Mauricio Ariel; Meireles, Maria Angela de Almeida

2016-06-01

The recent development of fused-core technology in HPLC columns is enabling faster and highly efficient separations. This technology was evaluated for the development of a fast method for the analysis of main curcuminoids (curcumin, demethoxycurcumin and bisdemethoxycurcumin) present in extracts of turmeric (Curcuma longa L.). A step-by-step strategy was used to optimize temperature (40-55 °C), flow rate (1.0-2.5 mL min(-1)), mobile phase composition and equilibration time (1-5 min). A gradient method was developed using acidified water and acetonitrile combined with high column temperature (55 °C) and flow rate (2.5 mL min(-1)). Optimized conditions provided a method for the separation of these three curcuminoids in approximately 1.3 min with a total analysis time (sample-to-sample) of 7 min, including the clean-up and the re-equilibration of the column. Evaluation of chromatographic performance revealed excellent intraday and interday reproducibility (>99%), resolution (>2.23), selectivity (>1.12), peak symmetry (1.24-1.42) while presenting low limits of detection (<0.40 mg L(-1)) and quantification (<1.34 mg L(-1)). The robustness of the method was calculated according to the concentration/dilution of the sample and the injection volume. Several combinations of methanol and ethanol with water as sample solvents were evaluated and the best chromatographic results and extraction rate were obtained using 100% methanol. Finally, the developed method was validated with different extracts of turmeric rhizome and products that use turmeric in their formulation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Seven-Year Clinical Surveillance Program Demonstrates Consistent MARD Accuracy Performance of a Blood Glucose Test Strip.

PubMed

Setford, Steven; Grady, Mike; Mackintosh, Stephen; Donald, Robert; Levy, Brian

2018-05-01

MARD (mean absolute relative difference) is increasingly used to describe performance of glucose monitoring systems, providing a single-value quantitative measure of accuracy and allowing comparisons between different monitoring systems. This study reports MARDs for the OneTouch Verio® glucose meter clinical data set of 80 258 data points (671 individual batches) gathered as part of a 7.5-year self-surveillance program Methods: Test strips were routinely sampled from randomly selected manufacturer's production batches and sent to one of 3 clinic sites for clinical accuracy assessment using fresh capillary blood from patients with diabetes, using both the meter system and standard laboratory reference instrument. Evaluation of the distribution of strip batch MARD yielded a mean value of 5.05% (range: 3.68-6.43% at ±1.96 standard deviations from mean). The overall MARD for all clinic data points (N = 80 258) was also 5.05%, while a mean bias of 1.28 was recorded. MARD by glucose level was found to be consistent, yielding a maximum value of 4.81% at higher glucose (≥100 mg/dL) and a mean absolute difference (MAD) of 5.60 mg/dL at low glucose (<100 mg/dL). MARD by year of manufacture varied from 4.67-5.42% indicating consistent accuracy performance over the surveillance period. This 7.5-year surveillance program showed that this meter system exhibits consistently low MARD by batch, glucose level and year, indicating close agreement with established reference methods whilste exhibiting lower MARD values than continuous glucose monitoring (CGM) systems and providing users with confidence in the performance when transitioning to each new strip batch.

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

PubMed

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

2018-03-29

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

A conceptual geochemical model of the geothermal system at Surprise Valley, CA

NASA Astrophysics Data System (ADS)

Fowler, Andrew P. G.; Ferguson, Colin; Cantwell, Carolyn A.; Zierenberg, Robert A.; McClain, James; Spycher, Nicolas; Dobson, Patrick

2018-03-01

Characterizing the geothermal system at Surprise Valley (SV), northeastern California, is important for determining the sustainability of the energy resource, and mitigating hazards associated with hydrothermal eruptions that last occurred in 1951. Previous geochemical studies of the area attempted to reconcile different hot spring compositions on the western and eastern sides of the valley using scenarios of dilution, equilibration at low temperatures, surface evaporation, and differences in rock type along flow paths. These models were primarily supported using classical geothermometry methods, and generally assumed that fluids in the Lake City mud volcano area on the western side of the valley best reflect the composition of a deep geothermal fluid. In this contribution, we address controls on hot spring compositions using a different suite of geochemical tools, including optimized multicomponent geochemistry (GeoT) models, hot spring fluid major and trace element measurements, mineralogical observations, and stable isotope measurements of hot spring fluids and precipitated carbonates. We synthesize the results into a conceptual geochemical model of the Surprise Valley geothermal system, and show that high-temperature (quartz, Na/K, Na/K/Ca) classical geothermometers fail to predict maximum subsurface temperatures because fluids re-equilibrated at progressively lower temperatures during outflow, including in the Lake City area. We propose a model where hot spring fluids originate as a mixture between a deep thermal brine and modern meteoric fluids, with a seasonally variable mixing ratio. The deep brine has deuterium values at least 3 to 4‰ lighter than any known groundwater or high-elevation snow previously measured in and adjacent to SV, suggesting it was recharged during the Pleistocene when meteoric fluids had lower deuterium values. The deuterium values and compositional characteristics of the deep brine have only been identified in thermal springs and groundwater samples collected in proximity to structures that transmit thermal fluids, suggesting the brine may be thermal in nature. On the western side of the valley at the Lake City mud volcano, the deep brine-meteoric water mixture subsequently boils in the shallow subsurface, precipitates calcite, and re-equilibrates at about 130 °C. On the eastern side of the valley, meteoric fluid mixes to a greater extent with the deep brine, cools conductively without boiling, and the composition is modified as dissolved elements are sequestered by secondary minerals that form along the cooling and outflow path at temperatures <130 °C. Re-equilibration of geothermal fluids at lower temperatures during outflow explains why subsurface temperature estimates based on classical geothermometry methods are highly variable, and fail to agree with temperature estimates based on dissolved sulfate-oxygen isotopes and results of classical and multicomponent geothermometry applied to reconstructed deep well fluids. The proposed model is compatible with the idea suggested by others that thermal fluids on the western and eastern side of the valley have a common source, and supports the hypothesis that low temperature re-equilibration during west to east flow is the major control on hot spring fluid compositions, rather than dilution, evaporation, or differences in rock type.

Impact of cryopreservation on bull () semen proteome.

PubMed

Westfalewicz, B; Dietrich, M A; Ciereszko, A

2015-11-01

Cryopreservation of bull spermatozoa is a well-established technique, allowing artificial insemination of cattle on a commercial scale. However, the extent of proteome changes in seminal plasma and spermatozoa during cryopreservation are not yet fully known. The objective of this study was to compare the proteomes of fresh, equilibrated, and cryopreserved bull semen (spermatozoa and seminal plasma) to establish the changes in semen proteins during the cryopreservation process. Semen was collected from 6 mature Holstein Friesian bulls. After sample processing, comparative analysis and identification of proteins was performed using 2-dimensional difference in-gel electrophoresis coupled with matrix-assisted laser desorption/ionization mass spectrometry. Analysis of spermatozoa extracts revealed that 25 identified protein spots, representing 16 proteins, underwent significant ( < 0.05) changes in abundance due to equilibration and cryopreservation. Eighteen protein spots decreased in abundance, 5 protein spots increased in abundance, and 2 protein spots showed different, specific patterns of abundance changes. Analysis of seminal fluid containing seminal plasma showed that 6 identified protein spots, representing 4 proteins, underwent significant ( < 0.05) changes in abundance due to equilibration and cryopreservation. Two protein spots increased in abundance and 4 decreased in abundance. Semen extending and equilibration seems to be responsible for a significant portion of the proteome changes related to cryopreservation technology. Most sperm proteins affected by equilibration and cryopreservation are membrane bound, and loss of those proteins may reduce natural spermatozoa coating. Further research is needed to unravel the mechanisms of the particular protein changes described in this study and establish the relationship between those changes and sperm quality.

Deep solid-state equilibration and deep melting of plagioclase-free spinel peridotite from the slow-spreading Mid-Atlantic Ridge, ODP Leg 153

NASA Astrophysics Data System (ADS)

Will, Thomas M.; Schmädicke, Esther; Frimmel, Hartwig E.

2010-11-01

A petrological investigation of abyssal, plagioclase-free spinel peridotite drilled during ODP cruise 153 in the North Atlantic revealed that the peridotite represent refractory, partial residual mantle material that experienced depletion of incompatible trace elements during upper mantle melting. The degree of partial melting as estimated from spinel compositions was c. 12%. Fractionated middle and heavy rare earth elements imply polybaric melting, with c. 1-4% initial melting in the garnet peridotite stability field and subsequent partial melting of ~7-10% in the spinel peridotite stability field. Geothermobarometric investigations revealed that the solid-state equilibration of the spinel peridotite occurred at some 1,100-1,150°C and c. 20-23 kbar, corresponding to an equilibration depth of c. 70 ± 5 km and an unusually low thermal gradient of some 11-17°C/km. A thermal re-equilibration of the peridotite occurred at ~850-1,000°C at similar depths. Naturally, the initial mantle melting in the garnet-peridotite stability field must have commenced at depths greater than 70 ± 5 km. It is likely that the residual peridotite rose rapidly through the lithospheric cap towards the ridge axis. The exhumation of the abyssal peridotite occurred, at least in parts, via extensional detachment faulting. Given the shallow to moderate dip angles of the fault surfaces, the exhumation of the peridotite from its equilibration depth would imply an overall ridge-normal horizontal displacement of c. 50-160 km if tectonic stretching and detachment faulting were the sole exhumation mechanism.

Chemically non-equilibrated QGP and thermal photon elliptic flow

NASA Astrophysics Data System (ADS)

Monnai, Akihiko

2016-07-01

It has been discovered in recent heavy-ion experiments that elliptic and triangular flow of direct photons are underpredicted by most hydrodynamic models. I discuss possible enhancement mechanisms based on late chemical equilibration of the QGP and in-medium modification of parton distributions. Numerical hydrodynamic analyses indicate that they suppress early photon emission and visibly enhance thermal photon elliptic flow.

Sorption, dissolution and pH determine the long-term equilibration and toxicity of coated and uncoated ZnO nanoparticles in soil.

PubMed

Waalewijn-Kool, Pauline L; Diez Ortiz, Maria; van Straalen, Nico M; van Gestel, Cornelis A M

2013-07-01

To assess the effect of long-term dissolution on bioavailability and toxicity, triethoxyoctylsilane coated and uncoated zinc oxide nanoparticles (ZnO-NP), non-nano ZnO and ZnCl2 were equilibrated in natural soil for up to twelve months. Zn concentrations in pore water increased with time for all ZnO forms but peaked at intermediate concentrations of ZnO-NP and non-nano ZnO, while for coated ZnO-NP such a clear peak only was seen after 12 months. Dose-related increases in soil pH may explain decreased soluble Zn levels due to fixation of Zn released from ZnO at higher soil concentrations. At T = 0 uncoated ZnO-NP and non-nano ZnO were equally toxic to the springtail Folsomia candida, but not as toxic as coated ZnO-NP, and ZnCl2 being most toxic. After three months equilibration toxicity to F. candida was already reduced for all Zn forms, except for coated ZnO-NP which showed reduced toxicity only after 12 months equilibration. Copyright © 2013 Elsevier Ltd. All rights reserved.

Equilibration of energy in slow–fast systems

PubMed Central

Shah, Kushal; Gelfreich, Vassili; Rom-Kedar, Vered

2017-01-01

Ergodicity is a fundamental requirement for a dynamical system to reach a state of statistical equilibrium. However, in systems with several characteristic timescales, the ergodicity of the fast subsystem impedes the equilibration of the whole system because of the presence of an adiabatic invariant. In this paper, we show that violation of ergodicity in the fast dynamics can drive the whole system to equilibrium. To show this principle, we investigate the dynamics of springy billiards, which are mechanical systems composed of a small particle bouncing elastically in a bounded domain, where one of the boundary walls has finite mass and is attached to a linear spring. Numerical simulations show that the springy billiard systems approach equilibrium at an exponential rate. However, in the limit of vanishing particle-to-wall mass ratio, the equilibration rates remain strictly positive only when the fast particle dynamics reveal two or more ergodic components for a range of wall positions. For this case, we show that the slow dynamics of the moving wall can be modeled by a random process. Numerical simulations of the corresponding springy billiards and their random models show equilibration with similar positive rates. PMID:29183966

Identification and Characterization of Asulam Impurities in Self Made Bulk Batch Synthesis and Quantification by RP-HPLC Method.

PubMed

Mahaboob Basha, D; Venkata Reddy, G; Gopi Krishna, Y; Kumara Swamy, B E; Vijay, Rajani

2018-04-19

The first approach of this research paper explores the simultaneous characterization and determination of theAsulam active ingredient and its associated nine impurities in bulk batch production by the gradient reverse-phase high-performance liquid chromatographic (RP-HPLC) method. The best separation from its potential impurities and reproducible method was achieved by selecting the Cosmosil C-18 (250 × 4.6 mm, 5 μm particle size) analytical column with a run time of 40 min. The pumping chromatographic mobile phase was composed of 0.1% formic acid in milli-Q water (pH ~2.72) and methanol (80 + 20, v/v). An ambient column-oven temperature and UV detection at 260 nm were used. For this broad resolution, a gradient program was employed at a flow rate of 1.20 mL/min. All potential related substances in Asulam bulk manufacturing were ascertained by mass, proton nuclear magnetic resonance, and infrared spectroscopy. The developed HPLC method was validated with respect to linearity (25.64-151.83 mg/L for Asulam and 0.71-16.29, 1.02-12.26, 1.01-20.29, 0.60-10.01, 1.04-16.65, 0.94-22.47, 0.93-16.60, 1.00-12.45, 1.00-12.45, and 0.71-12.17 mg/L for Impurities A to I with a correlation coefficient 0.999 for Asulam and all the impurities), precision (RSD, % for active analyte Asulam and impurities were ˂2%), accuracy (percent recovery for Asulam at two levels ranged from 99.28 to 99.35%, and for Impurities A to I, it was 93.44 to 101.41%), and specificity. Hence, this simple and reliable HPLC method was able to determine the purity of Asulam active analyte and the level of impurities in bulk batch synthesis. By using this quantified procedure, five self-made production batches were analyzed simultaneously.

Physicochemical Characteristics of Transferon™ Batches.

PubMed

Medina-Rivero, Emilio; Vallejo-Castillo, Luis; Vázquez-Leyva, Said; Pérez-Sánchez, Gilberto; Favari, Liliana; Velasco-Velázquez, Marco; Estrada-Parra, Sergio; Pavón, Lenin; Pérez-Tapia, Sonia Mayra

2016-01-01

Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes.

Adaptation to high throughput batch chromatography enhances multivariate screening.

PubMed

Barker, Gregory A; Calzada, Joseph; Herzer, Sibylle; Rieble, Siegfried

2015-09-01

High throughput process development offers unique approaches to explore complex process design spaces with relatively low material consumption. Batch chromatography is one technique that can be used to screen chromatographic conditions in a 96-well plate. Typical batch chromatography workflows examine variations in buffer conditions or comparison of multiple resins in a given process, as opposed to the assessment of protein loading conditions in combination with other factors. A modification to the batch chromatography paradigm is described here where experimental planning, programming, and a staggered loading approach increase the multivariate space that can be explored with a liquid handling system. The iterative batch chromatography (IBC) approach is described, which treats every well in a 96-well plate as an individual experiment, wherein protein loading conditions can be varied alongside other factors such as wash and elution buffer conditions. As all of these factors are explored in the same experiment, the interactions between them are characterized and the number of follow-up confirmatory experiments is reduced. This in turn improves statistical power and throughput. Two examples of the IBC method are shown and the impact of the load conditions are assessed in combination with the other factors explored. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic studies on batch cultivation of Trichoderma reesei and application to enhance cellulase production by fed-batch fermentation.

PubMed

Ma, Lijuan; Li, Chen; Yang, Zhenhua; Jia, Wendi; Zhang, Dongyuan; Chen, Shulin

2013-07-20

Reducing the production cost of cellulase as the key enzyme for cellulose hydrolysis to fermentable sugars remains a major challenge for biofuel production. Because of the complexity of cellulase production, kinetic modeling and mass balance calculation can be used as effective tools for process design and optimization. In this study, kinetic models for cell growth, substrate consumption and cellulase production in batch fermentation were developed, and then applied in fed-batch fermentation to enhance cellulase production. Inhibition effect of substrate was considered and a modified Luedeking-Piret model was developed for cellulase production and substrate consumption according to the growth characteristics of Trichoderma reesei. The model predictions fit well with the experimental data. Simulation results showed that higher initial substrate concentration led to decrease of cellulase production rate. Mass balance and kinetic simulation results were applied to determine the feeding strategy. Cellulase production and its corresponding productivity increased by 82.13% after employing the proper feeding strategy in fed-batch fermentation. This method combining mathematics and chemometrics by kinetic modeling and mass balance can not only improve cellulase fermentation process, but also help to better understand the cellulase fermentation process. The model development can also provide insight to other similar fermentation processes. Copyright © 2013 Elsevier B.V. All rights reserved.

Online automatic tuning and control for fed-batch cultivation

PubMed Central

van Straten, Gerrit; van der Pol, Leo A.; van Boxtel, Anton J. B.

2007-01-01

Performance of controllers applied in biotechnological production is often below expectation. Online automatic tuning has the capability to improve control performance by adjusting control parameters. This work presents automatic tuning approaches for model reference specific growth rate control during fed-batch cultivation. The approaches are direct methods that use the error between observed specific growth rate and its set point; systematic perturbations of the cultivation are not necessary. Two automatic tuning methods proved to be efficient, in which the adaptation rate is based on a combination of the error, squared error and integral error. These methods are relatively simple and robust against disturbances, parameter uncertainties, and initialization errors. Application of the specific growth rate controller yields a stable system. The controller and automatic tuning methods are qualified by simulations and laboratory experiments with Bordetella pertussis. PMID:18157554

A method for normalizing pathology images to improve feature extraction for quantitative pathology.

PubMed

Tam, Allison; Barker, Jocelyn; Rubin, Daniel

2016-01-01

With the advent of digital slide scanning technologies and the potential proliferation of large repositories of digital pathology images, many research studies can leverage these data for biomedical discovery and to develop clinical applications. However, quantitative analysis of digital pathology images is impeded by batch effects generated by varied staining protocols and staining conditions of pathological slides. To overcome this problem, this paper proposes a novel, fully automated stain normalization method to reduce batch effects and thus aid research in digital pathology applications. Their method, intensity centering and histogram equalization (ICHE), normalizes a diverse set of pathology images by first scaling the centroids of the intensity histograms to a common point and then applying a modified version of contrast-limited adaptive histogram equalization. Normalization was performed on two datasets of digitized hematoxylin and eosin (H&E) slides of different tissue slices from the same lung tumor, and one immunohistochemistry dataset of digitized slides created by restaining one of the H&E datasets. The ICHE method was evaluated based on image intensity values, quantitative features, and the effect on downstream applications, such as a computer aided diagnosis. For comparison, three methods from the literature were reimplemented and evaluated using the same criteria. The authors found that ICHE not only improved performance compared with un-normalized images, but in most cases showed improvement compared with previous methods for correcting batch effects in the literature. ICHE may be a useful preprocessing step a digital pathology image processing pipeline.

Computational Testing for Automated Preprocessing 2: Practical Demonstration of a System for Scientific Data-Processing Workflow Management for High-Volume EEG

PubMed Central

Cowley, Benjamin U.; Korpela, Jussi

2018-01-01

Existing tools for the preprocessing of EEG data provide a large choice of methods to suitably prepare and analyse a given dataset. Yet it remains a challenge for the average user to integrate methods for batch processing of the increasingly large datasets of modern research, and compare methods to choose an optimal approach across the many possible parameter configurations. Additionally, many tools still require a high degree of manual decision making for, e.g., the classification of artifacts in channels, epochs or segments. This introduces extra subjectivity, is slow, and is not reproducible. Batching and well-designed automation can help to regularize EEG preprocessing, and thus reduce human effort, subjectivity, and consequent error. The Computational Testing for Automated Preprocessing (CTAP) toolbox facilitates: (i) batch processing that is easy for experts and novices alike; (ii) testing and comparison of preprocessing methods. Here we demonstrate the application of CTAP to high-resolution EEG data in three modes of use. First, a linear processing pipeline with mostly default parameters illustrates ease-of-use for naive users. Second, a branching pipeline illustrates CTAP's support for comparison of competing methods. Third, a pipeline with built-in parameter-sweeping illustrates CTAP's capability to support data-driven method parameterization. CTAP extends the existing functions and data structure from the well-known EEGLAB toolbox, based on Matlab, and produces extensive quality control outputs. CTAP is available under MIT open-source licence from https://github.com/bwrc/ctap. PMID:29692705

Computational Testing for Automated Preprocessing 2: Practical Demonstration of a System for Scientific Data-Processing Workflow Management for High-Volume EEG.

PubMed

Cowley, Benjamin U; Korpela, Jussi

2018-01-01

Existing tools for the preprocessing of EEG data provide a large choice of methods to suitably prepare and analyse a given dataset. Yet it remains a challenge for the average user to integrate methods for batch processing of the increasingly large datasets of modern research, and compare methods to choose an optimal approach across the many possible parameter configurations. Additionally, many tools still require a high degree of manual decision making for, e.g., the classification of artifacts in channels, epochs or segments. This introduces extra subjectivity, is slow, and is not reproducible. Batching and well-designed automation can help to regularize EEG preprocessing, and thus reduce human effort, subjectivity, and consequent error. The Computational Testing for Automated Preprocessing (CTAP) toolbox facilitates: (i) batch processing that is easy for experts and novices alike; (ii) testing and comparison of preprocessing methods. Here we demonstrate the application of CTAP to high-resolution EEG data in three modes of use. First, a linear processing pipeline with mostly default parameters illustrates ease-of-use for naive users. Second, a branching pipeline illustrates CTAP's support for comparison of competing methods. Third, a pipeline with built-in parameter-sweeping illustrates CTAP's capability to support data-driven method parameterization. CTAP extends the existing functions and data structure from the well-known EEGLAB toolbox, based on Matlab, and produces extensive quality control outputs. CTAP is available under MIT open-source licence from https://github.com/bwrc/ctap.

Elastic Buckling of Orthotropic Plates Under Varying Axial Stresses

NASA Technical Reports Server (NTRS)

Badir, Ashraf; Hu, Hurang; Diallo, Abdouramane

1997-01-01

The elastic buckling load of simply supported rectangular orthotropic plates subjected to a second degree parabolic variation of axial stresses in the longitudinal direction is calculated using analytical methods. The variation of axial stresses is equilibrated by nonuniform shear stresses along the plate edges and transverse normal stresses. The influence of the aspect ratio is examined, and the results are compared with plates subjected to uniform axial stresses.

40 CFR Appendix B to Part 50 - Reference Method for the Determination of Suspended Particulate Matter in the Atmosphere (High...

Code of Federal Regulations, 2012 CFR

2012-07-01

... site, draws a measured quantity of ambient air into a covered housing and through a filter during a 24... filters used are specified to have a minimum collection efficiency of 99 percent for 0.3 µm (DOP) particles (see Section 7.1.4). 2.2 The filter is weighed (after moisture equilibration) before and after use...

Factors affecting the morphology of isocitrate lyase crystals

NASA Technical Reports Server (NTRS)

Demattei, Robert C.; Feigelson, Robert S.; Weber, Patricia C.

1992-01-01

Isocitrate lyase crystals have been grown by the hanging drop vapor equilibration method in both 1-g and microgravity and by vapor equilibrium in small capillaries. The crystal morphologies obtained have ranged from dendritic to 'octagonal' prisms. Theoretical evaporation models have been applied to these growth regimes. The results of these analyses along with other experimental results, indicate the factors which must be controlled to produce good growth morphologies.

Simultaneous Determination of Benzene and Toluene in Pesticide Emulsifiable Concentrate by Headspace GC-MS

PubMed Central

Jiang, Hua; Yang, Jing; Fan, Li; Li, Fengmin; Huang, Qiliang

2013-01-01

The toxic inert ingredients in pesticide formulations are strictly regulated in many countries. In this paper, a simple and efficient headspace-gas chromatography-mass spectrometry (HSGC-MS) method using fluorobenzene as an internal standard (IS) for rapid simultaneous determination of benzene and toluene in pesticide emulsifiable concentrate (EC) was established. The headspace and GC-MS conditions were investigated and developed. A nonpolar fused silica Rtx-5 capillary column (30 m × 0.20 mm i.d. and 0.25 μm film thickness) with temperature programming was used. Under optimized headspace conditions, equilibration temperature of 120°C, equilibration time of 5 min, and sample size of 50 μL, the regression of the peak area ratios of benzene and toluene to IS on the concentrations of analytes fitted a linear relationship well at the concentration levels ranging from 3.2 g/L to 16.0 g/L. Standard additions of benzene and toluene to blank different matrix solutions 1ead to recoveries of 100.1%–109.5% with a relative standard deviation (RSD) of 0.3%–8.1%. The method presented here stands out as simple and easily applicable, which provides a way for the determination of toxic volatile adjuvant in liquid pesticide formulations. PMID:23607048

Free energies from dynamic weighted histogram analysis using unbiased Markov state model.

PubMed

Rosta, Edina; Hummer, Gerhard

2015-01-13

The weighted histogram analysis method (WHAM) is widely used to obtain accurate free energies from biased molecular simulations. However, WHAM free energies can exhibit significant errors if some of the biasing windows are not fully equilibrated. To account for the lack of full equilibration, we develop the dynamic histogram analysis method (DHAM). DHAM uses a global Markov state model to obtain the free energy along the reaction coordinate. A maximum likelihood estimate of the Markov transition matrix is constructed by joint unbiasing of the transition counts from multiple umbrella-sampling simulations along discretized reaction coordinates. The free energy profile is the stationary distribution of the resulting Markov matrix. For this matrix, we derive an explicit approximation that does not require the usual iterative solution of WHAM. We apply DHAM to model systems, a chemical reaction in water treated using quantum-mechanics/molecular-mechanics (QM/MM) simulations, and the Na(+) ion passage through the membrane-embedded ion channel GLIC. We find that DHAM gives accurate free energies even in cases where WHAM fails. In addition, DHAM provides kinetic information, which we here use to assess the extent of convergence in each of the simulation windows. DHAM may also prove useful in the construction of Markov state models from biased simulations in phase-space regions with otherwise low population.

Interaction of copper and fulvic acid at the hematite-water interface

NASA Astrophysics Data System (ADS)

Christl, Iso; Kretzschmar, Ruben

2001-10-01

The influence of surface-bound fulvic acid on the sorption of Cu(II) to colloidal hematite particles was studied experimentally and the results were compared with model calculations based on the linear additivity assumption. In the first step, proton and Cu binding to colloidal hematite particles and to purified fulvic acid was studied by batch equilibration and ion-selective electrode titration experiments, respectively. The sorption data for these binary systems were modeled with a basic Stern surface complexation model for hematite and the NICA-Donnan model for fulvic acid. In the second step, pH-dependent sorption of Cu and fulvic acid in ternary systems containing Cu, hematite, and fulvic acid in NaNO3 electrolyte solutions was investigated in batch sorption experiments. Sorption of fulvic acid to the hematite decreased with increasing pH (pH 3-10) and decreasing ionic strength (0.01-0.1 M NaNO3), while the presence of 22 μM Cu had a small effect on fulvic acid sorption, only detectable at low ionic strength (0.01 M). Sorption of Cu to the solid phase separated by centrifugation was strongly affected by the presence of fulvic acid. Below pH 6, sorption of Cu to the solid phase increased by up to 40% compared with the pure hematite. Above pH 6, the presence of fulvic acid resulted in a decrease in Cu sorption due to increasing concentrations of dissolved metal-organic complexes. At low ionic strength (0.01 M), the effects of fulvic acid on Cu sorption to the solid phase were more pronounced than at higher ionic strength (0.1 M). Comparison of the experimental data with model calculations shows that Cu sorption in ternary hematite-fulvic acid systems is systematically underestimated by up to 30% using the linear additivity assumption. Therefore, specific interactions between organic matter and trace metal cations at mineral surfaces must be taken into account when applying surface complexation models to soils or sediments which contain oxides and natural organic matter.

Re-equilibration after quenches in athermal martensites: Conversion delays for vapor-to-liquid domain-wall phases

NASA Astrophysics Data System (ADS)

Shankaraiah, N.; Murthy, K. P. N.; Lookman, T.; Shenoy, S. R.

2015-06-01

Entropy barriers and aging states appear in martensitic structural-transition models, slowly re-equilibrating after temperature quenches, under Monte Carlo dynamics. Concepts from protein folding and aging harmonic oscillators turn out to be useful in understanding these nonequilibrium evolutions. We show how the athermal, nonactivated delay time for seeded parent-phase austenite to convert to product-phase martensite arises from an identified entropy barrier in Fourier space. In an aging state of low Monte Carlo acceptances, the strain structure factor makes constant-energy searches for rare pathways to enter a Brillouin zone "golf hole" enclosing negative-energy states, and to suddenly release entropically trapped stresses. In this context, a stress-dependent effective temperature can be defined, that re-equilibrates to the quenched bath temperature.

Minimizing magnetic fields for precision experiments

NASA Astrophysics Data System (ADS)

Altarev, I.; Fierlinger, P.; Lins, T.; Marino, M. G.; Nießen, B.; Petzoldt, G.; Reisner, M.; Stuiber, S.; Sturm, M.; Taggart Singh, J.; Taubenheim, B.; Rohrer, H. K.; Schläpfer, U.

2015-06-01

An increasing number of measurements in fundamental and applied physics rely on magnetically shielded environments with sub nano-Tesla residual magnetic fields. State of the art magnetically shielded rooms (MSRs) consist of up to seven layers of high permeability materials in combination with highly conductive shields. Proper magnetic equilibration is crucial to obtain such low magnetic fields with small gradients in any MSR. Here, we report on a scheme to magnetically equilibrate MSRs with a 10 times reduced duration of the magnetic equilibration sequence and a significantly lower magnetic field with improved homogeneity. For the search of the neutron's electric dipole moment, our finding corresponds to a 40% improvement of the statistical reach of the measurement. However, this versatile procedure can improve the performance of any MSR for any application.

Sorption behavior of 17 phthalic acid esters on three soils: effects of pH and dissolved organic matter, sorption coefficient measurement and QSPR study.

PubMed

Yang, Fen; Wang, Meng; Wang, Zunyao

2013-09-01

This work studies the sorption behaviors of phthalic acid esters (PAEs) on three soils by batch equilibration experiments and quantitative structure property relationship (QSPR) methodology. Firstly, the effects of soil type, dissolved organic matter and pH on the sorption of four PAEs (DMP, DEP, DAP, DBP) are investigated. The results indicate that the soil organic carbon content has a crucial influence on sorption progress. In addition, a negative correlation between pH values and the sorption capacities was found for these four PAEs. However, the effect of DOM on PAEs sorption may be more complicated. The sorption of four PAEs was promoted by low concentrations of DOM, while, in the case of high concentrations, the influence of DOM on the sorption was complicated. Then the organic carbon content normalized sorption coefficient (logKoc) values of 17 PAEs on three soils were measured, and the mean values ranged from 1.50 to 7.57. The logKoc values showed good correlation with the corresponding logKow values. Finally, two QSPR models were developed with 13 theoretical parameters to get reliable logKoc predictions. The leave-one-out cross validation (CV-LOO) indicated that the internal predictive power of the two models was satisfactory. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Solubility and cation exchange in phosphate rock and saturated clinoptilolite mixtures

NASA Technical Reports Server (NTRS)

Allen, E. R.; Hossner, L. R.; Ming, D. W.; Henninger, D. L.

1993-01-01

Mixtures of zeolite and phosphate rock (PR) have the potential to provide slow-release fertilization of plants in synthetic soils by dissolution and ion-exchange reactions. This study was conducted to examine solubility and cation-exchange relationships in mixtures of PR and NH4- and K-saturated clinoptilolite (Cp). Batch-equilibration experiments were designed to investigate the effect of PR source, the proportion of exchangeable K and NH4, and the Cp to PR ratio on solution N, P, K, and Ca concentrations. The dissolution and cation-exchange reactions that occurred after mixing NH4- and K-saturated Cp with PR increased the solubility of the PR and simultaneously released NH4 and K into solution. The more reactive North Carolina (NC) PR rendered higher solution concentrations of NH4 and K when mixed with Cp than did Tennessee (TN) PR. Solution P concentrations for the Cp-NC PR mixture and the Cp-TN PR mixture were similar. Solution concentrations of N, P, K, and Ca and the ratios of these nutrients in solution varied predictably with the type of PR, the Cp/PR ratio, and the proportions of exchangeable K and NH4 on the Cp. Our research indicated that slow-release fertilization using Cp/PR media may provide adequate levels of N, P, and K to support plant growth. Solution Ca concentrations were lower than optimum for plant growth.

Validating a faster method for reconstitution of Crotalidae Polyvalent Immune Fab (ovine).

PubMed

Gerring, David; King, Thomas R; Branton, Richard

2013-07-01

Reconstitution of CroFab(®) (Crotalidae Polyvalent Immune Fab [ovine]) lyophilized drug product was previously performed using 10 mL sterile water for injection followed by up to 36 min of gentle swirling of the vial. CroFab has been clinically demonstrated to be most effective when administered within 6 h of snake envenomation, and improved clinical outcomes are correlated with quicker timing of administration. An alternate reconstitution method was devised, using 18 mL 0.9% saline with manual inversion, with the goal of shortening reconstitution time while maintaining a high quality, efficacious product. An analytical study was designed to compare the physicochemical properties of 3 separate batches of CroFab when reconstituted using the standard procedure (10 mL WFI with gentle swirling) and a modified rapid procedure using 18 mL 0.9% saline and manual inversion. The physical and chemical characteristics of the same 3 batches were assessed using various analytic methodologies associated with routine quality control release testing. In addition further analytical methodologies were applied in order to elucidate possible structural changes that may be induced by the changed reconstitution procedure. Batches A, B, and C required mean reconstitution times of 25 min 51 s using the label method and 3 min 07 s (a 88.0% mean decrease) using the modified method. Physicochemical characteristics (color and clarity, pH, purity, protein content, potency) were found to be highly comparable. Characterization assays (dynamic light scattering, analytical ultracentrifugation, LC-MS, SDS-PAGE and circular dichroism spectroscopy were also all found to be comparable between methods. When comparing CroFab batches that were reconstituted using the labeled and modified methods, the physicochemical and biological (potency) characteristics of CroFab were not significantly changed when challenged by the various standard analytical methodologies applied in routine quality control analysis. Additionally, no changes in the CroFab molecule regarding degradation, aggregation, purity, structure, or mass were observed. The analyses performed validated the use of the more rapid reconstitution method using 18 mL 0.9% saline in order to allow a significantly reduced time to administration of CroFab to patients in need. Copyright © 2013 Elsevier Ltd. All rights reserved.

Crystallisation regimes and kinetics in experimentally decompressed dacitic magma

NASA Astrophysics Data System (ADS)

Blum-Oeste, N.; Schmidt, B. C.; Webb, S. L.

2011-12-01

Kinetic processes during magma ascent may have a strong influence on the eruption style. In water bearing dacitic magmas decompression induced exsolution of water and accompanying crystallisation of plagioclase are the main processes which drive the system towards a new equilibrium state. We present new data on the evolution of residual glass composition and crystal size distributions of plagioclase from decompression experiments. Experiments have been conducted in cold seal pressure vessels at 850°C on a natural dacite composition from Taapaca volcano (N. Chile). After an initial equilibration at 2kbar decompression rates between 6.3 and 450bar/h were applied to final pressures between 50 and 1550bar where samples were rapidly quenched. Complementary equilibrium experiments were done at corresponding pressures. The glass composition evolves from the initial state towards the equilibrium at the final pressure. The completeness of this re-equilibration depends on run duration and reaction rates. We introduce the "re-equilibration index" (REI), a fraction between 0 (initial state) and 1 (final state) which allows comparison of chemical components in terms of re-equilibration at different decompression rates. REI divided by the decompression duration gives the "re-equilibration rate" (RER). The REI varies among oxides and it decreases with increasing decompression rate. The highest REIs of ~0.9 have been found for MgO, K2O and Al2O3 at 6.3bar/h whereas Na2O shows the lowest number with 0.25 at this decompression rate. Towards faster decompression all REIs tend to decrease which shows a decreasing completeness of re-equilibration. At 450bar/h the highest REIs are ~0.25. RERs increase from below ~0.005/h at 6.3bar/h up to almost 0.08/h for Al2O3 at 450bar/h. The variability of RERs of different oxides also increases with decompression rates. At 450bar/h the RERs reach from <0.005/h up to 0.08/h. Although RERs strongly increase from low to high decompression rates, this does not compensate for the decreasing duration available for re-equilibration as REIs clearly show. The volume fraction of plagioclase decreases from ~21% at 6.3bar/h to ~16% at 450bar/h which fits the decrease in REIs. The population density of small crystals decreases whereas the population density of larger crystals increases from slow to fast decompression. This reflects a transition from nucleation controlled crystallisation at slow decompression to a growth dominated regime at fast decompression. As RERs show re-equilibration is faster in the growth dominated regime. Although this transition in nucleation processes might be counter-intuitive it can be explained by the observation of slightly higher water concentrations at fast decompression rates resulting in higher liquidus temperatures and thus lower undercooling.

Quantifying pCO2 in biological ocean acidification experiments: A comparison of four methods.

PubMed

Watson, Sue-Ann; Fabricius, Katharina E; Munday, Philip L

2017-01-01

Quantifying the amount of carbon dioxide (CO2) in seawater is an essential component of ocean acidification research; however, equipment for measuring CO2 directly can be costly and involve complex, bulky apparatus. Consequently, other parameters of the carbonate system, such as pH and total alkalinity (AT), are often measured and used to calculate the partial pressure of CO2 (pCO2) in seawater, especially in biological CO2-manipulation studies, including large ecological experiments and those conducted at field sites. Here we compare four methods of pCO2 determination that have been used in biological ocean acidification experiments: 1) Versatile INstrument for the Determination of Total inorganic carbon and titration Alkalinity (VINDTA) measurement of dissolved inorganic carbon (CT) and AT, 2) spectrophotometric measurement of pHT and AT, 3) electrode measurement of pHNBS and AT, and 4) the direct measurement of CO2 using a portable CO2 equilibrator with a non-dispersive infrared (NDIR) gas analyser. In this study, we found these four methods can produce very similar pCO2 estimates, and the three methods often suited to field-based application (spectrophotometric pHT, electrode pHNBS and CO2 equilibrator) produced estimated measurement uncertainties of 3.5-4.6% for pCO2. Importantly, we are not advocating the replacement of established methods to measure seawater carbonate chemistry, particularly for high-accuracy quantification of carbonate parameters in seawater such as open ocean chemistry, for real-time measures of ocean change, nor for the measurement of small changes in seawater pCO2. However, for biological CO2-manipulation experiments measuring differences of over 100 μatm pCO2 among treatments, we find the four methods described here can produce similar results with careful use.

Quantifying pCO2 in biological ocean acidification experiments: A comparison of four methods

PubMed Central

Fabricius, Katharina E.; Munday, Philip L.

2017-01-01

Quantifying the amount of carbon dioxide (CO2) in seawater is an essential component of ocean acidification research; however, equipment for measuring CO2 directly can be costly and involve complex, bulky apparatus. Consequently, other parameters of the carbonate system, such as pH and total alkalinity (AT), are often measured and used to calculate the partial pressure of CO2 (pCO2) in seawater, especially in biological CO2-manipulation studies, including large ecological experiments and those conducted at field sites. Here we compare four methods of pCO2 determination that have been used in biological ocean acidification experiments: 1) Versatile INstrument for the Determination of Total inorganic carbon and titration Alkalinity (VINDTA) measurement of dissolved inorganic carbon (CT) and AT, 2) spectrophotometric measurement of pHT and AT, 3) electrode measurement of pHNBS and AT, and 4) the direct measurement of CO2 using a portable CO2 equilibrator with a non-dispersive infrared (NDIR) gas analyser. In this study, we found these four methods can produce very similar pCO2 estimates, and the three methods often suited to field-based application (spectrophotometric pHT, electrode pHNBS and CO2 equilibrator) produced estimated measurement uncertainties of 3.5–4.6% for pCO2. Importantly, we are not advocating the replacement of established methods to measure seawater carbonate chemistry, particularly for high-accuracy quantification of carbonate parameters in seawater such as open ocean chemistry, for real-time measures of ocean change, nor for the measurement of small changes in seawater pCO2. However, for biological CO2-manipulation experiments measuring differences of over 100 μatm pCO2 among treatments, we find the four methods described here can produce similar results with careful use. PMID:28957378

Characterizing optical polishing pitch

NASA Astrophysics Data System (ADS)

Varshneya, Rupal; DeGroote, Jessica E.; Gregg, Leslie L.; Jacobs, Stephen D.

2003-05-01

Characterization data for five experimental optical polishing pitch products were compared to those for corresponding standard commercial optical polishing pitches. The experimental pitches were tested for three physical properties: hardness, viscosity at 90°C, and softening point. A Shore A Durometer test was used to measure hardness. Viscosity data were collected using a Stony Brook Scientific falling needle viscometer. Softening point was determined using the ASTM D3104-97 method. Results demonstrate that the softest and the hardest batches of the experimental grades of optical pitch are comparable to the industry-accepted standards, while the other grades of pitch are not. The experimental methodology followed in this research may allow opticians to rapidly compare different brands of pitch to help identify batch-to-batch differences and control pitch quality before use.

Characterizing optical polishing pitch

NASA Astrophysics Data System (ADS)

Varshneya, Rupal

2003-05-01

Characterization data for five experimental optical polishing pitch products were compared to those for corresponding standard commercial optical polishing pitches. The experimental pitches were tested for three physical properties: hardness, viscosity at 90°C, and softening point. A Shore A Durometerl test was used to measure hardness. Viscosity data were collected using a Stony Brook Scientific' falling needle viscometer. Softening point was determined using the ASTM D3104-97 method. Results demonstrate that the softest and the hardest batches of the experimental grades of optical pitch are comparable to the industry-accepted standards, while the other grades of pitch are not. The experimental methodology followed in this research may allow opticians to rapidly compare different brands of pitch to help identify batch- to- batch differences and control pitch quality before use.

Design and fabrication of a fixed-bed batch type pyrolysis reactor for pilot scale pyrolytic oil production in Bangladesh

NASA Astrophysics Data System (ADS)

Aziz, Mohammad Abdul; Al-khulaidi, Rami Ali; Rashid, MM; Islam, M. R.; Rashid, MAN

2017-03-01

In this research, a development and performance test of a fixed-bed batch type pyrolysis reactor for pilot scale pyrolysis oil production was successfully completed. The characteristics of the pyrolysis oil were compared to other experimental results. A solid horizontal condenser, a burner for furnace heating and a reactor shield were designed. Due to the pilot scale pyrolytic oil production encountered numerous problems during the plant’s operation. This fixed-bed batch type pyrolysis reactor method will demonstrate the energy saving concept of solid waste tire by creating energy stability. From this experiment, product yields (wt. %) for liquid or pyrolytic oil were 49%, char 38.3 % and pyrolytic gas 12.7% with an operation running time of 185 minutes.

Development and validation of a fast static headspace GC method for determination of residual solvents in permethrin.

PubMed

Tian, Jingzhi; Rustum, Abu

2016-09-05

A fast static headspace gas chromatography (HS-GC) method was developed to separate all residual solvents present in commercial active pharmaceutical ingredient (API) batches of permethrin. A total of six residual solvents namely 2-methylpentane, 3-methylpentane, methylcyclopentane, n-hexane, cyclohexane and toluene were found in typical commercial batches of permethrin; and three of them are not in the list of ICH solvents. All six residual solvents were baseline separated in five minutes by the new method presented in this paper. The method was successfully validated as per International Conference on Harmonisation (ICH) guidelines. Evaluation of this method was conducted to separate 26 commonly used solvents in the manufacturing of various APIs, key intermediates of APIs and pharmaceutical excipients. The results of the evaluation demonstrated that this method can also be used as a general method to determine residual solvents in various APIs, intermediates and excipients that are used in pharmaceutical products. Copyright © 2016 Elsevier B.V. All rights reserved.

42 CFR Appendix - Tables to Subpart L of Part 84

Code of Federal Regulations, 2014 CFR

2014-10-01

....) Number of tests Penetration 1 (p.p.m.) Minimum life 2 (min.) Ammonia As received NH3 1000 64 3 50 50 Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine Equilibrated Cl2... life shall be one-half that shown for each type of gas or vapor. Where a respirator is designed for...

42 CFR Appendix - Tables to Subpart L of Part 84

Code of Federal Regulations, 2012 CFR

2012-10-01

....) Number of tests Penetration 1 (p.p.m.) Minimum life 2 (min.) Ammonia As received NH3 1000 64 3 50 50 Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine Equilibrated Cl2... life shall be one-half that shown for each type of gas or vapor. Where a respirator is designed for...

42 CFR Appendix - Tables to Subpart L of Part 84

Code of Federal Regulations, 2013 CFR

2013-10-01

....) Number of tests Penetration 1 (p.p.m.) Minimum life 2 (min.) Ammonia As received NH3 1000 64 3 50 50 Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine Equilibrated Cl2... life shall be one-half that shown for each type of gas or vapor. Where a respirator is designed for...

A method for normalizing pathology images to improve feature extraction for quantitative pathology

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

Tam, Allison; Barker, Jocelyn; Rubin, Daniel

Purpose: With the advent of digital slide scanning technologies and the potential proliferation of large repositories of digital pathology images, many research studies can leverage these data for biomedical discovery and to develop clinical applications. However, quantitative analysis of digital pathology images is impeded by batch effects generated by varied staining protocols and staining conditions of pathological slides. Methods: To overcome this problem, this paper proposes a novel, fully automated stain normalization method to reduce batch effects and thus aid research in digital pathology applications. Their method, intensity centering and histogram equalization (ICHE), normalizes a diverse set of pathology imagesmore » by first scaling the centroids of the intensity histograms to a common point and then applying a modified version of contrast-limited adaptive histogram equalization. Normalization was performed on two datasets of digitized hematoxylin and eosin (H&E) slides of different tissue slices from the same lung tumor, and one immunohistochemistry dataset of digitized slides created by restaining one of the H&E datasets. Results: The ICHE method was evaluated based on image intensity values, quantitative features, and the effect on downstream applications, such as a computer aided diagnosis. For comparison, three methods from the literature were reimplemented and evaluated using the same criteria. The authors found that ICHE not only improved performance compared with un-normalized images, but in most cases showed improvement compared with previous methods for correcting batch effects in the literature. Conclusions: ICHE may be a useful preprocessing step a digital pathology image processing pipeline.« less

Quantitative determinations using portable Raman spectroscopy.

PubMed

Navin, Chelliah V; Tondepu, Chaitanya; Toth, Roxana; Lawson, Latevi S; Rodriguez, Jason D

2017-03-20

A portable Raman spectrometer was used to develop chemometric models to determine percent (%) drug release and potency for 500mg ciprofloxacin HCl tablets. Parallel dissolution and chromatographic experiments were conducted alongside Raman experiments to assess and compare the performance and capabilities of portable Raman instruments in determining critical drug attributes. All batches tested passed the 30min dissolution specification and the Raman model for drug release was able to essentially reproduce the dissolution profiles obtained by ultraviolet spectroscopy at 276nm for all five batches of the 500mg ciprofloxacin tablets. The five batches of 500mg ciprofloxacin tablets also passed the potency (assay) specification and the % label claim for the entire set of tablets run were nearly identical, 99.4±5.1 for the portable Raman method and 99.2±1.2 for the chromatographic method. The results indicate that portable Raman spectrometers can be used to perform quantitative analysis of critical product attributes of finished drug products. The findings of this study indicate that portable Raman may have applications in the areas of process analytical technology and rapid pharmaceutical surveillance. Published by Elsevier B.V.

Enhanced poly(L-malic acid) production from pretreated cane molasses by Aureobasidium pullulans in fed-batch fermentation.

PubMed

Xia, Jun; Xu, Jiaxing; Hu, Lei; Liu, Xiaoyan

2016-11-16

Poly(L-malic acid) (PMA) is a natural polyester with many attractive properties for biomedical application. However, the cost of PMA production is high when glucose is used as a carbon source. To solve this problem, cane molasses as a low-cost feedstock was applied for the production of PMA. Six pretreatment methods were applied to cane molasses before fermentation. Pretreatment with combined tricalcium phosphate, potassium ferrocyanide, and sulfuric acid (TPFSA) removed significant amounts of metal ions from cane molasses. The PMA concentration increased from 5.4 g/L (untreated molasses) to 36.9 g/L (TPFSA-pretreated molasses) after fermentation in shake flasks. A fed-batch fermentation strategy was then developed. In this method, TPFSA-pretreated cane molasses solution was continuously fed into the fermentor to maintain the total sugar concentration at 20 g/L. This technique generated approximately 95.4 g/L PMA with a productivity of 0.57 g/L/hr. The present study indicated that fed-batch fermentation using pretreated cane molasses is a feasible technique for producing high amounts of PMA.

Precision production: enabling deterministic throughput for precision aspheres with MRF

NASA Astrophysics Data System (ADS)

Maloney, Chris; Entezarian, Navid; Dumas, Paul

2017-10-01

Aspherical lenses offer advantages over spherical optics by improving image quality or reducing the number of elements necessary in an optical system. Aspheres are no longer being used exclusively by high-end optical systems but are now replacing spherical optics in many applications. The need for a method of production-manufacturing of precision aspheres has emerged and is part of the reason that the optics industry is shifting away from artisan-based techniques towards more deterministic methods. Not only does Magnetorheological Finishing (MRF) empower deterministic figure correction for the most demanding aspheres but it also enables deterministic and efficient throughput for series production of aspheres. The Q-flex MRF platform is designed to support batch production in a simple and user friendly manner. Thorlabs routinely utilizes the advancements of this platform and has provided results from using MRF to finish a batch of aspheres as a case study. We have developed an analysis notebook to evaluate necessary specifications for implementing quality control metrics. MRF brings confidence to optical manufacturing by ensuring high throughput for batch processing of aspheres.

[Determination of short chain chlorinated paraffins in polyvinyl chloride plastics by gas chromatography-negative chemical ion/mass spectrometry].

PubMed

Xing, Yuanna; Lin, Zhihui; Feng, Anhong; Wang, Xin; Gong, Yemeng; Chen, Zeyong

2015-02-01

A novel method was established to determine short chain chlorinated paraffins (SC-CPs) in polyvinyl chloride (PVC) plastics by gas chromatography-negative chemical ion/mass spectrometry (GC-NCI/MS). Ultrasonic extraction was used to extract SCCPs from PVC plastics. The optimal extraction time was 1.5 h, and concentrated sulfuric acid was adopted to purify the extracted solution. Finally, SCCPs in a sample were detected by GC-NCI/MS at 160 C and with methane reagent gas at 1. 5 mL/min. This method was not influenced by medium chain chlorinated paraffins (MCCPs) in the sample, and accurate quantitation was made for SCCPs. Twelve batches of samples were analyzed and SCCPs were detected in each batch with the contents from 0. 3 x 10(2)mg/kg to 3. 5 x 10(4)mg/kg. With respect to European limitation of SC-CPs (1%), four batches of samples did not comply with the European regulation, and they accounted for 33. 3%. Obviously, high SCCPs risk was presented in PVC plastics.

Robust iterative learning control for multi-phase batch processes: an average dwell-time method with 2D convergence indexes

NASA Astrophysics Data System (ADS)

Wang, Limin; Shen, Yiteng; Yu, Jingxian; Li, Ping; Zhang, Ridong; Gao, Furong

2018-01-01

In order to cope with system disturbances in multi-phase batch processes with different dimensions, a hybrid robust control scheme of iterative learning control combined with feedback control is proposed in this paper. First, with a hybrid iterative learning control law designed by introducing the state error, the tracking error and the extended information, the multi-phase batch process is converted into a two-dimensional Fornasini-Marchesini (2D-FM) switched system with different dimensions. Second, a switching signal is designed using the average dwell-time method integrated with the related switching conditions to give sufficient conditions ensuring stable running for the system. Finally, the minimum running time of the subsystems and the control law gains are calculated by solving the linear matrix inequalities. Meanwhile, a compound 2D controller with robust performance is obtained, which includes a robust extended feedback control for ensuring the steady-state tracking error to converge rapidly. The application on an injection molding process displays the effectiveness and superiority of the proposed strategy.

Development and application of computer assisted optimal method for treatment of femoral neck fracture.

PubMed

Wang, Monan; Zhang, Kai; Yang, Ning

2018-04-09

To help doctors decide their treatment from the aspect of mechanical analysis, the work built a computer assisted optimal system for treatment of femoral neck fracture oriented to clinical application. The whole system encompassed the following three parts: Preprocessing module, finite element mechanical analysis module, post processing module. Preprocessing module included parametric modeling of bone, parametric modeling of fracture face, parametric modeling of fixed screw and fixed position and input and transmission of model parameters. Finite element mechanical analysis module included grid division, element type setting, material property setting, contact setting, constraint and load setting, analysis method setting and batch processing operation. Post processing module included extraction and display of batch processing operation results, image generation of batch processing operation, optimal program operation and optimal result display. The system implemented the whole operations from input of fracture parameters to output of the optimal fixed plan according to specific patient real fracture parameter and optimal rules, which demonstrated the effectiveness of the system. Meanwhile, the system had a friendly interface, simple operation and could improve the system function quickly through modifying single module.

Quantification of isotopic turnover in agricultural systems

NASA Astrophysics Data System (ADS)

Braun, A.; Auerswald, K.; Schnyder, H.

2012-04-01

The isotopic turnover, which is a proxy for the metabolic rate, is gaining scientific importance. It is quantified for an increasing range of organisms, from microorganisms over plants to animals including agricultural livestock. Additionally, the isotopic turnover is analyzed on different scales, from organs to organisms to ecosystems and even to the biosphere. In particular, the quantification of the isotopic turnover of specific tissues within the same organism, e.g. organs like liver and muscle and products like milk and faeces, has brought new insights to improve understanding of nutrient cycles and fluxes, respectively. Thus, the knowledge of isotopic turnover is important in many areas, including physiology, e.g. milk synthesis, ecology, e.g. soil retention time of water, and medical science, e.g. cancer diagnosis. So far, the isotopic turnover is quantified by applying time, cost and expertise intensive tracer experiments. Usually, this comprises two isotopic equilibration periods. A first equilibration period with a constant isotopic input signal is followed by a second equilibration period with a distinct constant isotopic input signal. This yields a smooth signal change from the first to the second signal in the object under consideration. This approach reveals at least three major problems. (i) The input signals must be controlled isotopically, which is almost impossible in many realistic cases like free ranging animals. (ii) Both equilibration periods may be very long, especially when the turnover rate of the object under consideration is very slow, which aggravates the first problem. (iii) The detection of small or slow pools is improved by large isotopic signal changes, but large isotopic changes also involve a considerable change in the input material; e.g. animal studies are usually carried out as diet-switch experiments, where the diet is switched between C3 and C4 plants, since C3 and C4 plants differ strongly in their isotopic signal. The additional change in nutrition induces changes in physiology that are likely to bias the estimation of the isotopic turnover. We designed an experiment with lactating cows which were successively exposed to the diet's natural isotopic variation and a diet-switch. We examined whether the same turnover information can be obtained from the natural (uncontrolled, short-term) isotopic variation as from the diet-switch experiment. Statistical methods to retrieve the turnover characteristics comprised multi-pool compartmental modeling for the diet-switch experiment as well as correlation analysis to perform wiggle-matching and quantification of autocorrelation (geostatistics) for the analysis of the natural variation. All three methods yielded similar results but differed in their strengths and weaknesses that will be highlighted. Combining the strengths of the new methods can make this tool even more advantageous than diet-switch experiments in many cases. In particular, the new approach empowers studying isotope turnover under a wider range of keepings, wildlife conditions and species, yielding turnover estimates that are not biased by changes in nutrition.

Assessing the use of food coloring as an appropriate visual guide for homogenously mixed capsule powders in extemporaneous compounding.

PubMed

Hoffmann, Brittany; Carlson, Christie; Rao, Deepa A

2014-01-01

The purpose of this work was to assess the use of food colors as a visual aid to determine homogeneous mixing in the extemporaneous preparation of capsules. Six different batches of progesterone slow-release 200-mg capsules were prepared by different mixing methods until visually determined as homogeneous based on yellow food coloring distribution in the preparation by the Central Iowa Compounding Pharmacy, Des Moines, Iowa. UV-Vis spectrophotometry was used to extract and evaluate yellow food coloring content in each of these batches and compared to an in-house, small-batch geometric dilution preparation of progesterone slow- release 200-mg capsules. Of the 6 batches tested, only one, which followed the principles of additive dilution and an appropriate mixing time, was both visually and quantitatively homogeneous in the detection of yellow food coloring. The use of food coloring alone is not a valid quality-assurance tool in determining homogeneous mixing. Principles of geometric and/or additive dilution and appropriate mixing times along with the food color can serve as a quality-assurance tool.

Bioconversion of Agricultural Waste to Ethanol by SSF Using Recombinant Cellulase from Clostridium thermocellum

PubMed Central

Mutreja, Ruchi; Das, Debasish; Goyal, Dinesh; Goyal, Arun

2011-01-01

The effect of different pretreatment methods, temperature, and enzyme concentration on ethanol production from 8 lignocellulosic agrowaste by simultaneous saccharification and fermentation (SSF) using recombinant cellulase and Saccharomyces cerevisiae were studied. Recombinant cellulase was isolated from E. coli BL21 cells transformed with CtLic26A-Cel5-CBM11 full-length gene from Clostridium thermocellum and produced in both batch and fed-batch processes. The maximum cell OD and specific activity in batch mode were 1.6 and 1.91 U/mg, respectively, whereas in the fed-batch mode, maximum cell OD and specific activity were 3.8 and 3.5 U/mg, respectively, displaying a 2-fold increase. Eight substrates, Syzygium cumini (jamun), Azadirachta indica (neem), Saracens indica (asoka), bambusa dendrocalmus (bamboo), Populas nigra (poplar), Achnatherum hymenoides (wild grass), Eucalyptus marginata (eucalyptus), and Mangifera indica (mango), were subjected to SSF. Of three pretreatments, acid, alkali, and steam explosion, acid pretreatment Syzygium cumini (Jamun) at 30°C gave maximum ethanol yield of 1.42 g/L. PMID:21811671

Bioconversion of Agricultural Waste to Ethanol by SSF Using Recombinant Cellulase from Clostridium thermocellum.

PubMed

Mutreja, Ruchi; Das, Debasish; Goyal, Dinesh; Goyal, Arun

2011-01-01

The effect of different pretreatment methods, temperature, and enzyme concentration on ethanol production from 8 lignocellulosic agrowaste by simultaneous saccharification and fermentation (SSF) using recombinant cellulase and Saccharomyces cerevisiae were studied. Recombinant cellulase was isolated from E. coli BL21 cells transformed with CtLic26A-Cel5-CBM11 full-length gene from Clostridium thermocellum and produced in both batch and fed-batch processes. The maximum cell OD and specific activity in batch mode were 1.6 and 1.91 U/mg, respectively, whereas in the fed-batch mode, maximum cell OD and specific activity were 3.8 and 3.5 U/mg, respectively, displaying a 2-fold increase. Eight substrates, Syzygium cumini (jamun), Azadirachta indica (neem), Saracens indica (asoka), bambusa dendrocalmus (bamboo), Populas nigra (poplar), Achnatherum hymenoides (wild grass), Eucalyptus marginata (eucalyptus), and Mangifera indica (mango), were subjected to SSF. Of three pretreatments, acid, alkali, and steam explosion, acid pretreatment Syzygium cumini (Jamun) at 30°C gave maximum ethanol yield of 1.42 g/L.

Study on Molasses Concentration from Sugarcanne Bagasse for Biohydrogen Production using Enriched Granular Activated Carbon (GAC) Immobilised Cells by Repeated Batch Cultivation

NASA Astrophysics Data System (ADS)

Idris, Norfatiha; Aminah Lutpi, Nabilah; Ruhaizul Che Ridzuan, Che Mohd; Shian, Wong Yee; Nuraiti Tengku Izhar, Tengku

2018-03-01

Repeated batch cultivation is known as most attractive method in improving hydrogen productivity, due to the facts that this approach could minimize the reuse of the cell and the inoculum preparation. In addition, with the combination of attach growth system during the fermentation processes to produce biohydrogen, the density of cells will be increased and the cell washout could be avoided. Therefore, this study aimed to examine the effectiveness of repeated batch cultivation for enrichment of anaerobic mixed culture onto granular activated carbon (GAC) and investigate the effect of molasses concentration during immobilization of mixed culture onto the GAC. The molasses concentration using 50 %, 40 %, 30 %, 20 % and 10 % of diluted molasses were used as feedstock in the fermentation process. The maximum hydrogen production of 60 ml was obtained at 30 % of molasses concentration with 831 ppm of hydrogen concentration. Thus, the kinetic parameter obtained from the batch profiling based on modified Gompertz equation are, Hm= 58 ml for the maximum hydrogen production and Rm= 2.02 ml/h representing the hydrogen production rate.

Graphics Flutter Analysis Methods, an interactive computing system at Lockheed-California Company

NASA Technical Reports Server (NTRS)

Radovcich, N. A.

1975-01-01

An interactive computer graphics system, Graphics Flutter Analysis Methods (GFAM), was developed to complement FAMAS, a matrix-oriented batch computing system, and other computer programs in performing complex numerical calculations using a fully integrated data management system. GFAM has many of the matrix operation capabilities found in FAMAS, but on a smaller scale, and is utilized when the analysis requires a high degree of interaction between the engineer and computer, and schedule constraints exclude the use of batch entry programs. Applications of GFAM to a variety of preliminary design, development design, and project modification programs suggest that interactive flutter analysis using matrix representations is a feasible and cost effective computing tool.

Fast batch injection analysis system for on-site determination of ethanol in gasohol and fuel ethanol.

PubMed

Pereira, Polyana F; Marra, Mariana C; Munoz, Rodrigo A A; Richter, Eduardo M

2012-02-15

A simple, accurate and fast (180 injections h(-1)) batch injection analysis (BIA) system with multiple-pulse amperometric detection has been developed for selective determination of ethanol in gasohol and fuel ethanol. A sample aliquot (100 μL) was directly injected onto a gold electrode immersed in 0.5 mol L(-1) NaOH solution (unique reagent). The proposed BIA method requires minimal sample manipulation and can be easily used for on-site analysis. The results obtained with the BIA method were compared to those obtained by gas-chromatography and similar results were obtained (at 95% of confidence level). Published by Elsevier B.V.

A short term quality control tool for biodegradable microspheres.

PubMed

D'Souza, Susan; Faraj, Jabar A; Dorati, Rossella; DeLuca, Patrick P

2014-06-01

Accelerated in vitro release testing methodology has been developed as an indicator of product performance to be used as a discriminatory quality control (QC) technique for the release of clinical and commercial batches of biodegradable microspheres. While product performance of biodegradable microspheres can be verified by in vivo and/or in vitro experiments, such evaluation can be particularly challenging because of slow polymer degradation, resulting in extended study times, labor, and expense. Three batches of Leuprolide poly(lactic-co-glycolic acid) (PLGA) microspheres having varying morphology (process variants having different particle size and specific surface area) were manufactured by the solvent extraction/evaporation technique. Tests involving in vitro release, polymer degradation and hydration of the microspheres were performed on the three batches at 55°C. In vitro peptide release at 55°C was analyzed using a previously derived modification of the Weibull function termed the modified Weibull equation (MWE). Experimental observations and data analysis confirm excellent reproducibility studies within and between batches of the microsphere formulations demonstrating the predictability of the accelerated experiments at 55°C. The accelerated test method was also successfully able to distinguish the in vitro product performance between the three batches having varying morphology (process variants), indicating that it is a suitable QC tool to discriminate product or process variants in clinical or commercial batches of microspheres. Additionally, data analysis utilized the MWE to further quantify the differences obtained from the accelerated in vitro product performance test between process variants, thereby enhancing the discriminatory power of the accelerated methodology at 55°C.

Learning to perceive in the sensorimotor approach: Piaget’s theory of equilibration interpreted dynamically

PubMed Central

Di Paolo, Ezequiel Alejandro; Barandiaran, Xabier E.; Beaton, Michael; Buhrmann, Thomas

2014-01-01

Learning to perceive is faced with a classical paradox: if understanding is required for perception, how can we learn to perceive something new, something we do not yet understand? According to the sensorimotor approach, perception involves mastery of regular sensorimotor co-variations that depend on the agent and the environment, also known as the “laws” of sensorimotor contingencies (SMCs). In this sense, perception involves enacting relevant sensorimotor skills in each situation. It is important for this proposal that such skills can be learned and refined with experience and yet up to this date, the sensorimotor approach has had no explicit theory of perceptual learning. The situation is made more complex if we acknowledge the open-ended nature of human learning. In this paper we propose Piaget’s theory of equilibration as a potential candidate to fulfill this role. This theory highlights the importance of intrinsic sensorimotor norms, in terms of the closure of sensorimotor schemes. It also explains how the equilibration of a sensorimotor organization faced with novelty or breakdowns proceeds by re-shaping pre-existing structures in coupling with dynamical regularities of the world. This way learning to perceive is guided by the equilibration of emerging forms of skillful coping with the world. We demonstrate the compatibility between Piaget’s theory and the sensorimotor approach by providing a dynamical formalization of equilibration to give an explicit micro-genetic account of sensorimotor learning and, by extension, of how we learn to perceive. This allows us to draw important lessons in the form of general principles for open-ended sensorimotor learning, including the need for an intrinsic normative evaluation by the agent itself. We also explore implications of our micro-genetic account at the personal level. PMID:25126065

Learning to perceive in the sensorimotor approach: Piaget's theory of equilibration interpreted dynamically.

PubMed

Di Paolo, Ezequiel Alejandro; Barandiaran, Xabier E; Beaton, Michael; Buhrmann, Thomas

2014-01-01

if understanding is required for perception, how can we learn to perceive something new, something we do not yet understand? According to the sensorimotor approach, perception involves mastery of regular sensorimotor co-variations that depend on the agent and the environment, also known as the "laws" of sensorimotor contingencies (SMCs). In this sense, perception involves enacting relevant sensorimotor skills in each situation. It is important for this proposal that such skills can be learned and refined with experience and yet up to this date, the sensorimotor approach has had no explicit theory of perceptual learning. The situation is made more complex if we acknowledge the open-ended nature of human learning. In this paper we propose Piaget's theory of equilibration as a potential candidate to fulfill this role. This theory highlights the importance of intrinsic sensorimotor norms, in terms of the closure of sensorimotor schemes. It also explains how the equilibration of a sensorimotor organization faced with novelty or breakdowns proceeds by re-shaping pre-existing structures in coupling with dynamical regularities of the world. This way learning to perceive is guided by the equilibration of emerging forms of skillful coping with the world. We demonstrate the compatibility between Piaget's theory and the sensorimotor approach by providing a dynamical formalization of equilibration to give an explicit micro-genetic account of sensorimotor learning and, by extension, of how we learn to perceive. This allows us to draw important lessons in the form of general principles for open-ended sensorimotor learning, including the need for an intrinsic normative evaluation by the agent itself. We also explore implications of our micro-genetic account at the personal level.

Development and evaluation of a 16S ribosomal DNA array-based approach for describing complex microbial communities in ready-to-eat vegetable salads packed in a modified atmosphere.

PubMed

Rudi, Knut; Flateland, Signe L; Hanssen, Jon Fredrik; Bengtsson, Gunnar; Nissen, Hilde

2002-03-01

There is a clear need for new approaches in the field of microbial community analyses, since the methods used can be severely biased. We have developed a DNA array-based method that targets 16S ribosomal DNA (rDNA), enabling the direct detection and quantification of microorganisms from complex communities without cultivation. The approach is based on the construction of specific probes from the 16S rDNA sequence data retrieved directly from the communities. The specificity of the assay is obtained through a combination of DNA array hybridization and enzymatic labeling of the constructed probes. Cultivation-dependent assays (enrichment and plating) and cultivation-independent assays (direct fluorescence microscopy and scanning electron microscopy) were used as reference methods in the development and evaluation of the method. The description of microbial communities in ready-to-eat vegetable salads in a modified atmosphere was used as the experimental model. Comparisons were made with respect to the effect of storage at different temperatures for up to 12 days and with respect to the geographic origin of the crisphead lettuce (Spanish or Norwegian), the main salad component. The conclusion drawn from the method comparison was that the DNA array-based method gave an accurate description of the microbial communities. Pseudomonas spp. dominated both of the salad batches, containing either Norwegian or Spanish lettuce, before storage and after storage at 4 degrees C. The Pseudomonas population also dominated the batch containing Norwegian lettuce after storage at 10 degrees C. On the contrary, Enterobacteriaceae and lactic acid bacteria dominated the microbial community of the batch containing Spanish lettuce after storage at 10 degrees C. In that batch, the Enterobacteriaceae also were abundant after storage at 4 degrees C as well as before storage. The practical implications of these results are that microbial communities in ready-to-eat vegetable salads can be diverse and that microbial composition is dependent both on the origin of the raw material and on the storage conditions.

Development and Evaluation of a 16S Ribosomal DNA Array-Based Approach for Describing Complex Microbial Communities in Ready-To-Eat Vegetable Salads Packed in a Modified Atmosphere

PubMed Central

Rudi, Knut; Flateland, Signe L.; Hanssen, Jon Fredrik; Bengtsson, Gunnar; Nissen, Hilde

2002-01-01

There is a clear need for new approaches in the field of microbial community analyses, since the methods used can be severely biased. We have developed a DNA array-based method that targets16S ribosomal DNA (rDNA), enabling the direct detection and quantification of microorganisms from complex communities without cultivation. The approach is based on the construction of specific probes from the 16S rDNA sequence data retrieved directly from the communities. The specificity of the assay is obtained through a combination of DNA array hybridization and enzymatic labeling of the constructed probes. Cultivation-dependent assays (enrichment and plating) and cultivation-independent assays (direct fluorescence microscopy and scanning electron microscopy) were used as reference methods in the development and evaluation of the method. The description of microbial communities in ready-to-eat vegetable salads in a modified atmosphere was used as the experimental model. Comparisons were made with respect to the effect of storage at different temperatures for up to 12 days and with respect to the geographic origin of the crisphead lettuce (Spanish or Norwegian), the main salad component. The conclusion drawn from the method comparison was that the DNA array-based method gave an accurate description of the microbial communities. Pseudomonas spp. dominated both of the salad batches, containing either Norwegian or Spanish lettuce, before storage and after storage at 4°C. The Pseudomonas population also dominated the batch containing Norwegian lettuce after storage at 10°C. On the contrary, Enterobacteriaceae and lactic acid bacteria dominated the microbial community of the batch containing Spanish lettuce after storage at 10°C. In that batch, the Enterobacteriaceae also were abundant after storage at 4°C as well as before storage. The practical implications of these results are that microbial communities in ready-to-eat vegetable salads can be diverse and that microbial composition is dependent both on the origin of the raw material and on the storage conditions. PMID:11872462

Nonlinear finite element model updating for damage identification of civil structures using batch Bayesian estimation

NASA Astrophysics Data System (ADS)

Ebrahimian, Hamed; Astroza, Rodrigo; Conte, Joel P.; de Callafon, Raymond A.

2017-02-01

This paper presents a framework for structural health monitoring (SHM) and damage identification of civil structures. This framework integrates advanced mechanics-based nonlinear finite element (FE) modeling and analysis techniques with a batch Bayesian estimation approach to estimate time-invariant model parameters used in the FE model of the structure of interest. The framework uses input excitation and dynamic response of the structure and updates a nonlinear FE model of the structure to minimize the discrepancies between predicted and measured response time histories. The updated FE model can then be interrogated to detect, localize, classify, and quantify the state of damage and predict the remaining useful life of the structure. As opposed to recursive estimation methods, in the batch Bayesian estimation approach, the entire time history of the input excitation and output response of the structure are used as a batch of data to estimate the FE model parameters through a number of iterations. In the case of non-informative prior, the batch Bayesian method leads to an extended maximum likelihood (ML) estimation method to estimate jointly time-invariant model parameters and the measurement noise amplitude. The extended ML estimation problem is solved efficiently using a gradient-based interior-point optimization algorithm. Gradient-based optimization algorithms require the FE response sensitivities with respect to the model parameters to be identified. The FE response sensitivities are computed accurately and efficiently using the direct differentiation method (DDM). The estimation uncertainties are evaluated based on the Cramer-Rao lower bound (CRLB) theorem by computing the exact Fisher Information matrix using the FE response sensitivities with respect to the model parameters. The accuracy of the proposed uncertainty quantification approach is verified using a sampling approach based on the unscented transformation. Two validation studies, based on realistic structural FE models of a bridge pier and a moment resisting steel frame, are performed to validate the performance and accuracy of the presented nonlinear FE model updating approach and demonstrate its application to SHM. These validation studies show the excellent performance of the proposed framework for SHM and damage identification even in the presence of high measurement noise and/or way-out initial estimates of the model parameters. Furthermore, the detrimental effects of the input measurement noise on the performance of the proposed framework are illustrated and quantified through one of the validation studies.

Methods for batch fabrication of cold cathode vacuum switch tubes

DOEpatents

Walker, Charles A [Albuquerque, NM; Trowbridge, Frank R [Albuquerque, NM

2011-05-10

Methods are disclosed for batch fabrication of vacuum switch tubes that reduce manufacturing costs and improve tube to tube uniformity. The disclosed methods comprise creating a stacked assembly of layers containing a plurality of adjacently spaced switch tube sub-assemblies aligned and registered through common layers. The layers include trigger electrode layer, cathode layer including a metallic support/contact with graphite cathode inserts, trigger probe sub-assembly layer, ceramic (e.g. tube body) insulator layer, and metallic anode sub-assembly layer. Braze alloy layers are incorporated into the stacked assembly of layers, and can include active metal braze alloys or direct braze alloys, to eliminate costs associated with traditional metallization of the ceramic insulator layers. The entire stacked assembly is then heated to braze/join/bond the stack-up into a cohesive body, after which individual switch tubes are singulated by methods such as sawing. The inventive methods provide for simultaneously fabricating a plurality of devices as opposed to traditional methods that rely on skilled craftsman to essentially hand build individual devices.

TiO2-photocatalyzed As(III) oxidation in a fixed-bed, flow-through reactor.

PubMed

Ferguson, Megan A; Hering, Janet G

2006-07-01

Compliance with the U.S. drinking water standard for arsenic (As) of 10 microg L(-1) is required in January 2006. This will necessitate implementation of treatment technologies for As removal by thousands of water suppliers. Although a variety of such technologies is available, most require preoxidation of As(III) to As(V) for efficient performance. Previous batch studies with illuminated TiO2 slurries have demonstrated that TiO2-photocatalyzed AS(III) oxidation occurs rapidly. This study examined reaction efficiency in a flow-through, fixed-bed reactor that provides a better model for treatment in practice. Glass beads were coated with mixed P25/sol gel TiO2 and employed in an upflow reactor irradiated from above. The reactor residence time, influent As(III) concentration, number of TiO2 coatings on the beads, solution matrix, and light source were varied to characterize this reaction and determine its feasibility for water treatment. Repeated usage of the same beads in multiple experiments or extended use was found to affect effluent As(V) concentrations but not the steady-state effluent As(III) concentration, which suggests that As(III) oxidation at the TiO2 surface undergoes dynamic sorption equilibration. Catalyst poisoning was not observed either from As(V) or from competitively adsorbing anions, although the higher steady-state effluent As(III) concentrations in synthetic groundwater compared to 5 mM NaNO3 indicated that competitive sorbates in the matrix partially hinder the reaction. A reactive transport model with rate constants proportional to incident light at each bead layer fit the experimental data well despite simplifying assumptions. TiO2-photocatalyzed oxidation of As(III) was also effective under natural sunlight. Limitations to the efficiency of As(III) oxidation in the fixed-bed reactor were attributable to constraints of the reactor geometry, which could be overcome by improved design. The fixed-bed TiO2 reactor offers an environmentally benign method for As(III) oxidation.

[Effects of soil trituration size on adsorption of oxytetracycline on soils].

PubMed

Qi, Rui-Huan; Li, Zhao-Jun; Long, Jian; Fan, Fei-Fei; Liang, Yong-Chao

2011-02-01

In order to understand the effects of soil trituration size on adsorption of oxytetracycline (OTC) on soils, two contrasting soils including moisture soil and purplish soil were selected to investigate adsorption of OTC on these soils, at the scales of no more than 0.20 mm, 0.84 mm, 0.25 mm and 0.15 mm, using the method of batch equilibrium experiments respectively. The results presented as the following: (1) Adsorption amount of OTC on moisture soil and purplish soil increased with the sampling time, and reached to equilibration at 24 h. First-order kinetic model, second-order kinetic model, parabolic-diffusion kinetic model, Elovich kinetic model, and two-constant kinetic model could be used to fit the changes in adsorption on soils with sampling time. Adsorption of OTC on two soils consisted of two processes such as quick adsorption and slow adsorption. Quick adsorption process happened during the period of 0-0.5 h. The adsorption rates of OTC on soils were higher at the small trituration size than those at the large trituration size, and at the same trituration size, the k(f) of purplish soil was about two times higher than those of moisture soil. (2) Adsorption isotherms of OTC on two soils with different trituration sizes were deviated from the linear model. The data were fitted well to Freundlich and Langmuir models, with the correlation coefficients between 0.956 and 0.999. The values of k(f) and q(m) for purplish soil were higher than those for moisture soil. At the same soil, adsorption amount of OTC increased with the decreases of soil trituration size. The results suggested that it is important to select the appropriate trituration size, based on the physical and chemical properties such as soil particle composition and so on, when the fate of antibiotics on soils was investigated.

A simple method for measuring porcine circovirus 2 whole virion particles and standardizing vaccine formulation.

PubMed

Zanotti, Cinzia; Amadori, Massimo

2015-03-01

Porcine Circovirus 2 (PCV2) is involved in porcine circovirus-associated disease, that causes great economic losses to the livestock industry worldwide. Vaccination against PCV2 proved to be very effective in reducing disease occurrence and it is currently performed on a large scale. Starting from a previous model concerning Foot-and Mouth Disease Virus antigens, we developed a rapid and simple method to quantify PCV2 whole virion particles in inactivated vaccines. This procedure, based on sucrose gradient analysis and fluorometric evaluation of viral genomic content, allows for a better standardization of the antigen payload in vaccine batches. It also provides a valid indication of virion integrity. Most important, such a method can be applied to whole virion vaccines regardless of the production procedures, thus enabling meaningful comparisons on a common basis. In a future batch consistency approach to PCV2 vaccine manufacture, our procedure represents a valuable tool to improve in-process controls and to guarantee conformity of the final product with passmarks for approval. This might have important repercussions in terms of reduced usage of animals for vaccine batch release, in the framework of the current 3Rs policy. Copyright © 2015 The International Alliance for Biological Standardization. Published by Elsevier Ltd. All rights reserved.

The effect of natural organic matter on mercury methylation by Desulfobulbus propionicus 1pr3

USGS Publications Warehouse

Moreau, John W.; Gionfriddo, Caitlin M.; Krabbenhoft, David P.; Ogorek, Jacob M.; DeWild, John F.; Aiken, George R.; Roden, Eric E.

2015-01-01

Methylation of tracer and ambient mercury (200Hg and 202Hg, respectively) equilibrated with four different natural organic matter (NOM) isolates was investigated in vivo using the Hg-methylating sulfate-reducing bacterium Desulfobulbus propionicus 1pr3. Desulfobulbus cultures grown fermentatively with environmentally representative concentrations of dissolved NOM isolates, Hg[II], and HS− were assayed for absolute methylmercury (MeHg) concentration and conversion of Hg(II) to MeHg relative to total unfiltered Hg(II). Results showed the 200Hg tracer was methylated more efficiently in the presence of hydrophobic NOM isolates than in the presence of transphilic NOM, or in the absence of NOM. Different NOM isolates were associated with variable methylation efficiencies for either the 202Hg tracer or ambient 200Hg. One hydrophobic NOM, F1 HpoA derived from dissolved organic matter from the Florida Everglades, was equilibrated for different times with Hg tracer, which resulted in different methylation rates. A 5 day equilibration with F1 HpoA resulted in more MeHg production than either the 4 h or 30 day equilibration periods, suggesting a time dependence for NOM-enhanced Hg bioavailability for methylation.

Investigating the time-dependent zeta potential of wood surfaces.

PubMed

Muff, Livius F; Luxbacher, Thomas; Burgert, Ingo; Michen, Benjamin

2018-05-15

This work reports on streaming potential measurements through natural capillaries in wood and investigates the cause of a time-dependent zeta potential measured during the equilibration of wood cell-walls with an electrolyte solution. For the biomaterial, this equilibration phase takes several hours, which is much longer than for many other materials that have been characterized by electrokinetic measurements. During this equilibration phase the zeta potential magnitude is decaying due to two parallel mechanisms: (i) the swelling of the cell-wall which causes a dimensional change reducing the charge density at the capillary interface; (ii) the transport of ions from the electrolyte solution into the permeable cell-wall which alters the electrical potential at the interface by internal charge compensation. The obtained results demonstrate the importance of equilibration kinetics for an accurate determination of the zeta potential, especially for materials that interact strongly with the measurement electrolyte. Moreover, the change in zeta potential with time can be correlated with the bulk swelling of wood if the effect of electrolyte ion diffusion is excluded. This study shows the potential of streaming potential measurements of wood, and possibly of other hygroscopic and nanoporous materials, to reveal kinetic information about their interaction with liquids, such as swelling and ion uptake. Copyright © 2018 Elsevier Inc. All rights reserved.

An improved CeO2 method for high-precision measurements of 17O/16O ratios for atmospheric carbon dioxide.

PubMed

Mahata, Sasadhar; Bhattacharya, Sourandra K; Wang, Chung-Ho; Liang, Mao-Chang

2012-09-15

The oxygen isotopic composition of carbon dioxide originating at the Earth's surface is modified in the stratosphere by interaction with ozone which has anomalous oxygen isotope ratio (Δ(17)O = 1000 * ln(1 + δ(17)O/1000) - 0.522 * 1000 * ln (1 + δ(18)O/1000) >0). The inherited anomaly provides a powerful tracer for studying biogeochemical cycles involving CO(2). However, the existing methods are either too imprecise or have difficulty in determining the small Δ(17)O variations found in the tropospheric CO(2). In this study an earlier published CeO(2) and CO(2) exchange method has been modified and improved for measuring the Δ(17)O values of atmospheric carbon dioxide with high precision. The CO(2) fraction from air samples was separated by cryogenic means and purified using gas chromatography. This CO(2) was first analyzed in an isotope ratio mass spectrometer, then artificially equilibrated with hot CeO(2) to alter its oxygen isotopes mass-dependently and re-analyzed. From these data the (17)O/(16)O and (18)O/(16)O ratios were calculated and the Δ(17)O value was determined. The validity of the method was established in several tests by using artificially prepared CO(2) with zero and non-zero Δ(17)O values. The published value of the CO(2)-H(2) O equilibrium slope was also reproduced. The CO(2)-CeO(2) equilibration method has been improved to measure the oxygen isotope anomaly (Δ(17)O value) of atmospheric CO(2) with an analytical precision of ±0.12‰ (2σ). Copyright © 2012 John Wiley & Sons, Ltd.

Influence of solid-liquid separation method parameters employed in soil leaching tests on apparent metal concentration.

PubMed

Imoto, Yukari; Yasutaka, Tetsuo; Someya, Masayuki; Higashino, Kazuo

2018-05-15

Soil leaching tests are commonly used to evaluate the leachability of hazardous materials, such as heavy metals, from the soil. Batch leaching tests often enhance soil colloidal mobility and may require solid-liquid separation procedures to remove excess soil particles. However, batch leaching test results depend on particles that can pass through a 0.45μm membrane filter and are influenced by test parameters such as centrifugal intensity and filtration volume per filter. To evaluate these parameters, we conducted batch leaching experiments using metal-contaminated soils and focused on the centrifugal intensity and filtration volume per filter used in solid-liquid separation methods currently employed in standard leaching tests. Our experiments showed that both centrifugal intensity and filtration volume per filter affected the reproducibility of batch leaching tests for some soil types. The results demonstrated that metal concentrations in the filtrates significantly differed according to the centrifugal intensity when it was 3000 g for 2h or less. Increased filtration volume per filter led to significant decreases in filtrate metal concentrations when filter cakes formed during filtration. Comparison of the filtration tests using 0.10 and 0.45μm membrane filters showed statistically significant differences in turbidity and metal concentration. These findings suggest that colloidal particles were not adequately removed from the extract and contributed substantially to the apparent metal concentrations in the leaching test of soil containing colloidal metals. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Evaluation of Landsat-4 orbit determination accuracy using batch least-squares and sequential methods

NASA Astrophysics Data System (ADS)

Oza, D. H.; Jones, T. L.; Feiertag, R.; Samii, M. V.; Doll, C. E.; Mistretta, G. D.; Hart, R. C.

The Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) commissioned Applied Technology Associates, Incorporated, to develop the Real-Time Orbit Determination/Enhanced (RTOD/E) system on a Disk Operating System (DOS)-based personal computer (PC) as a prototype system for sequential orbit determination of spacecraft. This paper presents the results of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite (TDRS) System (TDRSS) user spacecraft, Landsat-4, obtained using RTOD/E, operating on a PC, with the accuracy of an established batch least-squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. The results of Landsat-4 orbit determination will provide useful experience for the Earth Observing System (EOS) series of satellites. The Landsat-4 ephemerides were estimated for the May 18-24, 1992, timeframe, during which intensive TDRSS tracking data for Landsat-4 were available. During this period, there were two separate orbit-adjust maneuvers on one of the TDRSS spacecraft (TDRS-East) and one small orbit-adjust maneuver for Landsat-4. Independent assessments were made of the consistencies (overlap comparisons for the batch case and covariances and the first measurement residuals for the sequential case) of solutions produced by the batch and sequential methods. The forward-filtered RTOD/E orbit solutions were compared with the definitive GTDS orbit solutions for Landsat-4; the solution differences were generally less than 30 meters after the filter had reached steady state.

Evaluation of Landsat-4 orbit determination accuracy using batch least-squares and sequential methods

NASA Technical Reports Server (NTRS)

Oza, D. H.; Jones, T. L.; Feiertag, R.; Samii, M. V.; Doll, C. E.; Mistretta, G. D.; Hart, R. C.

1993-01-01

The Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) commissioned Applied Technology Associates, Incorporated, to develop the Real-Time Orbit Determination/Enhanced (RTOD/E) system on a Disk Operating System (DOS)-based personal computer (PC) as a prototype system for sequential orbit determination of spacecraft. This paper presents the results of a study to compare the orbit determination accuracy for a Tracking and Data Relay Satellite (TDRS) System (TDRSS) user spacecraft, Landsat-4, obtained using RTOD/E, operating on a PC, with the accuracy of an established batch least-squares system, the Goddard Trajectory Determination System (GTDS), operating on a mainframe computer. The results of Landsat-4 orbit determination will provide useful experience for the Earth Observing System (EOS) series of satellites. The Landsat-4 ephemerides were estimated for the May 18-24, 1992, timeframe, during which intensive TDRSS tracking data for Landsat-4 were available. During this period, there were two separate orbit-adjust maneuvers on one of the TDRSS spacecraft (TDRS-East) and one small orbit-adjust maneuver for Landsat-4. Independent assessments were made of the consistencies (overlap comparisons for the batch case and covariances and the first measurement residuals for the sequential case) of solutions produced by the batch and sequential methods. The forward-filtered RTOD/E orbit solutions were compared with the definitive GTDS orbit solutions for Landsat-4; the solution differences were generally less than 30 meters after the filter had reached steady state.

Hybrid intelligent control of substrate feeding for industrial fed-batch chlortetracycline fermentation process.

PubMed

Jin, Huaiping; Chen, Xiangguang; Yang, Jianwen; Wu, Lei; Wang, Li

2014-11-01

The lack of accurate process models and reliable online sensors for substrate measurements poses significant challenges for controlling substrate feeding accurately, automatically and optimally in fed-batch fermentation industries. It is still a common practice to regulate the feeding rate based upon manual operations. To address this issue, a hybrid intelligent control method is proposed to enable automatic substrate feeding. The resulting control system consists of three modules: a presetting module for providing initial set-points; a predictive module for estimating substrate concentration online based on a new time interval-varying soft sensing algorithm; and a feedback compensator using expert rules. The effectiveness of the proposed approach is demonstrated through its successful applications to the industrial fed-batch chlortetracycline fermentation process. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

The consistency approach for quality control of vaccines - a strategy to improve quality control and implement 3Rs.

PubMed

De Mattia, Fabrizio; Chapsal, Jean-Michel; Descamps, Johan; Halder, Marlies; Jarrett, Nicholas; Kross, Imke; Mortiaux, Frederic; Ponsar, Cecile; Redhead, Keith; McKelvie, Jo; Hendriksen, Coenraad

2011-01-01

Current batch release testing of established vaccines emphasizes quality control of the final product and is often characterized by extensive use of animals. This report summarises the discussions of a joint ECVAM/EPAA workshop on the applicability of the consistency approach for routine release of human and veterinary vaccines and its potential to reduce animal use. The consistency approach is based upon thorough characterization of the vaccine during development and the principle that the quality of subsequent batches is the consequence of the strict application of a quality system and of a consistent production of batches. The concept of consistency of production is state-of-the-art for new-generation vaccines, where batch release is mainly based on non-animal methods. There is now the opportunity to introduce the approach into established vaccine production, where it has the potential to replace in vivo tests with non-animal tests designed to demonstrate batch quality while maintaining the highest quality standards. The report indicates how this approach may be further developed for application to established human and veterinary vaccines and emphasizes the continuing need for co-ordination and harmonization. It also gives recommendations for work to be undertaken in order to encourage acceptance and implementation of the consistency approach. Copyright © 2011. Published by Elsevier Ltd.. All rights reserved.

Enhancing tablet disintegration characteristics of a highly water-soluble high-drug-loading formulation by granulation process.

PubMed

Pandey, Preetanshu; Levins, Christopher; Pafiakis, Steve; Zacour, Brian; Bindra, Dilbir S; Trinh, Jade; Buckley, David; Gour, Shruti; Sharif, Shasad; Stamato, Howard

2018-07-01

The objective of this study was to improve the disintegration and dissolution characteristics of a highly water-soluble tablet matrix by altering the manufacturing process. A high disintegration time along with high dependence of the disintegration time on tablet hardness was observed for a high drug loading (70% w/w) API when formulated using a high-shear wet granulation (HSWG) process. Keeping the formulation composition mostly constant, a fluid-bed granulation (FBG) process was explored as an alternate granulation method using a 2 (4-1) fractional factorial design with two center points. FBG batches (10 batches) were manufactured using varying disingtegrant amount, spray rate, inlet temperature (T) and atomization air pressure. The resultant final blend particle size was affected significantly by spray rate (p = .0009), inlet T (p = .0062), atomization air pressure (p = .0134) and the interaction effect between inlet T*spray rate (p = .0241). The compactibility of the final blend was affected significantly by disintegrant amount (p < .0001), atomization air pressure (p = .0013) and spray rate (p = .05). It was observed that the fluid-bed batches gave significantly lower disintegration times than the HSWG batches, and mercury intrusion porosimetry data revealed that this was caused by the higher internal pore structure of tablets manufactured using the FBG batches.

Physicochemical Characteristics of Transferon™ Batches

PubMed Central

Pérez-Sánchez, Gilberto; Favari, Liliana; Estrada-Parra, Sergio

2016-01-01

Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes. PMID:27525277

Microstructure and Tensile Properties of BN/SiC Coated Hi-Nicalon, and Sylramic SiC Fiber Preforms. Revised

NASA Technical Reports Server (NTRS)

Bhatt, Ramakrishna T.; Chen, Yuan L.; Morscher, Gregory N.

2002-01-01

Batch to batch and within batch variations, and the influence of fiber architecture on room temperature physical and tensile properties of BN/SiC coated Hi-Nicalon and Sylramic SiC fiber preform specimens were determined. The three fiber architectures studied were plain weave (PW), 5-harness satin (5HS), and 8-harness satin (8HS). Results indicate that the physical properties vary up to 10 percent within a batch, and up to 20 percent between batches of preforms. Load-reload (Hysteresis) and acoustic emission methods were used to analyze damage accumulation occurring during tensile loading. Early acoustic emission activity, before observable hysteretic behavior, indicates that the damage starts with the formation of nonbridged tunnel cracks. These cracks then propagate and intersect the load bearing "0 deg" fibers giving rise to hysteretic behavior. For the Hi-Nicalon preform specimens, the onset of "0 deg" bundle cracking stress and strain appeared to be independent of the fiber architecture. Also, the "0 deg" fiber bundle cracking strain remained nearly the same for the preform specimens of both fiber types. TEM analysis indicates that the CVI BN interface coating is mostly amorphous and contains carbon and oxygen impurities, and the CVI SiC coating is crystalline. No reaction exists between the CVI BN and SiC coating.

Change of Monascus pigment metabolism and secretion in different extractive fermentation process.

PubMed

Chen, Gong; Tang, Rui; Tian, Xiaofei; Qin, Peng; Wu, Zhenqiang

2017-06-01

Monascus pigments that were generally produced intracellularly from Monascus spp. are important natural colorants in food industry. In this study, change of pigment metabolism and secretion was investigated through fed-batch extractive fermentation and continuous extractive fermentation. The biomass, secreting rate of pigment and total pigment yield closely correlated with the activated time of extractive fermentation as well as the composition of feeding nutrients. Metal ions played a key role in both the cell growth and pigment metabolism. Nitrogen source was necessary for a high productivity of biomass but not for high pigment yield. Furthermore, fermentation period for the fed-batch extractive fermentation could be reduced by 18.75% with a nitrogen source free feeding medium. Through a 30-day continuous extractive fermentation, the average daily productivity for total pigments reached 74.9 AU day -1 with an increase by 32.6 and 296.3% compared to that in a 6-day conventional batch fermentation and a 16-day fed-batch extractive fermentation, respectively. At the meantime, proportions of extracellular pigments increased gradually from 2.7 to 71.3%, and yellow pigments gradually became dominated in both intracellular and extracellular pigments in the end of continuous extractive fermentation. This findings showed that either fed-batch or continuous extractive fermentation acted as a promising method in the efficient production of Monascus pigments.

Microstructure and Tensile Properties of BN/SiC Coated Hi-Nicalon, and Sylramic SiC Fiber Preforms

NASA Technical Reports Server (NTRS)

Bhatt, Ramakrishna T.; Chen, Yuan L.; Morscher, Gregory N.

2001-01-01

Batch to batch and within batch variations, and the influence of fiber architecture on room temperature physical and tensile properties of BN/SiC coated Hi-Nicalon and Sylramic SiC fiber preform specimens were determined. The three fiber architectures studied were plain weave (PW), 5-harness satin (5HS) and 8-harness satin (8HS) Results indicate that the physical properties vary up to 10 percent within a batch, and up to 20 percent between batches of preforms. Load-reload (Hysteresis) and acoustic emission methods were used to analyze damage accumulation occurring during tensile loading. Early acoustic emission activity, before observable hysteretic behavior, indicates that the damage starts with the formation of nonbridged tunnel cracks. These cracks then propagate and intersect the load bearing "0" fibers giving rise to hysteretic behavior, For the Hi-Nicalon preform specimens, the onset of "0" bundle cracking stress and strain appeared to be independent of the fiber architecture. Also, the "0" fiber bundle cracking strain remained nearly the same for the preform specimens of both fiber types. Transmission Electron Microscope (TEM) analysis indicates that the Chemical Vapor Infiltration (CVI) Boron Nitride (BN) interface coating is mostly amorphous and contains carbon and oxygen impurities, and the CVI SiC coating is crystalline. No reaction exists between the CVI BN and SiC coating.

Impact of Sterile Compounding Batch Frequency on Pharmaceutical Waste.

PubMed

Abbasi, Ghalib; Gay, Evan

2017-01-01

Purpose: To measure the impact of increasing sterile compounding batch frequency on pharmaceutical waste as it relates to cost and quantity. Methods: Pharmaceutical IV waste at a tertiary care hospital was observed and recorded for 7 days. The batching frequency of compounded sterile products (CSPs) was then increased from twice daily to 4 times daily. After a washout period, pharmaceutical IV waste was then recorded for another 7 days. The quantity of units wasted and the cost were compared between both phases to determine the impact that batching frequency has on IV waste, specifically among high- and low-cost drugs. Results: Patient days increased from 2,459 during phase 1 to 2,617 during phase 2. The total number of CSPs wasted decreased from 3.6 to 2.7 doses per 100 patient days. Overall cost was reduced from $4,585.36 in phase 1 to $4,453.88 in phase 2. The value of wasted high-cost drugs per 100 patient days increased from $146 in phase 1 to $149 in phase 2 ( p > .05). The value of wasted low cost drugs per 100 patient days decreased from $41 in phase 1 to $21 in phase 2 ( p < .05). Conclusion: Lean batch IV methodology reduced overall waste quantity and cost. The highest impact of the intervention was observed among low-cost CSPs.

Justification of Drug Product Dissolution Rate and Drug Substance Particle Size Specifications Based on Absorption PBPK Modeling for Lesinurad Immediate Release Tablets.

PubMed

Pepin, Xavier J H; Flanagan, Talia R; Holt, David J; Eidelman, Anna; Treacy, Don; Rowlings, Colin E

2016-09-06

In silico absorption modeling has been performed, to assess the impact of in vitro dissolution on in vivo performance for ZURAMPIC (lesinurad) tablets. The dissolution profiles of lesinurad tablets generated using the quality control method were used as an input to a GastroPlus model to estimate in vivo dissolution in the various parts of the GI tract and predict human exposure. A model was set up, which accounts for differences of dosage form transit, dissolution, local pH in the GI tract, and fluid volumes available for dissolution. The predictive ability of the model was demonstrated by confirming that it can reproduce the Cmax observed for independent clinical trial. The model also indicated that drug product batches that pass the proposed dissolution specification of Q = 80% in 30 min are anticipated to be bioequivalent to the clinical reference batch. To further explore the dissolution space, additional simulations were performed using a theoretical dissolution profile below the proposed specification. The GastroPlus modeling indicates that such a batch will also be bioequivalent to standard clinical batches despite having a dissolution profile, which would fail the proposed dissolution specification of Q = 80% in 30 min. This demonstrates that the proposed dissolution specification sits comfortably within a region of dissolution performance where bioequivalence is anticipated and is not near an edge of failure for dissolution, providing additional confidence to the proposed specifications. Finally, simulations were performed using a virtual drug substance batch with a particle size distribution at the limit of the proposed specification for particle size. Based on these simulations, such a batch is also anticipated to be bioequivalent to clinical reference, demonstrating that the proposed specification limits for particle size distribution would give products bioequivalent to the pivotal clinical batches.

Batch Effect Confounding Leads to Strong Bias in Performance Estimates Obtained by Cross-Validation

PubMed Central

Delorenzi, Mauro

2014-01-01

Background With the large amount of biological data that is currently publicly available, many investigators combine multiple data sets to increase the sample size and potentially also the power of their analyses. However, technical differences (“batch effects”) as well as differences in sample composition between the data sets may significantly affect the ability to draw generalizable conclusions from such studies. Focus The current study focuses on the construction of classifiers, and the use of cross-validation to estimate their performance. In particular, we investigate the impact of batch effects and differences in sample composition between batches on the accuracy of the classification performance estimate obtained via cross-validation. The focus on estimation bias is a main difference compared to previous studies, which have mostly focused on the predictive performance and how it relates to the presence of batch effects. Data We work on simulated data sets. To have realistic intensity distributions, we use real gene expression data as the basis for our simulation. Random samples from this expression matrix are selected and assigned to group 1 (e.g., ‘control’) or group 2 (e.g., ‘treated’). We introduce batch effects and select some features to be differentially expressed between the two groups. We consider several scenarios for our study, most importantly different levels of confounding between groups and batch effects. Methods We focus on well-known classifiers: logistic regression, Support Vector Machines (SVM), k-nearest neighbors (kNN) and Random Forests (RF). Feature selection is performed with the Wilcoxon test or the lasso. Parameter tuning and feature selection, as well as the estimation of the prediction performance of each classifier, is performed within a nested cross-validation scheme. The estimated classification performance is then compared to what is obtained when applying the classifier to independent data. PMID:24967636

Hybrid Semiclassical Theory of Quantum Quenches in One-Dimensional Systems

NASA Astrophysics Data System (ADS)

Moca, Cǎtǎlin Paşcu; Kormos, Márton; Zaránd, Gergely

2017-09-01

We develop a hybrid semiclassical method to study the time evolution of one-dimensional quantum systems in and out of equilibrium. Our method handles internal degrees of freedom completely quantum mechanically by a modified time-evolving block decimation method while treating orbital quasiparticle motion classically. We can follow dynamics up to time scales well beyond the reach of standard numerical methods to observe the crossover between preequilibrated and locally phase equilibrated states. As an application, we investigate the quench dynamics and phase fluctuations of a pair of tunnel-coupled one-dimensional Bose condensates. We demonstrate the emergence of soliton-collision-induced phase propagation, soliton-entropy production, and multistep thermalization. Our method can be applied to a wide range of gapped one-dimensional systems.

Self-assembly of silk fibroin under osmotic stress

NASA Astrophysics Data System (ADS)

Sohn, Sungkyun

The supramolecular self-assembly behavior of silk fibroin was investigated using osmotic stress technique. In Chapter 2, a ternary phase diagram of water-silk-LiBr was constructed based on X-ray results on the osmotically stressed regenerated silk fibroin of Bombyx mori silkworm. Microscopic data indicated that silk I is a hydrated structure and a rough estimate of the number of water molecules lost by the structure upon converting from silk I to silk II has been made, and found to be about 2.2 per [GAGAGS] hexapeptide. In Chapter 3, wet-spinning of osmotically stressed, regenerated silk fibroin was performed, based on the prediction that the enhanced control over structure and phase behavior using osmotic stress method helps improve the physical properties of wet-spun regenerated silk fibroin fibers. The osmotic stress was applied in order to pre-structure the regenerated silk fibroin molecule from its original random coil state to more oriented state, manipulating the phase of the silk solution in the phase diagram before the start of spinning. Monofilament fiber with a diameter of 20 microm was produced. In Chapter 4, we investigated if there is a noticeable synergistic osmotic pressure increase between co-existing polymeric osmolyte and salt when extremely highly concentrated salt molecules are present both at sample subphase and stressing subphase, as is the case of silk fibroin self-assembly. The equilibration method that measures osmotic pressure relative to a reference with known osmotic pressure was introduced. Osmotic pressure of aqueous LiBr solution up to 2.75M was measured and it was found that the synergistic effect was insignificant up to this salt concentration. Solution parameters of stressing solutions and Arrhenius kinetics based on time-temperature relationship for the equilibration process were derived as well. In Chapter 5, self-assembly behavior of natural silk fibroin within the gland of Bombyx mori silkworm was investigated using osmotic stress technique. Microscopic and thermodynamic details of this self-assembly process along the spinline have been assessed. Formation of a needle-shaped molecular lath under appropriate osmotic stress was found. Silk I degree of hydration of silk gland was quantitatively estimated by image analysis of optical micrographs and the numbers varied from 2.2 to 2.7 depending on the region in the gland. Osmotic pressure in the gland was also estimated by equilibration method.

Phonon-magnon interaction in low dimensional quantum magnets observed by dynamic heat transport measurements.

PubMed

Montagnese, Matteo; Otter, Marian; Zotos, Xenophon; Fishman, Dmitry A; Hlubek, Nikolai; Mityashkin, Oleg; Hess, Christian; Saint-Martin, Romuald; Singh, Surjeet; Revcolevschi, Alexandre; van Loosdrecht, Paul H M

2013-04-05

Thirty-five years ago, Sanders and Walton [Phys. Rev. B 15, 1489 (1977)] proposed a method to measure the phonon-magnon interaction in antiferromagnets through thermal transport which so far has not been verified experimentally. We show that a dynamical variant of this approach allows direct extraction of the phonon-magnon equilibration time, yielding 400 μs for the cuprate spin-ladder system Ca(9)La(5)Cu(24)O(41). The present work provides a general method to directly address the spin-phonon interaction by means of dynamical transport experiments.

Experimental Techniques for Thermodynamic Measurements of Ceramics

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Putnam, Robert L.; Navrotsky, Alexandra

1999-01-01

Experimental techniques for thermodynamic measurements on ceramic materials are reviewed. For total molar quantities, calorimetry is used. Total enthalpies are determined with combustion calorimetry or solution calorimetry. Heat capacities and entropies are determined with drop calorimetry, differential thermal methods, and adiabatic calorimetry . Three major techniques for determining partial molar quantities are discussed. These are gas equilibration techniques, Knudsen cell methods, and electrochemical techniques. Throughout this report, issues unique to ceramics are emphasized. Ceramic materials encompass a wide range of stabilities and this must be considered. In general data at high temperatures is required and the need for inert container materials presents a particular challenge.

Fluctuating local field method probed for a description of small classical correlated lattices

NASA Astrophysics Data System (ADS)

Rubtsov, Alexey N.

2018-05-01

Thermal-equilibrated finite classical lattices are considered as a minimal model of the systems showing an interplay between low-energy collective fluctuations and single-site degrees of freedom. Standard local field approach, as well as classical limit of the bosonic DMFT method, do not provide a satisfactory description of Ising and Heisenberg small lattices subjected to an external polarizing field. We show that a dramatic improvement can be achieved within a simple approach, in which the local field appears to be a fluctuating quantity related to the low-energy degree(s) of freedom.

Visceral larvae as a predictive index of the overall level of fish batch infection in European anchovies (Engraulis encrasicolus): A rapid procedure for Food Business Operators to assess marketability.

PubMed

Guardone, L; Nucera, D; Pergola, V; Costanzo, F; Costa, E; Tinacci, L; Guidi, A; Armani, A

2017-06-05

The European anchovy (Engraulis encrasicolus), one of the most important pelagic fish resources in the Mediterranean Sea, is frequently infected by anisakid larvae. Food Business Operators (FBOs) should use appropriate sampling plans and analytical methods to avoid commercialization of massively infected batches and reduce the risk of transmission of viable zoonotic larvae. In this study, performed at FishLab (Department of Veterinary Sciences of the University of Pisa) during 2016, an official sampling plan was associated with a digestion protocol for the inspection of anchovies. Considering that anisakid larvae are usually located in the fish visceral cavity and in the adjacent muscles (VM), this part was analyzed. In particular, we assessed the reliability of the digestion of a subsample of 150g (±30g) of VM, randomly collected from 29 specimens, in estimating the marketability of the anchovies' batch. Fifty-seven samples of 29 anchovies were collected. Each anchovy was sectioned to separate VM. All the subsamples were digested, and visible larvae counted. A high correlation between the number of larvae in VM regions and in the total batch was observed, indicating a very significant contribution of the VM region on total number of parasites. The Mean Abundance (MA) was used to assess the batch marketability according to a threshold calculated on the basis of the maximum number of nematodes tolerated per sample. Considering that the MA can be calculated only when the number of examined specimens is known, the number of visible Larvae per gram of tissue (LpG) was calculated on 150g (±30g) of VM subsamples. A LpG marketability threshold was calculated dividing the maximum number of tolerated nematodes by the average weight of a sample of 29 anchovies calculated considering data available in literature. To evaluate the diagnostic performance of the LpG threshold, the marketability of 57 batches assessed on the basis of the MA threshold was assumed as the gold standard. The proposed LpG showed very high Specificity and Sensitivity. These findings suggest that the analysis of VM is representative of the overall infestation of the batch, both when considering the absolute number of parasites and the LpG, and may represent a valid alternative to the whole anchovy digestion. In particular, the use of an automated digestive method, coupled with the aforesaid sampling plan, could allow the procedure to be used by FBOs in operational conditions. Copyright © 2017 Elsevier B.V. All rights reserved.

42 CFR 84.207 - Bench tests; gas and vapor tests; minimum requirements; general.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 64 3 50 50 Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine... 4 5 50 Sulfur dioxide As received SO2 500 64 3 5 30 Sulfur dioxide Equilibrated SO2 500 32 4 5 30 1... respiratory protection against more than one type of gas or vapor, as for use in ammonia and in chlorine, the...

42 CFR 84.207 - Bench tests; gas and vapor tests; minimum requirements; general.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 64 3 50 50 Ammonia Equilibrated NH3 1000 32 4 50 50 Chlorine As received Cl2 500 64 3 5 35 Chlorine... 4 5 50 Sulfur dioxide As received SO2 500 64 3 5 30 Sulfur dioxide Equilibrated SO2 500 32 4 5 30 1... respiratory protection against more than one type of gas or vapor, as for use in ammonia and in chlorine, the...

Isospin equilibration processes and dipolar signals: Coherent cluster production

NASA Astrophysics Data System (ADS)

Papa, M.; Berceanu, I.; Acosta, L.; Agodi, C.; Auditore, L.; Cardella, G.; Chatterjee, M. B.; Dell'Aquila, D.; De Filippo, E.; Francalanza, L.; Lanzalone, G.; Lombardo, I.; Maiolino, C.; Martorana, N.; Pagano, A.; Pagano, E. V.; Pirrone, S.; Politi, G.; Quattrocchi, L.; Rizzo, F.; Russotto, P.; Trifiró, A.; Trimarchi, M.; Verde, G.; Vigilante, M.

2017-11-01

The total dipolar signal related to multi-break-up processes induced on the system ^{48}Ca +{^{27}Al} at 40MeV/nucleon has been investigated with the CHIMERA multi-detector. Experimental data related to semi-peripheral collisions are shown and compared with CoMD-III calculations. The strong connection between the dipolar signal as obtained from the detected fragments and the dynamics of the isospin equilibration processes is also shortly discussed.

Entanglement tsunami: universal scaling in holographic thermalization.

PubMed

Liu, Hong; Suh, S Josephine

2014-01-10

We consider the time evolution of entanglement entropy after a global quench in a strongly coupled holographic system, whose subsequent equilibration is described in the gravity dual by the gravitational collapse of a thin shell of matter resulting in a black hole. In the limit of large regions of entanglement, the evolution of entanglement entropy is controlled by the geometry around and inside the event horizon of the black hole, resulting in regimes of pre-local-equilibration quadratic growth (in time), post-local-equilibration linear growth, a late-time regime in which the evolution does not carry memory of the size and shape of the entangled region, and a saturation regime with critical behavior resembling those in continuous phase transitions. Collectively, these regimes suggest a picture of entanglement growth in which an "entanglement tsunami" carries entanglement inward from the boundary. We also make a conjecture on the maximal rate of entanglement growth in relativistic systems.

Self-equilibrated Tapered Three-stage Tensegrity Mast

NASA Astrophysics Data System (ADS)

Oh, C. L.; Choong, K. K.; Nishimura, T.; Lee, S. W.

2018-04-01

Investigation of tensegrity structures for the space application is ongoing owing to the characteristics of being lightweight and flexible. Tensegrity structures consist of struts and cables are self-stressed and stable under gravitational loading. Form-finding is an important process to obtain the configuration of tensegrity structures that are in self-equilibrated state. Form-finding of tensegrity structures involves a complex computational strategy in solving the geometrical and forces of the structures. This paper aims to form-finding for a tapered three-stage tensegrity mast. The form-finding strategy involves the assemblage of the tensegrity mast, establishment of equilibrium equations and determination of one possible set of coefficient beta. Several cases of configurations with various twist angles with range of 20°-40° are investigated. A configuration with 9 struts and 42 cables satisfying the material elastic conditions was successfully found. The scalable self-equilibrated tensegrity mast is recommended for space applications.

Comparison of Mitochondrial Function in Boar and Bull Spermatozoa Throughout Cryopreservation Based on JC-1 Staining.

PubMed

Hu, C H; Zhuang, X J; Wei, Y M; Zhang, M; Lu, S S; Lu, Y Q; Yang, X G; Lu, K H

Poor reproductivity hampers the commercialization of cryopreserved boar semen. This study was to determine the differences in the sperm mitochondrial function between boar and bull semen at different cryopreservation stages. Boar and bull fresh, equilibrated, and frozen-thawed spermatozoa were evaluated for mitochondrial function using JC-1 under a fluorescent microscope. Bull and boar percentage of spermatozoa staining green (PSSG) showed no difference between fresh and equilibrated semen (P> 0.05). However, frozen-thawed bull and boar semen demonstrated significantly higher PSSG (P < 0.01) than fresh and equilibrated semen. Frozen-thawed boar semen represented a significantly higher PSSG (P < 0.01) than bull semen. Negative cryopreservation influence on boar and bull spermatozoa was not significantly produced by pre-freezing procedures, but rather by freezing and thawing. Cryopreservation has more pronounced negative effects on boar than on bull spermatozoa, which partly explains lagged commercialization of frozen boar semen.

Enhanced electron/fuel-ion equilibration through impurity ions: Studies applicable to NIF and Omega

NASA Astrophysics Data System (ADS)

Petrasso, R. D.; Sio, H.; Kabadi, N.; Lahmann, B.; Simpson, R.; Parker, C.; Frenje, J.; Gatu Johnson, M.; Li, C. K.; Seguin, F. H.; Rinderknecht, H.; Casey, D.; Grabowski, P.; Graziani, F.; Taitano, W.; Le, A.; Chacon, L.; Hoffman, N.; Kagan, G.; Simakov, A.; Zylstra, A.; Rosenberg, M.; Betti, R.; Srinivasan, B.; Mancini, R.

2017-10-01

In shock-driven exploding-pushers, a platform used extensively to study multi-species and kinetic effects, electrons and fuel ions are far out of equilibrium, as reflected by very different temperatures. However, impurity ions, even in small quantities, can couple effectively to the electrons, because of a Z2 dependence, and in turn, impurity ions can then strongly couple to the fuel ions. Through this mechanism, electrons and fuel-ions can equilibrate much faster than they otherwise would. This is a quantitative issue, depending upon the amount and Z of the impurity. For NIF and Omega, we consider the role of this process. Coupled non-linear equations, reflecting the temperatures of the three species, are solved for a range of conditions. Consideration is also given to ablatively driven implosions, since impurities can similarly affect the equilibration. This work was supported in part by DOE/NNSA DE-NA0002949 and DE-NA0002726.

Ortho-para-hydrogen equilibration on Jupiter

NASA Technical Reports Server (NTRS)

Carlson, Barbara E.; Lacis, Andrew A.; Rossow, William B.

1992-01-01

Voyager IRIS observations reveal that the Jovian para-hydrogen fraction is not in thermodynamic equilibrium near the NH3 cloud top, implying that a vertical gradient exists between the high-temperature equilibrium value of 0.25 at depth and the cloud top values. The height-dependent para-hydrogen profile is obtained using an anisotropic multiple-scattering radiative transfer model. A vertical correlation is found to exist between the location of the para-hydrogen gradient and the NH3 cloud, strongly suggesting that paramagnetic conversion on NH3 cloud particle surfaces is the dominant equilibration mechanism. Below the NH3 cloud layer, the para fraction is constant with depth and equal to the high-temperature equilibrium value of 0.25. The degree of cloud-top equilibration appears to depend on the optical depth of the NH3 cloud layer. Belt-zone variations in the para-hydrogen profile seem to be due to differences in the strength of the vertical mixing.

Generalized thermalization for integrable system under quantum quench.

PubMed

Muralidharan, Sushruth; Lochan, Kinjalk; Shankaranarayanan, S

2018-01-01

We investigate equilibration and generalized thermalization of the quantum Harmonic chain under local quantum quench. The quench action we consider is connecting two disjoint harmonic chains of different sizes and the system jumps between two integrable settings. We verify the validity of the generalized Gibbs ensemble description for this infinite-dimensional Hilbert space system and also identify equilibration between the subsystems as in classical systems. Using Bogoliubov transformations, we show that the eigenstates of the system prior to the quench evolve toward the Gibbs Generalized Ensemble description. Eigenstates that are more delocalized (in the sense of inverse participation ratio) prior to the quench, tend to equilibrate more rapidly. Further, through the phase space properties of a generalized Gibbs ensemble and the strength of stimulated emission, we identify the necessary criterion on the initial states for such relaxation at late times and also find out the states that would potentially not be described by the generalized Gibbs ensemble description.

Kibdelones: novel anticancer polyketides from a rare Australian actinomycete.

PubMed

Ratnayake, Ranjala; Lacey, Ernest; Tennant, Shaun; Gill, Jennifer H; Capon, Robert J

2007-01-01

The kibdelones are a novel family of bioactive heterocyclic polyketides produced by a rare soil actinomycete, Kibdelosporangium sp. (MST-108465). Complete relative stereostructures were assigned to kibdelones A-C (1-3), kibdelone B rhamnoside (5), 13-oxokibdelone A (7), and 25-methoxy-24-oxokibdelone C (8) on the basis of detailed spectroscopic analysis and chemical interconversion, as well as mechanistic and biosynthetic considerations. Under mild conditions, kibdelones B (2) and C (3) undergo a facile equilibration to kibdelones A-C (1-3), while kibdelone B rhamnoside (5) equilibrates to a mixture of kibdelone A-C rhamnosides (4-6). A plausible mechanism for this equilibration is proposed and involves air oxidation, quinone/hydroquinone redox transformations, and a choreographed sequence of keto/enol tautomerizations that aromatize ring C via a quinone methide intermediate. Kibdelones exhibit potent and selective cytotoxicity against a panel of human tumor cell lines and display significant antibacterial and nematocidal activity.

[Cryopreservation of mouse embryos in ethylene glycol-based solutions: a search for the optimal and simple protocols].

PubMed

Luo, Ming-Jiu; Liu, Na; Miao, De-Qiang; Lan, Guo-Cheng; Suo-Feng; Chang, Zhong-Le; Tan, Jing-He

2005-09-01

Although ethylene glycol (EG) has been widely used for embryo cryopreservation in domestic animals, few attempts were made to use this molecule to freeze mouse and human embryos. In the few studies that used EG for slow-freezing of mouse and human embryos, complicated protocols for human embryos were used, and the protocols need to be simplified. Besides, freezing mouse morula with EG as a cryoprotectant has not been reported. In this paper, we studied the effects of embryo stages, EG concentration, duration and procedure of equilibration, sucrose supplementation and EG removal after thawing on the development of thawed mouse embryos, using the simple freezing and thawing procedures for bovine embryos. The blastulation and hatching rates (81.92% +/- 2.24% and 68.56% +/- 2.43%, respectively) of the thawed late compact morulae were significantly (P < 0.05) higher than those of embryos frozen-thawed at other stages. When mouse late compact morulae were frozen with different concentrations of EG, the highest rates of blastocyst formation and hatching were obtained with 1.8mol/L EG. The blastulation rate was significantly higher when late morulae were equilibrated in 1.8 mol/L EG for 10 min prior to freezing than when they were equilibrated for 30 min, and the hatching rate of embryos exposed to EG for 10 min was significantly higher than that of embryos exposed for 20 and 30 min. Both rates of blastocyst formation and hatching obtained with two-step equilibration were higher (P < 0.05) than with one-step equilibration in 1.8 mol/L EG. Addition of sucrose to the EG-based solution had no beneficial effects. On the contrary, an increased sucrose level (0.4 mol/L) in the solution impaired the development of the frozen-thawed embryos. In contrast, addition of 0.1 mol/L sucrose to the propylene glycol (PG)-based solution significantly improved the development of the frozen-thawed embryos. Elimination of the cryoprotectant after thawing did not improve the development of the thawed embryos. The cell numbers were less (P < 0.05) in blastocysts developed from the thawed morulae than in the in vivo derived ones. In summary, embryo stage, EG concentration, duration and procedure of equilibration and sucrose supplementation had marked effects on development of the thawed mouse embryos, and a protocol for cryopreservation of mouse embryos is recommended in which the late morulae are frozen in 1.8 mol/L EG using the simple freezing and thawing procedures of bovine embryos after a two-step equilibration and the embryos can be cultured or transferred without EG removal after thawing.

Improved productivity of poly (3-hydroxybutyrate) (PHB) in thermophilic Chelatococcus daeguensis TAD1 using glycerol as the growth substrate in a fed-batch culture.

PubMed

Cui, Bin; Huang, Shaobin; Xu, Fuqian; Zhang, Ruijian; Zhang, Yongqing

2015-07-01

A particularly successful polyhydroxyalkanoate (PHA) in industrial applications is poly (3-hydroxybutyrate) (PHB). However, one of the major obstacles for wider application of PHB is the cost of its production and purification. Therefore, it is desirable to discover a method for producing PHB in large quantities at a competitive price. Glycerol is a cheap and widely used carbon source that can be applied in PHB production process. There are numerous advantages to operating fermentation at elevated temperatures; only several thermophilic bacteria are able to accumulate PHB when glycerol is the growth substrate. Here, we report on the possibility of increasing PHB production at low cost using thermophilic Chelatococcus daeguensis TAD1 when glycerol is the growth substrate in a fed-batch culture. We found that (1) excess glycerol inhibited PHB accumulation and (2) organic nitrogen sources, such as tryptone and yeast extract, promoted the growth of C. daeguensis TAD1. In the batch fermentation experiments, we found that using glycerol at low concentrations as the sole carbon source, along with the addition of mixed nitrate (NH4Cl, tryptone, and yeast extract), stimulated PHB accumulation in C. daeguensis TAD1. The results showed that the PHB productivity decreased in the following order: two-stage fed-batch fermentation > fed-batch fermentation > batch fermentation. In optimized culture conditions, a PHB amount of 17.4 g l(-1) was obtained using a two-stage feeding regimen, leading to a productivity rate of 0.434 g l(-1) h(-1), which is the highest productivity rate reported for PHB to date. This high PHB biosynthetic productivity could decrease the total production cost, allowing for further development of industrial applications of PHB.

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

Escarcia, F; Herrera, J; Garcia, O

Purpose: To investigate the uniformity of film response of EBT3 film of two different film batches. It has been reported that the response of the EBT film family is not homogenous between film batches. The later may have an impact in the dosimetry of small radiotherapy beams. Methods: A solid water phantom was used for dosimetric measurements. EBT3 film irradiation was performed with a 6 MV photon beam at 5 cm depth with a SAD of 100 cm. All irradiations were performed perpendicularly to the film plane covering the dose range 1 to 10 Gy. Three square field sizes weremore » used to analyze the film response energy dependence: 10, 5 and 1 cm{sup 2}. Two batches of film EBT3 were used #A03181302 (B1) and #03031403 (B2). Film read out was carrying out with an Epson Perfection V750-Pro flatbed scanner in transmission mode with a spatial resolution of 72 dpi, with all post-processing and colour management options turned off, using 48 bits RGB colour depth. The scans were analyzed with the red channel. Results: The results shown that there were differences between the film response for each batch. The differences between batches for 1 Gy were 2%, 6% and 12% for 10, 5 and 1 cm2 square field sizes, respectively. The differences found for 10 Gy were 13%, 14% and 13% for 10, 5 and 1 cm{sup 2} square field sizes, respectively. It can be observed that the dependence with field size dismissed for higher doses. The later may be due to film response saturation at 10 Gy. Conclusion: The EBT3 film -as its predecessors-, it suffer for inter-batch variability in the film response. Further research is required to assess the possible impact in small beam dosimetry.« less

Improved cost-effectiveness of the block co-polymer anneal process for DSA

NASA Astrophysics Data System (ADS)

Pathangi, Hari; Stokhof, Maarten; Knaepen, Werner; Vaid, Varun; Mallik, Arindam; Chan, Boon Teik; Vandenbroeck, Nadia; Maes, Jan Willem; Gronheid, Roel

2016-04-01

This manuscript first presents a cost model to compare the cost of ownership of DSA and SAQP for a typical front end of line (FEoL) line patterning exercise. Then, we proceed to a feasibility study of using a vertical furnace to batch anneal the block co-polymer for DSA applications. We show that the defect performance of such a batch anneal process is comparable to the process of record anneal methods. This helps in increasing the cost benefit for DSA compared to the conventional multiple patterning approaches.

Effect of Batch-to-Batch Variability on the Phase Transition of Precipitated Erbium-Doped Alumina Particles

DTIC Science & Technology

2017-11-01

Furthermore, Er-doped lasers emit in the spectral range of “ eye -safe” laser radiation, as they do not penetrate the eye and cause permanent retina damage.7...challenge. Previous studies on doped alumina ceramics used a dry mechanical method for doping ions,4,14 which led to the formation of dopant-rich...synthesis. Finally, the particles were dispersed in isopropanol to aid in drying , and filtered before being placed in an oven at 70 °C. Once dried, the

Hadron spectroscopy with dynamical chirally improved fermions

NASA Astrophysics Data System (ADS)

Gattringer, Christof; Hagen, Christian; Lang, C. B.; Limmer, Markus; Mohler, Daniel; Schäfer, Andreas

2009-03-01

We simulate two dynamical, mass-degenerate light quarks on 163×32 lattices with a spatial extent of 2.4 fm using the chirally improved Dirac operator. The simulation method, the implementation of the action, and signals of equilibration are discussed in detail. Based on the eigenvalues of the Dirac operator we discuss some qualitative features of our approach. Results for ground-state masses of pseudoscalar and vector mesons as well as for the nucleon and delta baryons are presented.

Time-Separating Heating and Sensor Functions of Thermistors in Precision Thermal Control Applications

NASA Technical Reports Server (NTRS)

Cho, Hyung J.; Sukhatme, Kalyani G.; Mahoney, John C.; Penanen, Konstantin Penanen; Vargas, Rudolph, Jr.

2010-01-01

A method allows combining the functions of a heater and a thermometer in a single device, a thermistor, with minimal temperature read errors. Because thermistors typically have a much smaller thermal mass than the objects they monitor, the thermal time to equilibrate the thermometer to the temperature of the object is typically much shorter than the thermal time of the object to change its temperature in response to an external perturbation.

Choice of 17O Abundance Correction Affects Δ47 and Thus Calibrations for Paleothermometry

NASA Astrophysics Data System (ADS)

Kelson, J.; Schauer, A. J.; Huntington, K. W.; Saenger, C.; Lechler, A. R.

2016-12-01

The clumped isotope composition of CO2 derived from carbonate (Δ47) varies with temperature, making it a valuable geothermometer with broad applications. However, its accuracy is limited by inter-laboratory discrepancies of carbonate reference materials and disagreement among Δ47-temperature calibrations. Here we use a suite of CO2-H2O equilibrations at known temperatures with a wide range in 13C and 18O compositions to show how the correction for the abundance of 17O impacts Δ47 and potentially explains these discrepancies. When a traditional value of 0.5164 is used for the fractionation between 17O and 18O (λ), corrected Δ47 in 23 °C CO2-H2O equilibrations exhibits a dependence on 13C composition that is equivalent to 20 ºC (Δ47 range of 0.06 ‰). In contrast, these discrepancies are effectively removed when λ=0.528, as in global meteoric waters. Furthermore, carbonate standards with identical formation temperatures have significantly different Δ47 when corrected using λ=0.5164, but agree within error when λ=0.528. The choice of λ affects the accuracy of all sample Δ47 values, unless the sample CO2, mass spectrometer reference gas, and equilibrated gases share the same 13C composition. The sensitivity of Δ47 to the choice of λ, and the apparent dependence on 13C when 0.5164 is used, are relevant to the abiogenic experiments used in Δ47-temperature calibrations given that precipitation methods involving CO2 bubbling produce carbonates depleted in 13C by tens of permil relative to methods that mix salts. We evaluate the influence of 17O correction on Δ47-temperature calibrations using a suite of 58 abiogenic carbonates precipitated at 4-85 ºC using CO2 bubbling and the mixing of salts. Aliquots of precipitated carbonates were digested at 25 and 90ºC, but all other preparatory and analytical variables were held constant. When corrected using λ=0.5164, various precipitation methods yield sub-parallel Δ47-temperature relationships with slopes of 0.034-0.044 (x 106/T2), but offset intercepts. Conversely, Δ47-temperature relationships overlap within error when λ=0.528. This suggests that the method used to correct for 17O abundance likely contributes to observed calibration discrepancies and that adopting λ=0.528 may reduce the uncertainty in Δ47 temperature reconstructions.

A simple approach for assessing equilibrated Kt/V beta 2-M on a routine basis.

PubMed

Casino, Francesco G; Pedrini, Luciano A; Santoro, Antonio; Mandolfo, Salvatore; David, Salvatore; De Cristofaro, Vincenzo; Teatini, Ugo; Lomonte, Carlo; Lopez, Teodoro

2010-09-01

Large observational studies have shown a reduction in morbidity and mortality in patients on high-flux haemodialysis (HD) or convective techniques, compared with low-flux HD. An index to evaluate treatment efficiency in middle molecule (MM) removal would be recommended. Since beta-2-microglobulin (beta2-M) is a recognized MM marker, we evaluated an easy approach for Kt/V(beta2-M) assessment on a routine basis, avoiding other complex methods. An equation that estimates single-pool (sp) Kt/V(beta2-M) was derived from Leypoldt's formula, which calculates beta2-M dialyser clearance (K(beta2-M)) from the post/pre-dialysis beta2-M concentration (C(t)/C(0)) ratio and the weight loss/end-dialysis weight (Delta W/W) ratio. Our equation, spKt/V(beta2-M) = 6.12 Delta W/W [1 - ln(C(t)/C(0))/ln(1 + 6.12 Delta W/W)], was derived by assuming urea distribution volume (V(u)) as 49% of W and beta2-M volume (V(beta2-M)) as V(u)/3, in agreement with the average patient values in the HEMO Study. The spKt/V(beta2-M) values calculated with our equation (F) in 129 patients on 407 sessions of different high-flux treatments were compared with those calculated with the method applied in the HEMO Study (HM). Equilibrated beta2-M concentration (C(eq)) of the same sessions was also estimated with the equation for C(eq) by Tattersall, and equilibrated Kt/V (eKt/V(beta2-M)) was calculated by introducing Tattersall's equation into our simplified spKt/V(beta2-M) formula. Mean results of our spKt/V(beta2-M) equation (F) were very close to those of the HM method (1.48 +/- 0.38 vs 1.47 +/- 0.37). The difference was less than +/-0.1 in 95% of cases. A mean end-session beta2-M rebound of 44 +/- 14% was predicted, which caused a mean reduction in actual Kt/V(beta2-M) of ~27% (eKt/V(beta2-M) = 1.08 +/- 0.26). The method proposed to estimate spKt/V(beta2-M) and eKt/V(beta2-M) could become a simple tool to monitor the efficiency of high-flux HD and convective techniques and to evaluate the adequacy of treatments in terms of MM removal. Moreover, it might help to better understand the effects of different dialysis schedules. Validation on a larger dialysis population is required.

Simultaneous determination of dissolved gases and moisture in mineral insulating oils by static headspace gas chromatography with helium photoionization pulsed discharge detection.

PubMed

Jalbert, J; Gilbert, R; Tétreault, P

2001-07-15

This paper presents the development of a static headspace capillary gas chromatographic method (HS-GC) for simultaneously determining dissolved gases (H2, O2, N2, CO, CO2, CH4, C2H6, C2H4, C2H2, C3H8) and moisture from a unique 15-mL mineral oil sample. A headspace sampler device is used to equilibrate the sample species in a two-phase system under controlled temperature and agitation conditions. A portion of the equilibrated species is then automatically split-injected into two chromatographic channels mounted on the same GC for their separation. The hydrocarbons and the lighter gases are separated on the first channel by a GS-Q column coupled with a MolSieve 5-A column via a bypass valve, while the moisture is separated on the second channel using a Stabilwax column. The analytes are detected by using two universal pulsed-discharge helium ionization detectors (PDHID). The performance of the method was established using equilibrated vials containing known amounts of gas mixture, water, and blank oil. The signal is linear over the concentration ranges normally found for samples collected from open-breathing power transformers. Determination sensitivity varies with the nature of the species considered with values as high as 21 500 A x 10(-9) s (microg/ g)(-1) for H2O, 46-216 A x 10(-9) s (microL/L)(-1) for the hydrocarbons and carbon oxides, and as low as 8-21 A x 10(-9) s (microL/L)(-1) for the O2 and N2 permanent gases. The detection limit of the method is between 0.08 and 6 microL/L for the dissolved gases, except for O2, N2, and CO2, where higher values are observed due to air intrusion during sampler operations, and 0.1 microg/g for the dissolved water. Ten consecutive measurements in the low and high levels of the calibration curves have shown a precision better than 12% and 6%, respectively, in all cases. A comparison study between the HS-GC method and the ASTM standard procedures on 31 field samples showed a very good agreement of the results. The advantages of configuring the arrangement with two PDHID over the conventional flame ionization and thermal conductivity detectors were clearly demonstrated.

Extraction of organic contaminants from marine sediments and tissues using microwave energy.

PubMed

Jayaraman, S; Pruell, R J; McKinney, R

2001-07-01

In this study, we compared microwave solvent extraction (MSE) to conventional methods for extracting organic contaminants from marine sediments and tissues with high and varying moisture content. The organic contaminants measured were polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, and polycyclic aromatic hydrocarbons (PAHs). Initial experiments were conducted on dry standard reference materials (SRMs) and field collected marine sediments. Moisture content in samples greatly influenced the recovery of the analytes of interest. When wet sediments were included in a sample batch, low recoveries were often encountered in other samples in the batch, including the dry SRM. Experiments were conducted to test the effect of standardizing the moisture content in all samples in a batch prior to extraction. SRM1941a (marine sediment). SRM1974a (mussel tissue), as well as QA96SED6 (marine sediment), and QA96TIS7 (marine tissue), both from 1996 NIST Intercalibration Exercise were extracted using microwave and conventional methods. Moisture levels were adjusted in SRMs to match those of marine sediment and tissue samples before microwave extraction. The results demonstrated that it is crucial to standardize the moisture content in all samples, including dry reference material to ensure good recovery of organic contaminants. MSE yielded equivalent or superior recoveries compared to conventional methods for the majority of the compounds evaluated. The advantages of MSE over conventional methods are reduced solvent usage, higher sample throughput and the elimination of halogenated solvent usage.

Pad ultrasonic batch dyeing of causticized lyocell fabric with reactive dyes.

PubMed

Babar, Aijaz Ahmed; Peerzada, Mazhar Hussain; Jhatial, Abdul Khalique; Bughio, Noor-Ul-Ain

2017-01-01

Conventionally, cellulosic fabric dyed with reactive dyes requires significant amount of salt. However, the dyeing of a solvent spun regenerated cellulosic fiber is a critical process. This paper presents the dyeing results of lyocell fabrics dyed with conventional pad batch (CPB) and pad ultrasonic batch (PUB) processes. The dyeing of lyocell fabrics was carried out with two commercial dyes namely Drimarine Blue CL-BR and Ramazol Blue RGB. Dyeing parameters including concentration of sodium hydroxide, sodium carbonate and dwell time were compared for the two processes. The outcomes show that PUB dyed samples offered reasonably higher color yield and dye fixation than CPB dyed samples. A remarkable reduction of 12h in batching time, 18ml/l in NaOH and 05g/l in Na 2 CO 3 quantity was observed for PUB processed samples producing similar results compared to CPB process, making PUB a more economical, productive and an environment friendly process. Color fastness examination witnessed identical results for both PUB and CPB methods. No significant change in surface morphology of PUB processed samples was observed through scanning electron microscope (SEM) analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

Ethanol production from glycerol using immobilized Pachysolen tannophilus during microaerated repeated-batch fermentor culture.

PubMed

Cha, Hye-Geun; Kim, Yi-Ok; Choi, Woon Yong; Kang, Do-Hyung; Lee, Hyeon-Yong; Jung, Kyung-Hwan

2015-03-01

Herein, we established a repeated-batch process for ethanol production from glycerol by immobilized Pachysolen tannophilus. The aim of this study was to develop a more practical and applicable ethanol production process for biofuel. In particular, using industrial-grade medium ingredients, the microaeration rate was optimized for maximization of the ethanol production, and the relevant metabolic parameters were then analyzed. The microaeration rate of 0.11 vvm, which is far lower than those occurring in a shaking flask culture, was found to be the optimal value for ethanol production from glycerol. In addition, it was found that, among those tested, Celite was a more appropriate carrier for the immobilization of P. tannophilus to induce production of ethanol from glycerol. Finally, through a repeated-batch culture, the ethanol yield (Ye/g) of 0.126 ± 0.017 g-ethanol/g-glycerol (n = 4) was obtained, and this value was remarkably comparable with a previous report. In the future, it is expected that the results of this study will be applied for the development of a more practical and profitable long-term ethanol production process, thanks to the industrial-grade medium preparation, simple immobilization method, and easy repeated-batch operation.