Bridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residue

KAUST Repository

Da, Lin-Tai

2016-04-19

The dynamics of the RNA polymerase II (Pol II) backtracking process is poorly understood. We built a Markov State Model from extensive molecular dynamics simulations to identify metastable intermediate states and the dynamics of backtracking at atomistic detail. Our results reveal that Pol II backtracking occurs in a stepwise mode where two intermediate states are involved. We find that the continuous bending motion of the Bridge helix (BH) serves as a critical checkpoint, using the highly conserved BH residue T831 as a sensing probe for the 3′-terminal base paring of RNA:DNA hybrid. If the base pair is mismatched, BH bending can promote the RNA 3′-end nucleotide into a frayed state that further leads to the backtracked state. These computational observations are validated by site-directed mutagenesis and transcript cleavage assays, and provide insights into the key factors that regulate the preferences of the backward translocation.

Air-water tests in support of LLTR series II Test A-4

International Nuclear Information System (INIS)

Chen, K.

1980-07-01

A series of tests injecting air into a tank of stagnant water was conducted in June 1980 utilizing the GE Plenum Mixing Test Facility in San Jose, California. The test was concerned with investigating the behavior of air jets at a submerged orifice in water over a wide range of flow rates. The main objective was to improve the basic understanding of gas-liquid phenomena (e.g., leak dynamics, gas bubble agglomeration, etc.) in a simulated tube bundle through visualization. The experimental results from these air-water tests will be used as a guide to help select the leak size for LLTR Series II Test A-4 because air-water system is a good simulation of water-sodium mixture

Location of 3-hydroxyproline residues in collagen types I, II, III, and V/XI implies a role in fibril supramolecular assembly.

Science.gov (United States)

Weis, Mary Ann; Hudson, David M; Kim, Lammy; Scott, Melissa; Wu, Jiann-Jiu; Eyre, David R

2010-01-22

Collagen triple helices are stabilized by 4-hydroxyproline residues. No function is known for the much less common 3-hydroxyproline (3Hyp), although genetic defects inhibiting its formation cause recessive osteogenesis imperfecta. To help understand the pathogenesis, we used mass spectrometry to identify the sites and local sequence motifs of 3Hyp residues in fibril-forming collagens from normal human and bovine tissues. The results confirm a single, essentially fully occupied 3Hyp site (A1) at Pro(986) in A-clade chains alpha1(I), alpha1(II), and alpha2(V). Two partially modified sites (A2 and A3) were found at Pro(944) in alpha1(II) and alpha2(V) and Pro(707) in alpha2(I) and alpha2(V), which differed from A1 in sequence motif. Significantly, the distance between sites 2 and 3, 237 residues, is close to the collagen D-period (234 residues). A search for additional D-periodic 3Hyp sites revealed a fourth site (A4) at Pro(470) in alpha2(V), 237 residues N-terminal to site 3. In contrast, human and bovine type III collagen contained no 3Hyp at any site, despite a candidate proline residue and recognizable A1 sequence motif. A conserved histidine in mammalian alpha1(III) at A1 may have prevented 3-hydroxylation because this site in chicken type III was fully hydroxylated, and tyrosine replaced histidine. All three B-clade type V/XI collagen chains revealed the same three sites of 3Hyp but at different loci and sequence contexts from those in A-clade collagen chains. Two of these B-clade sites were spaced apart by 231 residues. From these and other observations we propose a fundamental role for 3Hyp residues in the ordered self-assembly of collagen supramolecular structures.

Evaluation of LLTR Series II tests A-1A and A-1B test results

International Nuclear Information System (INIS)

Shoopak, B.F.; Amos, J.C.; Norvell, T.J.

1980-03-01

The standard methodology, with minor modifications provides conservative yet realistic predictions of leaksite and other sodium system pressures in the LLTR Series II vessel and piping. The good agreement between predicted and measured pressures indicates that the TRANSWRAP/RELAP modeling developed from the Series I tests is applicable to larger scale units prototypical of the Clinch River steam generator design. Calculated sodium system pressures are sensitive to several modeling parameters including rupture disc modeling, acoustic velocity in the test vessel, and flow rate from the rupture tube. The acoustic velocity which produced best agreement with leaksite pressures was calculated based on the shroud diameter and shroud wall thickness. The corresponding rupture tube discharge coefficient was that of the standard design methodology developed from Series I testing. As found in Series I testing, the Series II data suggests that the leading edge of the flow in the relief line is two phase for a single, doubled-ended guillotine tube rupture. The steam generator shroud acts as if it is relatively transparent to the transmission of radial pressures to the vessel wall. Slightly lower sodium system maximum pressures measured during Test A-1b compared to Test A-1a are attributed to premature failure (failure at a lower pressure) of the rupture disc in contact with the sodium for test A-1b. The delay in failure of the second disc in Test A-1b, which was successfully modeled with TRANSWRAP, is attributed to the limited energy in the nitrogen injection

`Indoor` series vending machines; `Indoor` series jido hanbaiki

Energy Technology Data Exchange (ETDEWEB)

Gensui, T.; Kida, A. [Fuji Electric Co. Ltd., Tokyo (Japan); Okumura, H. [Fuji Denki Reiki Co. Ltd., Tokyo (Japan)

1996-07-10

This paper introduces three series of vending machines that were designed to match the interior of an office building. The three series are vending machines for cups, paper packs, cans, and tobacco. Among the three series, `Interior` series has a symmetric design that was coated in a grain pattern. The inside of the `Interior` series is coated by laser satin to ensure a sense of superior quality and a refined style. The push-button used for product selection is hot-stamped on the plastic surface to ensure the hair-line luster. `Interior Phase II` series has a bay window design with a sense of superior quality and lightness. The inside of the `Interior Phase II` series is coated by laser satin. `Interior 21` series is integrated with the wall except the sales operation panel. The upper and lower dress panels can be detached and attached. The door lock is a wire-type structure with high operativity. The operation block is coated by titanium color. The dimensions of three series are standardized. 6 figs., 1 tab.

Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell.

Science.gov (United States)

Ding, Dahu; Lei, Zhongfang; Yang, Yingnan; Feng, Chuanping; Zhang, Zhenya

2014-04-15

A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni(II)HCF(III)-WS) was developed to selectively remove cesium ion (Cs(+)) from aqueous solutions. This paper showed the first integral study on Cs(+) removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2h. As a special characteristic of Ni(II)HCF(III)-WS, acidic condition was preferred for Cs(+) removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni(II)HCF(III)-WS could selectively remove Cs(+) though the coexisting ions (Na(+) and K(+) in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni(II)HCF(III)-WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni(II)HCF(III)-WS) was reduced after incineration (at 500°C for 2h). Due to its relatively high distribution coefficient and significant volume reduction, Ni(II)HCF(III)-WS is expected to be a promising material for Cs(+) removal in practice. Copyright © 2014 Elsevier B.V. All rights reserved.

Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8

Science.gov (United States)

2016-01-01

Using Sorafenib as a starting point, a series of potent and selective inhibitors of CDK8 was developed. When cocrystallized with CDK8 and cyclin C, these compounds exhibit a Type-II (DMG-out) binding mode. PMID:27326333

Phase II, Title I engineering assessment of radioactive sands and residues, Lowman Site, Lowman Idaho

Energy Technology Data Exchange (ETDEWEB)

1977-12-01

An engineering assessment was performed of the problems resulting from the existence of radioactive uranium sand residues at the Lowman, Idaho, site. Services normally include the preparation of topographic maps, the performance of core drillings and radiometric measurements sufficient to determine areas and volumes of tailings and other radium-contaminated materials, the evaluation of resulting investigations of site hydrology and meteorology, and the evaluation and costing of alternative corrective actions. Radon gas release from the 90,000 tons of sand residues at the Lowman site constitutes the most significant environmental impact, although external gamma radiation is also a factor. The two alternative actions presented are dike construction, fencing, and maintenance (Option I); and consolidation of the piles, addition of a 2-ft-thick stabilization cover, and on-site cleanup (Option II). Both options include remedial action at off-site structures. Cost estimates for the two options are $393,000 and $590,000.

Phase II, Title I engineering assessment of radioactive sands and residues, Lowman Site, Lowman Idaho

International Nuclear Information System (INIS)

1977-12-01

An engineering assessment was performed of the problems resulting from the existence of radioactive uranium sand residues at the Lowman, Idaho, site. Services normally include the preparation of topographic maps, the performance of core drillings and radiometric measurements sufficient to determine areas and volumes of tailings and other radium-contaminated materials, the evaluation of resulting investigations of site hydrology and meteorology, and the evaluation and costing of alternative corrective actions. Radon gas release from the 90,000 tons of sand residues at the Lowman site constitutes the most significant environmental impact, although external gamma radiation is also a factor. The two alternative actions presented are dike construction, fencing, and maintenance (Option I); and consolidation of the piles, addition of a 2-ft-thick stabilization cover, and on-site cleanup (Option II). Both options include remedial action at off-site structures. Cost estimates for the two options are $393,000 and $590,000

Potential of Ranunculus acris L. for biomonitoring trace element contamination of riverbank soils: photosystem II activity and phenotypic responses for two soil series.

Science.gov (United States)

Marchand, Lilian; Lamy, Pierre; Bert, Valerie; Quintela-Sabaris, Celestino; Mench, Michel

2016-02-01

Foliar ionome, photosystem II activity, and leaf growth parameters of Ranunculus acris L., a potential biomonitor of trace element (TE) contamination and phytoavailability, were assessed using two riverbank soil series. R. acris was cultivated on two potted soil series obtained by mixing a TE (Cd, Cu, Pb, and Zn)-contaminated technosol with either an uncontaminated sandy riverbank soil (A) or a silty clay one slightly contaminated by TE (B). Trace elements concentrations in the soil-pore water and the leaves, leaf dry weight (DW) yield, total leaf area (TLA), specific leaf area (SLA), and photosystem II activity were measured for both soil series after a 50-day growth period. As soil contamination increased, changes in soluble TE concentrations depended on soil texture. Increase in total soil TE did not affect the leaf DW yield, the TLA, the SLA, and the photosystem II activity of R. acris over the 50-day exposure. The foliar ionome did not reflect the total and soluble TE concentrations in both soil series. Foliar ionome of R. acris was only effective to biomonitor total and soluble soil Na concentrations in both soil series and total and soluble soil Mo concentrations in the soil series B.

Use of red mud (bauxite residue) for the retention of aqueous inorganic mercury(II).

Science.gov (United States)

Rubinos, David A; Barral, María Teresa

2015-11-01

The effectiveness of the oxide-rich residue from bauxite refining (red mud) to remove inorganic Hg(II) from aqueous solutions was assessed. The aspects studied comprised the kinetics of the process (t = 1 min-24 h), the effect of pH (3.5-11.5), the interacting effect between salt concentration (0.01-1 M NaNO3) and pH and the Hg(II) sorption isotherm. Hg leaching from spent red mud was evaluated using the toxicity characteristics leaching procedure (TCLP) method. The sorption of Hg(II) onto red mud was very fast, with most of Hg(II) (97.0-99.7%) being removed from 0.5-50 μM Hg solutions in few minutes. The kinetic process was best described by Ho's pseudo-second order equation, pointing to chemisorption as the rate controlling step. Hg(II) sorption efficiency was very high (% removal between 93.9 and 99.8%) within all the studied pH range (3.5-11.5) and added Hg concentrations (5 and 50 μM), being optimal at pH 5-8 and decreasing slightly at both lowest and highest pH. The effect of background electrolyte concentration suggests specific sorption as the main interaction mechanism between Hg(II) and red mud, but the increasing non-sorbed Hg concentrations at low and high pH for higher electrolyte concentrations also revealed the contribution of an electrostatic component to the process. The sorption isotherm showed the characteristic shape of high affinity sorbents, and it was better described by the Redlich-Peterson and Freundlich equations, which are models that assume sorbent heterogeneity and involvement of more than one mechanism. The estimated Hg(II) sorption capacity from the Langmuir equation (q m ~9 mmol/kg) was comparable to those of some inorganic commercial sorbents but lower than most bio- or specifically designed sorbents. The leachability of retained Hg(II) from spent red mud (0.02, 0.25 and 2.42 mmol Hg/kg sorbed concentration) was low (0.28, 1.15 and 2.23 μmol/kg, respectively) and accounted for 1.2, 0.5 and 0.1% of previously sorbed Hg

Correlation of reactivity with structural factors in a series of Fe(II) substituted cobalt ferrites

International Nuclear Information System (INIS)

Sileo, Elsa E.; Garcia Rodenas, Luis; Paiva-Santos, Carlos O.; Stephens, Peter W.; Morando, Pedro J.; Blesa, Miguel A.

2006-01-01

A series of powdered cobalt ferrites, Co x Fe 3- x O 4 with 0.66≤x II , were synthesized by a mild procedure, and their Fe and Co site occupancies and structural characteristics were explored using X-ray anomalous scattering and the Rietveld refinement method. The dissolution kinetics, measured in 0.1 M oxalic acid aqueous solution at 70 deg. C, indicate in all cases the operation of a contracting volume rate law. The specific rates increased with the Fe II content following approximately a second-order polynomial expression. This result suggests that the transfer of Fe III controls the dissolution rate, and that the leaching of a first layer of ions Co II and Fe II leaves exposed a surface enriched in slower dissolving octahedral Fe III ions. Within this model, inner vicinal lattice Fe II accelerates the rate of Fe III transfer via internal electron hopping. A chain mechanism, involving successive electron transfers, fits the data very well. - Graphical abstract: The electron exchange between octahedral Fe II and Fe III ions has important consequences on the specific dissolution rates. Display Omitted

Consistent two-dimensional visualization of protein-ligand complex series

Directory of Open Access Journals (Sweden)

Stierand Katrin

2011-06-01

Full Text Available Abstract Background The comparative two-dimensional graphical representation of protein-ligand complex series featuring different ligands bound to the same active site offers a quick insight in their binding mode differences. In comparison to arbitrary orientations of the residue molecules in the individual complex depictions a consistent placement improves the legibility and comparability within the series. The automatic generation of such consistent layouts offers the possibility to apply it to large data sets originating from computer-aided drug design methods. Results We developed a new approach, which automatically generates a consistent layout of interacting residues for a given series of complexes. Based on the structural three-dimensional input information, a global two-dimensional layout for all residues of the complex ensemble is computed. The algorithm incorporates the three-dimensional adjacencies of the active site residues in order to find an universally valid circular arrangement of the residues around the ligand. Subsequent to a two-dimensional ligand superimposition step, a global placement for each residue is derived from the set of already placed ligands. The method generates high-quality layouts, showing mostly overlap-free solutions with molecules which are displayed as structure diagrams providing interaction information in atomic detail. Application examples document an improved legibility compared to series of diagrams whose layouts are calculated independently from each other. Conclusions The presented method extends the field of complex series visualizations. A series of molecules binding to the same protein active site is drawn in a graphically consistent way. Compared to existing approaches these drawings substantially simplify the visual analysis of large compound series.

A perturbative approach for enhancing the performance of time series forecasting.

Science.gov (United States)

de Mattos Neto, Paulo S G; Ferreira, Tiago A E; Lima, Aranildo R; Vasconcelos, Germano C; Cavalcanti, George D C

2017-04-01

This paper proposes a method to perform time series prediction based on perturbation theory. The approach is based on continuously adjusting an initial forecasting model to asymptotically approximate a desired time series model. First, a predictive model generates an initial forecasting for a time series. Second, a residual time series is calculated as the difference between the original time series and the initial forecasting. If that residual series is not white noise, then it can be used to improve the accuracy of the initial model and a new predictive model is adjusted using residual series. The whole process is repeated until convergence or the residual series becomes white noise. The output of the method is then given by summing up the outputs of all trained predictive models in a perturbative sense. To test the method, an experimental investigation was conducted on six real world time series. A comparison was made with six other methods experimented and ten other results found in the literature. Results show that not only the performance of the initial model is significantly improved but also the proposed method outperforms the other results previously published. Copyright © 2017 Elsevier Ltd. All rights reserved.

ENRAF Series 854 Advanced Technology Gauge (ATG) with SPU II card for Leak Detector Use Acceptance Test Procedure

International Nuclear Information System (INIS)

SMITH, S.G.

1999-01-01

The following Acceptance Test Procedure was written to test the ENRAF series 854 ATG with SPU II card prior to installation in the Tank Farms. The procedure sets various parameters and verifies the gauge and alarms functionality

Oxidized amino acid residues in the vicinity of Q(A and Pheo(D1 of the photosystem II reaction center: putative generation sites of reducing-side reactive oxygen species.

Directory of Open Access Journals (Sweden)

Laurie K Frankel

Full Text Available Under a variety of stress conditions, Photosystem II produces reactive oxygen species on both the reducing and oxidizing sides of the photosystem. A number of different sites including the Mn4O5Ca cluster, P680, PheoD1, QA, QB and cytochrome b559 have been hypothesized to produce reactive oxygen species in the photosystem. In this communication using Fourier-transform ion cyclotron resonance mass spectrometry we have identified several residues on the D1 and D2 proteins from spinach which are oxidatively modified and in close proximity to QA (D1 residues (239F, (241Q, (242E and the D2 residues (238P, (239T, (242E and (247M and PheoD1 (D1 residues (130E, (133L and (135F. These residues may be associated with reactive oxygen species exit pathways located on the reducing side of the photosystem, and their modification may indicate that both QA and PheoD1 are sources of reactive oxygen species on the reducing side of Photosystem II.

Series-produced Helium II Cryostats for the LHC Magnets Technical Choices, Industrialisation, Costs

CERN Document Server

Poncet, A

2008-01-01

Assembled in 8 continuous segments of approximately 2.7 km length each, the He II cryostats for the 1232 cryodipoles and 474 Short Straight Sections (SSS housing the quadrupoles) must fulfil tight technical requirements. They have been produced by industry in large series according to cost-effective industrial production methods to keep expenditure within the financial constraints of the project and assembled under contract at CERN. The specific technical requirements of the generic systems of the cryostat (vacuum, cryogenic, electrical distribution, magnet alignment) are briefly recalled, as well as the basic design choices leading to the definition of their components (vacuum vessels, thermal shielding, supporting systems). Early in the design process emphasis was placed on the feasibility of manufacturing techniques adequate for large series production of components, optimal tooling for time-effective assembly methods, and reliable quality assurance systems. An analytical review of the costs of the cryosta...

Identification of homemade inorganic explosives by ion chromatographic analysis of post-blast residues.

Science.gov (United States)

Johns, Cameron; Shellie, Robert A; Potter, Oscar G; O'Reilly, John W; Hutchinson, Joseph P; Guijt, Rosanne M; Breadmore, Michael C; Hilder, Emily F; Dicinoski, Greg W; Haddad, Paul R

2008-02-29

Anions and cations of interest for the post-blast identification of homemade inorganic explosives were separated and detected by ion chromatographic (IC) methods. The ionic analytes used for identification of explosives in this study comprised 18 anions (acetate, benzoate, bromate, carbonate, chlorate, chloride, chlorite, chromate, cyanate, fluoride, formate, nitrate, nitrite, perchlorate, phosphate, sulfate, thiocyanate and thiosulfate) and 12 cations (ammonium, barium(II), calcium(II), chromium(III), ethylammonium, magnesium(II), manganese(II), methylammonium, potassium(I), sodium(I), strontium(II), and zinc(II)). Two IC separations are presented, using suppressed IC on a Dionex AS20 column with potassium hydroxide as eluent for anions, and non-suppressed IC for cations using a Dionex SCS 1 column with oxalic acid/acetonitrile as eluent. Conductivity detection was used in both cases. Detection limits for anions were in the range 2-27.4ppb, and for cations were in the range 13-115ppb. These methods allowed the explosive residue ions to be identified and separated from background ions likely to be present in the environment. Linearity (over a calibration range of 0.05-50ppm) was evaluated for both methods, with r(2) values ranging from 0.9889 to 1.000. Reproducibility over 10 consecutive injections of a 5ppm standard ranged from 0.01 to 0.22% relative standard deviation (RSD) for retention time and 0.29 to 2.16%RSD for peak area. The anion and cation separations were performed simultaneously by using two Dionex ICS-2000 chromatographs served by a single autoinjector. The efficacy of the developed methods was demonstrated by analysis of residue samples taken from witness plates and soils collected following the controlled detonation of a series of different inorganic homemade explosives. The results obtained were also confirmed by parallel analysis of the same samples by capillary electrophoresis (CE) with excellent agreement being obtained.

Strongly perturbed Rydberg series originating from Kr II 4p45s ionic states

International Nuclear Information System (INIS)

Petrov, I.D.; Demekhin, P.V.; Lagutin, B.M.; Sukhorukov, V.L.; Kammer, S.; Mickat, S.; Schartner, K.-H.; Ehresmann, A.; Klumpp, S.; Werner, L.; Schmoranzer, H.

2004-01-01

Full text:Dispersed fluorescence excitation spectra for KrII fluorescence transitions to the 4p 4 5s 4 P 3/2 , 5/2 states were observed after excitation out of the KrI ground state with photons of energies between 28.4 eV and 28.7 eV and very narrow exciting-photon bandwidth of 1.7 meV. With this energy resolution it was possible to observe Rydberg series of doubly excited atomic states. The observed series were assigned to the states 4p 4 5s( 4 P 1/2 )np and 4p 4 5s( 2 P 3/2 )np ,based on calculations performed within theory taking into account interaction between many resonances and many continua. Calculated and measured cross sections are compared for the 4p - level (upper panel, ion yield) and for the 4p 4 5s 4 P 5/2 level (lower panel). An analysis of the computed photoionization (PI) cross sections shows that high - n members of Rydberg series are strongly perturbed by interaction with low - n ones of other series. In particular, the series shown are well pronounced because they borrow intensity from the low - n 4p 4 5s( 2 D 5/2 )6p 3/2 doublyexcited state. The above Rydberg series are predicted to be observable in photoelectron experiments, too. FIG. 1 shows, e.g., that members of the 4p 4 5s( 2 P 3/2 )np series starting from n 14 could also be observed in the 4p 4 5s 4P 1/2 observer channel at low photoelectron energies

Testing in support of on-site storage of residues in the Pipe Overpack Container

International Nuclear Information System (INIS)

Ammerman, D.J.; Bobbe, J.G.; Arviso, M.

1997-02-01

The disposition of the large back-log of plutonium residues at the Rocky Flats Environmental Technology Site (Rocky Flats) will require interim storage and subsequent shipment to a waste repository. Current plans call for disposal at the Waste Isolation Pilot Plant (WIPP) and the transportation to WIPP in the TRUPACT-II. The transportation phase will require the residues to be packaged in a container that is more robust than a standard 55-gallon waste drum. Rocky Flats has designed the Pipe Overpack Container to meet this need. It is desirable to use this same waste packaging for interim on-site storage in non-hardened buildings. To meet the safety concerns for this storage the Pipe Overpack Container has been subjected to a series of tests at Sandia National Laboratories in Albuquerque, New Mexico. In addition to the tests required to qualify the Pipe Overpack Container as a waste container for shipment in the TRUPACT-II several tests were performed solely for the purpose of qualifying the container for interim storage. This report will describe these tests and the packages response to the tests. 12 figs., 3 tabs

Interactions of Nickel(II) with histones: interactions of Nickel(II) with CH3CO-Thr-Glu-Ser-His-His-Lys-NH2, a peptide modeling the potential metal binding site in the "C-Tail" region of histone H2A.

Science.gov (United States)

Bal, W; Lukszo, J; Bialkowski, K; Kasprzak, K S

1998-09-01

A combined pH-metric and spectroscopic (UV/vis, CD, NMR) study of the Ni(II) binding to CH3CO-Thr-Glu-Ser-His-His-Lys-NH2 (AcTESHHKam), a blocked hexapeptide modeling a part of the C-terminal sequence of the major variant of histone H2A (residues 120-125), revealed the formation of a pseudo-octahedral NiHL complex in weakly acidic and neutral solutions. Ni(II) is bound to the peptide through imidazole nitrogens on both of its histidine residues and the carboxylate of the side chain of glutamic acid. At higher pH, a series of square-planar complexes are formed. This process is accompanied by hydrolytic degradation of the peptide. At pH 7.4, the peptide hydrolyzes in a Ni(II)-assisted fashion, yielding the square-planar Ni(II) complex of SHHKam as the sole product detected by CD, MALDI-TOF MS, and HPLC. Quantitative analysis of complex stabilities indicates that the -TESHHK- motif is a very likely binding site for carcinogenic Ni(II) ions in the cell nucleus. The Ni(II)-assisted hydrolysis of the C-terminal chain of histone H2A may provide a novel mechanism of genotoxicity combining the damage to the nucleosome with the generation of further toxic Ni(II) species.

Molecular analysis of pericentrin gene (PCNT) in a series of 24 Seckel/microcephalic osteodysplastic primordial dwarfism type II (MOPD II) families.

Science.gov (United States)

Willems, M; Geneviève, D; Borck, G; Baumann, C; Baujat, G; Bieth, E; Edery, P; Farra, C; Gerard, M; Héron, D; Leheup, B; Le Merrer, M; Lyonnet, S; Martin-Coignard, D; Mathieu, M; Thauvin-Robinet, C; Verloes, A; Colleaux, L; Munnich, A; Cormier-Daire, V

2010-12-01

Microcephalic osteodysplastic primordial dwarfism type II (MOPD II, MIM 210720) and Seckel syndrome (SCKL, MIM 210600) belong to the primordial dwarfism group characterised by intrauterine growth retardation, severe proportionate short stature, and pronounced microcephaly. MOPD II is distinct from SCKL by more severe growth retardation, radiological abnormalities, and absent or mild mental retardation. Seckel syndrome is associated with defective ATR dependent DNA damage signalling. In 2008, loss-of-function mutations in the pericentrin gene (PCNT) have been identified in 28 patients, including 3 SCKL and 25 MOPDII cases. This gene encodes a centrosomal protein which plays a key role in the organisation of mitotic spindles. The aim of this study was to analyse PCNT in a large series of SCKL-MOPD II cases to further define the clinical spectrum associated with PCNT mutations. Among 18 consanguineous families (13 SCKL and 5 MOPDII) and 6 isolated cases (3 SCKL and 3 MOPD II), 13 distinct mutations were identified in 5/16 SCKL and 8/8 MOPDII including five stop mutations, five frameshift mutations, two splice site mutations, and one apparent missense mutation affecting the last base of exon 19. Moreover, we demonstrated that this latter mutation leads to an abnormal splicing with a predicted premature termination of translation. The clinical analysis of the 5 SCKL cases with PCNT mutations showed that they all presented minor skeletal changes and clinical features compatible with MOPDII diagnosis. It is therefore concluded that, despite variable severity, MOPDII is a genetically homogeneous condition due to loss-of-function of pericentrin.

Homology modeling and docking of AahII-Nanobody complexes reveal the epitope binding site on AahII scorpion toxin.

Science.gov (United States)

Ksouri, Ayoub; Ghedira, Kais; Ben Abderrazek, Rahma; Shankar, B A Gowri; Benkahla, Alia; Bishop, Ozlem Tastan; Bouhaouala-Zahar, Balkiss

2018-02-19

Scorpion envenoming and its treatment is a public health problem in many parts of the world due to highly toxic venom polypeptides diffusing rapidly within the body of severely envenomed victims. Recently, 38 AahII-specific Nanobody sequences (Nbs) were retrieved from which the performance of NbAahII10 nanobody candidate, to neutralize the most poisonous venom compound namely AahII acting on sodium channels, was established. Herein, structural computational approach is conducted to elucidate the Nb-AahII interactions that support the biological characteristics, using Nb multiple sequence alignment (MSA) followed by modeling and molecular docking investigations (RosettaAntibody, ZDOCK software tools). Sequence and structural analysis showed two dissimilar residues of NbAahII10 CDR1 (Tyr27 and Tyr29) and an inserted polar residue Ser30 that appear to play an important role. Indeed, CDR3 region of NbAahII10 is characterized by a specific Met104 and two negatively charged residues Asp115 and Asp117. Complex dockings reveal that NbAahII17 and NbAahII38 share one common binding site on the surface of the AahII toxin divergent from the NbAahII10 one's. At least, a couple of NbAahII10 - AahII residue interactions (Gln38 - Asn44 and Arg62, His64, respectively) are mainly involved in the toxic AahII binding site. Altogether, this study gives valuable insights in the design and development of next generation of antivenom. Copyright © 2018 Elsevier Inc. All rights reserved.

Preparation and adsorption characteristics for heavy metals of active silicon adsorbent from leaching residue of lead-zinc tailings.

Science.gov (United States)

Lei, Chang; Yan, Bo; Chen, Tao; Xiao, Xian-Ming

2018-05-19

To comprehensively reuse the leaching residue obtained from lead-zinc tailings, an active silicon adsorbent (ASA) was prepared from leaching residue and studied as an adsorbent for copper(II), lead(II), zinc(II), and cadmium(II) in this paper. The ASA was prepared by roasting the leaching residue with either a Na 2 CO 3 /residue ratio of 0.6:1 at 700 °C for 1 h or a CaCO 3 /residue ratio of 0.8:1 at 800 °C for 1 h. Under these conditions, the available SiO 2 content of the ASA was more than 20%. The adsorption behaviors of the metal ions onto the ASA were investigated and the Langmuir, Freundlich, and Dubinin-Radushkevich isotherm models were used to analyze the adsorption isotherm. The result showed that the maximum adsorption capacities of copper(II), lead(II), cadmium(II), and zinc(II) calculated by the Langmuir model were 3.40, 2.83, 0.66, and 0.62 mmol g -1 , respectively. The FT-IR spectra of the ASA and the mean free adsorption energies indicated that ion exchange was the mechanism of copper(II), lead(II), and cadmium(II) adsorption and that chemical reaction was the mechanism of zinc(II) adsorption. These results provide a method for reusing the leaching residue obtained from lead-zinc tailings and show that the ASA is an effective adsorbent for heavy metal pollution remediation.

Application of the NSGA-II algorithm to a multi-period inventory-redundancy allocation problem in a series-parallel system

International Nuclear Information System (INIS)

Alikar, Najmeh; Mousavi, Seyed Mohsen; Raja Ghazilla, Raja Ariffin; Tavana, Madjid; Olugu, Ezutah Udoncy

2017-01-01

In this paper, we formulate a mixed-integer binary non-linear programming model to study a series-parallel multi-component multi-periodic inventory-redundancy allocation problem (IRAP). This IRAP is a novel redundancy allocation problem (RAP) because components (products) are purchased under an all unit discount (AUD) policy and then installed on a series-parallel system. The total budget available for purchasing the components, the storage space, the vehicle capacities, and the total weight of the system are limited. Moreover, a penalty function is used to penalize infeasible solutions, generated randomly. The overall goal is to find the optimal number of the components purchased for each subsystem so that the total costs including ordering cost, holding costs, and purchasing cost are minimized while the system reliability is maximized, simultaneously. A non-dominated sorting genetic algorithm-II (NSGA-II), a multi-objective particle swarm optimization (MOPSO), and a multi-objective harmony search (MOHS) algorithm are applied to obtain the optimal Pareto solutions. While no benchmark is available in the literature, some numerical examples are generated randomly to evaluate the results of NSGA-II on the proposed IRAP. The results are in favor of NSGA-II. - Highlights: • An inventory control system employing an all-unit discount policy is considered in the proposed model. • The proposed model considers limited total budget, storage space, transportation capacity, and total weight. Moreover, a penalty function is used to penalize infeasible solutions. • The overall goal is to find the optimal number components purchased for each subsystem so that the total costs including ordering cost, holding cost and purchasing cost are minimized and the system reliability are maximized, simultaneously. • A NSGA-II algorithm is derived where a multi-objective particle swarm optimization and a multi-objective harmony search algorithm are used to evaluate the NSGA-II results.

Modelling of the long-term fate of pesticide residues in agricultural soils and their surface exchange with the atmosphere: Part II. Projected long-term fate of pesticide residues.

Science.gov (United States)

Scholtz, M T; Bidleman, T F

2007-05-01

In the first part of this paper, a simple coupled dynamic soil-atmosphere model for studying the gaseous exchange of pesticide soil residues with the atmosphere is described and evaluated by comparing model results with published measurements of pesticide concentrations in air and soil. In Part II, the model is used to study the concentration profiles of pesticide residues in both undisturbed and annually tilled agricultural soils. Future trends are estimated for the measured air and soil concentrations of lindane and six highly persistent pesticides (toxaphene, p,p'-DDE, dieldrin, cis- and trans-chlordane and trans-nonachlor) over a twenty-year period due to volatilization and leaching into the deeper soil. Wet deposition and particle associated pesticide deposition (that increase soil residue concentrations) and soil erosion, degradation in the soil (other than for lindane) and run-off in precipitation are not considered in this study. Estimates of the rain deposition fluxes are reported that show that, other than for lindane, net volatilization fluxes greatly exceed rain deposition fluxes. The model shows that the persistent pesticides studied are highly immobile in soil and that loss of these highly persistent residues from the soil is by volatilization rather than leaching into the deeper soil. The soil residue levels of these six pesticides are currently sources of net volatilization to the atmosphere and will remain so for many years. The maximum rate of volatilization from the soil was simulated by setting the atmospheric background concentration to zero; these simulations show that the rates of volatilization will not be significantly increased since soil resistance rather than the atmospheric concentration controls the volatilization rates. Annual tilling of the soils increases the volatilization loss to the atmosphere. Nonetheless, the model predicts that, if only air-soil exchange is considered, more than 76% of current persistent pesticide residues

Strongly perturbed Rydberg series originating from KrII 4p45s ionic states

International Nuclear Information System (INIS)

Petrov, I.D.; Demekhin, Ph.V.; Lagutin, B.M.; Sukhorukov, V.L.; Kammer, S.; Mickat, S.; Schartner, K.-H.; Ehresmann, A.; Klumpp, S.; Werner, L.; Schmoranzer, H.

2005-01-01

Photoionization cross-sections for the 4p 4 ( 3 P) 5s 4 P 5/2,3/2,1/2 satellites and 4s, 4p main levels of Kr II in the exciting-photon energy range between 28.48 and 28.70-bar eV with extremely narrow bandwidth (1.7-bar meV at 28.55-bar eV) of the monochromatized synchrotron radiation were measured utilizing the photon-induced fluorescence spectroscopy. The observed resonances were assigned to the 4p 4 5s( 4 P 1/2 )n p and 4p 4 5s( 2 P 3/2 )n p Rydberg series on the basis of calculations performed with taking into account core relaxation and interaction between many resonances and many continua. The calculation shows that the resonance structure in the photoionization channels exists due to 4p 4 ( 1 D) 5s 2 D 5/2 6p 3/2 promoter state which also strongly perturbs the above Rydberg series.

Unknown facets of Well-Known Scientists Series - Part II

Directory of Open Access Journals (Sweden)

V S Dixit

2016-01-01

Full Text Available 1st in the series of articles on “Unknown Facets of well-known Scientists” was about Sir Frederick Grant Banting, co-discoverer of Insulin, who also researched in Aviation and Diving Medicines, results of which brought extraordinary benefits for Flight crew during the World War II. The article was published in the previous issue of the Journal Unknown facets could be celebrated attributes, talents or otherwise, but it is necessary that we get to know fully about the “great mind". THIS ARTICLE IS ABOUT DR WERNER THEODOR OTTO FORSSMANN, A CARDIOLOGIST, WHO BECAME A UROLOGIST! Does the name Dr Forssmann ring a bell? He shared the 1956 Nobel Prize in Physiology or Medicine with “Andre Cournand and Dickinson Richards". The trio was awarded for their “discoveries concerning heart catheterization and pathological changes in the circulatory system". Dr Forssmann was nominated for performing an experiment in which he introduced a catheter into a vein of his arm, further passing it onward into his heart It was risky. This was in the year 1929. Subject of this article is the self-experimentation he carried out and what happened later.

Internet-Based Cognitive Behavioral Therapy for Residual Symptoms in Bipolar Disorder Type II: A Single-Subject Design Pilot Study.

Science.gov (United States)

Holländare, Fredrik; Eriksson, Annsofi; Lövgren, Lisa; Humble, Mats B; Boersma, Katja

2015-04-23

Bipolar disorder is a chronic condition with recurring episodes that often lead to suffering, decreased functioning, and sick leave. Pharmacotherapy in the form of mood stabilizers is widely available, but does not eliminate the risk of a new depressive or (hypo)manic episode. One way to reduce the risk of future episodes is to combine pharmacological treatment with individual or group psychological interventions. However, access to such interventions is often limited due to a shortage of trained therapists. In unipolar depression there is now robust evidence of the effectiveness of Internet-based psychological interventions, usually comprising psychoeducation and cognitive behavioral therapy (CBT). Internet-based interventions for persons suffering from bipolar disorder could increase access to psychological treatment. The aim of this study was to investigate the feasibility of an Internet-based intervention, as well as its effect on residual depressive symptoms in persons diagnosed with bipolar disorder type II (BP-II). The most important outcomes were depressive symptoms, treatment adherence, and whether the patient perceived the intervention as helpful. A total of 7 patients diagnosed with bipolar disorder type II at a Swedish psychiatric outpatient clinic were offered the opportunity to participate. Of the 7 patients, 3 (43%) dropped out before treatment began, and 4 (57%) were treated by means of an online, Internet-based intervention based on CBT (iCBT). The intervention was primarily aimed at psychoeducation, treatment of residual depressive symptoms, emotion regulation, and improved sleep. All patients had ongoing pharmacological treatment at recruitment and established contact with a psychiatrist. The duration of BP-II among the treated patients was between 6 and 31 years. A single-subject design was used and the results of the 4 participating patients were presented individually. Initiating treatment was perceived as too demanding under current life

On the comparison of perturbation-iteration algorithm and residual power series method to solve fractional Zakharov-Kuznetsov equation

Science.gov (United States)

Şenol, Mehmet; Alquran, Marwan; Kasmaei, Hamed Daei

2018-06-01

In this paper, we present analytic-approximate solution of time-fractional Zakharov-Kuznetsov equation. This model demonstrates the behavior of weakly nonlinear ion acoustic waves in a plasma bearing cold ions and hot isothermal electrons in the presence of a uniform magnetic field. Basic definitions of fractional derivatives are described in the Caputo sense. Perturbation-iteration algorithm (PIA) and residual power series method (RPSM) are applied to solve this equation with success. The convergence analysis is also presented for both methods. Numerical results are given and then they are compared with the exact solutions. Comparison of the results reveal that both methods are competitive, powerful, reliable, simple to use and ready to apply to wide range of fractional partial differential equations.

Statistical study of a series of 672 carcinomas of the cervix: results and complications according to age and modalities of treatment

International Nuclear Information System (INIS)

Pernot, M.; Hoffstetter, S.; Peiffert, D.; Carolus, J.M.; Guillemin, F.; Verhaeghe, J.L.; Marchal, C.; Luporsi, E.; Beckendorf, V.; Stines, J.; Aletti, P.; Dartois, D.; Lesur, A.; Bey, P.

1995-01-01

The study bears on 672 infiltrating carcinomas of the cervix treated from 1977 until the end of 1991, by a radiosurgical combination (311 patients) or by exclusive irradiation (361 patients). The radiosurgical series includes mostly stages 1 B and II and patients under 50 years because of the therapeutic protocol. Most of the patients aged over 50 years and all stages III were treated by exclusive irradiation. External beam irradiation was most often performed in 4 fields by linear accelerator of 12 and 25 MeV. Utero vaginal brachytherapy used the technique of molds. In 55 cases, a complementary interstitial brachytherapy was applied on residual node. A computer dosimetry was made for each patient with calculation of the doses delivered to organs at risk and to node areas . The results at 5 years are as follows for the total series: locoregional control (LRC) 79%, specific survival (SS) 73%, overall survival 70%. For stage I, the LRC of the radiosurgical series is 92%, that of the series of exclusive irradiation 87%. For stage II, the LRC is 70% in the radiosurgical series and 79% in the series of exclusive irradiation. Conversely, for distal stage II, the difference is very significant in favour of exclusive irradiation (LRC 31%/77%, SS 26%/70%). If we consider the results according to age, the difference for distal stage II comes mostly from patients under 50 years and especially those aged 40 years or under. For stage III, the LRC is 61% for patients over 50 years and 34% for those aged 50 years or under. As the nodes, the results of surgical pieces and lymphadenectomy are studied. The patients under 40 years in stages II and III present more metastases than others. Among the therapeutic factors, the dose rate and the treatment duration were particularly studied. A detailed study of the complications is made for the radiosurgical series as for the series of exclusive irradiation according to the French Italian glossary of complications as well as a study of the

Non-enzymatic N-acetylation of Lysine Residues by AcetylCoA Often Occurs via a Proximal S-acetylated Thiol Intermediate Sensitive to Glyoxalase II

Directory of Open Access Journals (Sweden)

Andrew M. James

2017-02-01

Full Text Available Summary: Acetyl coenzyme A (AcCoA, a key intermediate in mitochondrial metabolism, N-acetylates lysine residues, disrupting and, in some cases, regulating protein function. The mitochondrial lysine deacetylase Sirtuin 3 (Sirt3 reverses this modification with benefits reported in diabetes, obesity, and aging. We show that non-enzymatic lysine N-acetylation by AcCoA is greatly enhanced by initial acetylation of a cysteine residue, followed by SN-transfer of the acetyl moiety to a nearby lysine on mitochondrial proteins and synthetic peptides. The frequent occurrence of an S-acetyl intermediate before lysine N-acetylation suggests that proximity to a thioester is a key determinant of lysine susceptibility to acetylation. The thioesterase glyoxalase II (Glo2 can limit protein S-acetylation, thereby preventing subsequent lysine N-acetylation. This suggests that the hitherto obscure role of Glo2 in mitochondria is to act upstream of Sirt3 in minimizing protein N-acetylation, thus limiting protein dysfunction when AcCoA accumulates. : James et al. show that the non-enzymatic N-acetylation of lysine residues in mitochondrial proteins frequently occurs via a proximal S-acetylated thiol intermediate. Glutathione equilibrates with this intermediate, allowing the thioesterase glyoxalase II to limit protein lysine N-acetylation. These findings expand our understanding of how protein acetylation arises. Keywords: AcetylCoA, lysine acetylation, glyoxalase

Synthesis and characterization of heterobimetallic complexes of the type [Cu(pn2][MCl4] where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II, and Hg(II

Directory of Open Access Journals (Sweden)

Seema Yadav

2016-11-01

Full Text Available A series of new bimetallic transition metal complexes of the type [Cu(pn2] [MCl4] have been synthesized (where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II and Hg(II, pn = 1,3-diaminopropane and characterized by elemental analysis, molar conductance, TGA, IR and electronic spectra. All the compounds are 1:1 electrolyte in DMF. The Cu(II ion is square-planar while metal ions in the anionic moiety acquire their usual tetrahedral arrangement. On the basis of these studies it is concluded that anionic moiety is electrically stabilized by its cationic counterpart.

The P9 pocket of HLA-DQ2 (non-Aspbeta57) has no particular preference for negatively charged anchor residues found in other type 1 diabetes-predisposing non-Aspbeta57 MHC class II molecules

DEFF Research Database (Denmark)

Quarsten, H; Paulsen, G; Johansen, B H

1998-01-01

Susceptibility and resistance to type 1 diabetes are associated with MHC class II alleles that carry non-Asp and Asp at residue 57 of their beta chain respectively. The effect of Asp or non-Aspbeta57 may relate to a differential ability of distinct class II molecules to bind specific immuno......-pathogenic peptides. Recent studies in man and mouse have revealed that some type 1 diabetes-predisposing non-Aspbeta57 class II molecules (i.e. DQ8, DR4Dw15 and I-Ag7) preferentially bind peptides with a negatively charged anchor residue at P9. It has been suggested that this is a common feature of type 1 diabetes......-predisposing class II molecules. The molecular explanation for such a phenomenon could be that class II beta chains with Aspbeta57 form a salt bridge between Aspbeta57 and a conserved Arg of the a chain, whereas in non-Aspbeta57 molecules the Arg is unopposed and free to interact with negatively charged P9 peptide...

Silver(I)-promoted conversion of thioamides to amidines: divergent synthesis of a key series of vancomycin aglycon residue 4 amidines that clarify binding behavior to model ligands.

Science.gov (United States)

Okano, Akinori; James, Robert C; Pierce, Joshua G; Xie, Jian; Boger, Dale L

2012-05-30

Development of a general Ag(I)-promoted reaction for the conversion of thioamides to amidines is disclosed. This reaction was employed to prepare a key series of vancomycin aglycon residue 4 substituted amidines that were used to clarify their interaction with model ligands of peptidoglycan precursors and explore their resulting impact on antimicrobial properties.

Residual stresses due to weld repairs, cladding and electron beam welds and effect of residual stresses on fracture behavior. Annual report, September 1, 1977--November 30, 1978

International Nuclear Information System (INIS)

Rybicki, E.F.

1978-11-01

The study is divided into three tasks. Task I is concerned with predicting and understanding the effects of residual stresses due to weld repairs of pressure vessels. Task II examines residual stresses due to an electron beam weld. Task III addresses the problem of residual stresses produced by weld cladding at a nozzle vessel intersection. The objective of Task I is to develop a computational model for predicting residual stress states due to a weld repair of pressure vessel and thereby gain an understanding of the mechanisms involved in the creation of the residual stresses. Experimental data from the Heavy Section Steel Technology (HSST) program at Oak Ridge National Laboratories (ORNL) is used to validate the computational model. In Task II, the residual stress model is applied to the case of an electron beam weld of a compact tension freacture specimen. The results in the form of residual stresses near the weld are then used to explain unexpected fracture behavior which is observed in the testing of the specimen. For Task III, the residual stress model is applied to the cladding process used in nozzle regions of nuclear pressure vessels. The residual stresses obtained from this analysis are evaluated to determine their effect on the phenomena of under-clad cracking

The Cauchy method of residues

CERN Document Server

Mitrinović, Dragoslav S

1993-01-01

Volume 1, i. e. the monograph The Cauchy Method of Residues - Theory and Applications published by D. Reidel Publishing Company in 1984 is the only book that covers all known applications of the calculus of residues. They range from the theory of equations, theory of numbers, matrix analysis, evaluation of real definite integrals, summation of finite and infinite series, expansions of functions into infinite series and products, ordinary and partial differential equations, mathematical and theoretical physics, to the calculus of finite differences and difference equations. The appearance of Volume 1 was acknowledged by the mathematical community. Favourable reviews and many private communications encouraged the authors to continue their work, the result being the present book, Volume 2, a sequel to Volume 1. We mention that Volume 1 is a revised, extended and updated translation of the book Cauchyjev raeun ostataka sa primenama published in Serbian by Nau~na knjiga, Belgrade in 1978, whereas the greater part ...

Residual stresses around Vickers indents

International Nuclear Information System (INIS)

Pajares, A.; Guiberteau, F.; Steinbrech, R.W.

1995-01-01

The residual stresses generated by Vickers indentation in brittle materials and their changes due to annealing and surface removal were studied in 4 mol% yttria partially stabilized zirconia (4Y-PSZ). Three experimental methods to gain information about the residual stress field were applied: (i) crack profile measurements based on serial sectioning, (ii) controlled crack propagation in post indentation bending tests and (iii) double indentation tests with smaller secondary indents located around a larger primary impression. Three zones of different residual stress behavior are deduced from the experiments. Beneath the impression a crack free spherical zone of high hydrostatic stresses exists. This core zone is followed by a transition regime where indentation cracks develop but still experience hydrostatic stresses. Finally, in an outward third zone, the crack contour is entirely governed by the tensile residual stress intensity (elastically deformed region). Annealing and surface removal reduce this crack driving stress intensity. The specific changes of the residual stresses due to the post indentation treatments are described and discussed in detail for the three zones

Cr(III,Mn(II,Fe(III,Co(II,Ni(II,Cu(II and Zn(II Complexes with Diisobutyldithiocarbamato Ligand

Directory of Open Access Journals (Sweden)

Mohammad Tarique

2011-01-01

Full Text Available The synthesis of sulphur and nitrogen containing dithiocarbamato ligand derived from diisobutylamine as well as its coordination compounds with 3d series transition metals is presented. These synthesized compounds were characterized on the basis of elemental analysis, conductometric measurements and IR spectral studies. The analytical data showed the stoichiometry 1:2 and 1:3 for the compounds of the types ML2 {M=Mn(II, Co(II, Ni(II, Cu(II and Zn(II} and M'L3{M'=Cr(III and Fe(III} respectively. The conductometric measurements proved the non-electrolytic behaviour of all the compounds. The bidentate nature of dithiocarbamato moiety was confirmed on the basis of IR spectral data.

Spectroscopic evidence for gas-phase formation of successive beta-turns in a three-residue peptide chain.

Science.gov (United States)

Chin, Wutharath; Compagnon, Isabelle; Dognon, Jean-Pierre; Canuel, Clélia; Piuzzi, François; Dimicoli, Iliana; von Helden, Gert; Meijer, Gerard; Mons, Michel

2005-02-09

We report the first gas-phase spectroscopic study of a three-residue model of a peptide chain, Ac-Phe-Gly-Gly-NH2 (Ac = acetyl), using the IR/UV double resonance technique. The existence of at least five different conformers under supersonic expansion conditions is established, most of them exhibiting rather strong intramolecular H-bonds. One of the most populated conformers, however, exhibits a different H-bonding network characterized by two weak H-bonds. Comparison of the amide A and I/II experimental data with density functional theory calculations carried out on a series of selected conformations enables us to assign this conformer to two successive beta-turns along the peptide chain, the two H-bonds being of C10 type, i.e., each of them closing a 10-atom ring in the molecule. The corresponding form is found to be more stable than the 310 helix secondary structure (not observed), presumably because of specific effects due to the glycine residues.

Removal of heavy metals from aqueous solution by Carrot residues

International Nuclear Information System (INIS)

Eslamzadeh, T.; Nasernejad, B.; Bonakdar Pour, B.; Zamani, A.; Esmaail-Beygi, M.

2004-01-01

The removal of Copper(II), Zinc(II), and Chromium (III) from wastewater by carrot residues was investigated to evaluate cation exchange capacity. The effects of solution P H and co-ions were studied in batch experiments. Adsorption equilibria were initially rapidly established, and then decreased markedly after 10 min. Column experiments were carried out in a glass column filled with carrot residues to evaluate the metal removal capacity. The influences of the feed concentration and feed rate were also studied in order to compare the dynamic capacity for metal binding in different feed concentrations

pH-dependence of the specific binding of Cu(II) and Zn(II) ions to the amyloid-β peptide

International Nuclear Information System (INIS)

Ghalebani, Leila; Wahlström, Anna; Danielsson, Jens; Wärmländer, Sebastian K.T.S.; Gräslund, Astrid

2012-01-01

Highlights: ► Cu(II) and Zn(II) display pH-dependent binding to the Aβ(1–40) peptide. ► At pH 7.4 both metal ions display residue-specific binding to the Aβ peptide. ► At pH 5.5 the binding specificity is lost for Zn(II). ► Differential Cu(II) and Zn(II) binding may help explain metal-induced AD toxicity. -- Abstract: Metal ions like Cu(II) and Zn(II) are accumulated in Alzheimer’s disease amyloid plaques. The amyloid-β (Aβ) peptide involved in the disease interacts with these metal ions at neutral pH via ligands provided by the N-terminal histidines and the N-terminus. The present study uses high-resolution NMR spectroscopy to monitor the residue-specific interactions of Cu(II) and Zn(II) with 15 N- and 13 C, 15 N-labeled Aβ(1–40) peptides at varying pH levels. At pH 7.4 both ions bind to the specific ligands, competing with one another. At pH 5.5 Cu(II) retains its specific histidine ligands, while Zn(II) seems to lack residue-specific interactions. The low pH mimics acidosis which is linked to inflammatory processes in vivo. The results suggest that the cell toxic effects of redox active Cu(II) binding to Aβ may be reversed by the protective activity of non-redox active Zn(II) binding to the same major binding site under non-acidic conditions. Under acidic conditions, the protective effect of Zn(II) may be decreased or changed, since Zn(II) is less able to compete with Cu(II) for the specific binding site on the Aβ peptide under these conditions.

What marketing scholars should know about time series analysis : time series applications in marketing

NARCIS (Netherlands)

Horváth, Csilla; Kornelis, Marcel; Leeflang, Peter S.H.

2002-01-01

In this review, we give a comprehensive summary of time series techniques in marketing, and discuss a variety of time series analysis (TSA) techniques and models. We classify them in the sets (i) univariate TSA, (ii) multivariate TSA, and (iii) multiple TSA. We provide relevant marketing

A series of octanuclear-nickel(II) complexes supported by thiacalix[4]arenes.

Science.gov (United States)

Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Zhou, Youfu; Yuan, Daqiang; Su, Kongzhao; Wang, Xinyi; Hong, Maochun

2012-03-05

A series of discrete complexes, [Ni(8)(BTC4A)(2)(μ(6)-CO(3))(2)(μ-CH(3)COO)(4)(dma)(4)]·H(2)O (1), [Ni(8)(BTC4A)(2)(μ(6)-CO(3))(2)(μ-Cl)(2)(μ-HCOO)(2)(dma)(4)]·2DMF·2CH(3)CN (2), [Ni(8)(PTC4A)(2) (μ(6)-CO(3))(2)(μ-CH(3)COO)(4)(dma)(4)]·DMF (3), and [Ni(8)(PTC4A)(2)(μ(6)-CO(3))(2)(μ-OH)(μ-HCOO)(3) (dma)(4)] (4) (p-tert-butylthiacalix[4]arene = H(4)BTC4A, p-phenylthiacalix[4]arene = H(4)PTC4A, dma = dimethylamine, and DMF = N,N'-dimethylformamide), have been prepared under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction analyses, powder XRD, and IR spectroscopy. These four complexes are stacked by dumbbell-like building blocks with one chairlike octanuclear-nickel(II) core, which is capped by two thiacalix[4]arene molecules and connected by two in situ generated carbonato anions and different auxiliary anions. This work implied that not only the solvent molecules but also the upper-rim groups of thiacalix[4]arenes have significant effects on the self-assembly of the dumbbell-like building blocks. The magnetic properties of complexes 1-4 were examined, indicating strong antiferromagnetic interactions between the nickel(II) ions in the temperature range of 50-300 K.

Residues from waste incineration. Final report

Energy Technology Data Exchange (ETDEWEB)

Astrup, T.; Juul Pedersen, A.; Hyks, J.; Frandsen, F.J.

2009-08-15

The overall objective of the project was to improve the understanding of the formation and characteristics of residues from waste incineration. This was done focusing on the importance of the waste input and the operational conditions of the furnace. Data and results obtained from the project have been discussed in this report according to the following three overall parts: i) mass flows and element distribution, ii) flue gas/particle partitioning and corrosion/deposition aspects, and iii) residue leaching. This has been done with the intent of structuring the discussion while tacitly acknowledging that these aspects are interrelated and cannot be separated. Overall, it was found that the waste input composition had significant impact of the characteristics of the generated residues. A similar correlation between operational conditions and residue characteristics could not be observed. Consequently, the project recommend that optimization of residue quality should focus on controlling the waste input composition. The project results showed that including specific waste materials (and thereby also excluding the same materials) may have significant effects on the residue composition, residue leaching, aerosol and deposit formation.It is specifically recommended to minimize Cl in the input waste. Based on the project results, it was found that a significant potential for optimization of waste incineration exist. (author)

Technical Information on the Carbonation of the EBR-II Reactor, Summary Report Part 1: Laboratory Experiments and Application to EBR-II Secondary Sodium System

Energy Technology Data Exchange (ETDEWEB)

Steven R. Sherman

2005-04-01

Residual sodium is defined as sodium metal that remains behind in pipes, vessels, and tanks after the bulk sodium metal has been melted and drained from such components. The residual sodium has the same chemical properties as bulk sodium, and differs from bulk sodium only in the thickness of the sodium deposit. Typically, sodium is considered residual when the thickness of the deposit is less than 5-6 cm. This residual sodium must be removed or deactivated when a pipe, vessel, system, or entire reactor is permanently taken out of service, in order to make the component or system safer and/or to comply with decommissioning regulations. As an alternative to the established residual sodium deactivation techniques (steam-and-nitrogen, wet vapor nitrogen, etc.), a technique involving the use of moisture and carbon dioxide has been developed. With this technique, sodium metal is converted into sodium bicarbonate by reacting it with humid carbon dioxide. Hydrogen is emitted as a by-product. This technique was first developed in the laboratory by exposing sodium samples to humidified carbon dioxide under controlled conditions, and then demonstrated on a larger scale by treating residual sodium within the Experimental Breeder Reactor II (EBR-II) secondary cooling system, followed by the primary cooling system, respectively. The EBR-II facility is located at the Idaho National Laboratory (INL) in southeastern Idaho, U.S.A. This report is Part 1 of a two-part report. It is divided into three sections. The first section describes the chemistry of carbon dioxide-water-sodium reactions. The second section covers the laboratory experiments that were conducted in order to develop the residual sodium deactivation process. The third section discusses the application of the deactivation process to the treatment of residual sodium within the EBR-II secondary sodium cooling system. Part 2 of the report, under separate cover, describes the application of the technique to residual sodium

Nonparametric factor analysis of time series

OpenAIRE

Rodríguez-Poo, Juan M.; Linton, Oliver Bruce

1998-01-01

We introduce a nonparametric smoothing procedure for nonparametric factor analaysis of multivariate time series. The asymptotic properties of the proposed procedures are derived. We present an application based on the residuals from the Fair macromodel.

Photo-degradation of CT-DNA with a series of carbothioamide ruthenium (II) complexes - Synthesis and structural analysis

Science.gov (United States)

Muthuraj, V.; Umadevi, M.

2018-04-01

The present research article is related with the method of preparation, structure and spectroscopic properties of a series of carbothioamide ruthenium (II) complexes with N and S donor ligands namely, 2-((6-chloro-4-oxo-4H-chromen-3-yl)methylene) hydrazine carbothioamide (ClChrTs)/2-((6-methoxy-4-oxo-4H-chromen-3-yl)methylene)hydrazine carbothioamide (MeOChrTS). The synthesized complexes were characterized by several techniques using analytical methods as well as by spectral techniques such as FT-IR, 1HNMR, 13CNMR, ESI mass and thermogravimetry/differential thermal analysis (TG-DTA). The IR spectra shows that the ligand acts as a neutral bidentate with N and S donor atoms. The biological activity of the prepared compounds and metal complexes were tested against cell line of calf-thymus DNA via an intercalation mechanism (MCF-7). In addition, the interaction of Ru(II) complexes and its free ligands with CT-DNA were also investigated by titration with UV-Vis spectra, fluorescence spectra, and Circular dichroism studies. Results suggest that both of the two Ru(II) complexes can bind with calf-thymus DNA via an intercalation mechanism.

Adsorption-desorption, mobility and degradation of 14C-Glyphosate in two soil series

International Nuclear Information System (INIS)

Ismail, B. S.; Zaifah Abdul Kadir; Khairiah Jusoh; Nashriyah Mat

2002-01-01

The adsorption desorption and degradation of glyphosate (Roundup) have been studied using 14 C glyphosate in two soils, namely Serdang Series and Sungai Buloh Series. The percentage of adsorption was not significantly different (p 14 C- glyphosate was detected in 0-10 cm zone of the two soils studied. However, in Sungai Buloh Series, a significant amount of 14 C-glyphosate was detected in the 10-20 cm zone. A small amount of 14 C radioactivity was also detected in the leachate of the two soils. The percentage of degradation in the Sungai Buloh and Serdang Series soils was higher at 10 μg/ml and 50 μg/ml, concentration, respectively. At 50 μg/ml concentration the Sungai Buloh Series soil showed higher glyphosate residue (83%) as compared to Serdang Series (48%). In contrast, the glyphosate residue was found to be higher in the Serdang Series (73916) as compared to the Sungai Buloh Series (30%) at 10 μg/ml concentration. (Author)

Residue Phe112 of the Human-Type Corrinoid Adenosyltransferase (PduO) Enzyme of Lactobacillus reuteri Is Critical to the Formation of the Four-Coordinate Co(II) Corrinoid Substrate and to the Activity of the Enzyme

Energy Technology Data Exchange (ETDEWEB)

Mera, Paola E.; St. Maurice, Martin; Rayment, Ivan; Escalante-Semerena, Jorge C.; UW

2009-06-08

ATP:Corrinoid adenosyltransferases (ACAs) catalyze the transfer of the adenosyl moiety from ATP to cob(I)alamin via a four-coordinate cob(II)alamin intermediate. At present, it is unknown how ACAs promote the formation of the four-coordinate corrinoid species needed for activity. The published high-resolution crystal structure of the ACA from Lactobacillus reuteri (LrPduO) in complex with ATP and cob(II)alamin shows that the environment around the alpha face of the corrin ring consists of bulky hydrophobic residues. To understand how these residues promote the generation of the four-coordinate cob(II)alamin, variants of the human-type ACA enzyme from L. reuteri (LrPduO) were kinetically and structurally characterized. These studies revealed that residue Phe112 is critical in the displacement of 5,6-dimethylbenzimidazole (DMB) from its coordination bond with the Co ion of the ring, resulting in the formation of the four-coordinate species. An F112A substitution resulted in a 80% drop in the catalytic efficiency of the enzyme. The explanation for this loss of activity was obtained from the crystal structure of the mutant protein, which showed cob(II)alamin bound in the active site with DMB coordinated to the cobalt ion. The crystal structure of an LrPduO(F112H) variant showed a DMB-off/His-on interaction between the corrinoid and the enzyme, whose catalytic efficiency was 4 orders of magnitude lower than that of the wild-type protein. The analysis of the kinetic parameters of LrPduO(F112H) suggests that the F112H substitution negatively impacts product release. Substitutions of other hydrophobic residues in the Cbl binding pocket did not result in significant defects in catalytic efficiency in vitro; however, none of the variant enzymes analyzed in this work supported AdoCbl biosynthesis in vivo.

Unsaturated b-ketoesters and their Ni(II, Cu(II and Zn(II complexes

Directory of Open Access Journals (Sweden)

MUHAMMED BASHEER UMMATHUR

2009-03-01

Full Text Available A new series of b-ketoesters in which the keto group is attached to the olefinic linkage were synthesized by the reaction of methyl acetoacetate and aromatic aldehydes under specified conditions. The existence of these compounds predominantly in the intramolecularly hydrogen bonded enol form was well demonstrated from their IR, 1H-NMR and mass spectral data. Details on the formation of their [ML2] complexes with Ni(II, Cu(II and Zn(II and the nature of the bonding are discussed on the basis of analytical and spectral data.

Blast furnace residues for arsenic removal from mining-contaminated groundwater.

Science.gov (United States)

Carrillo-Pedroza, Fco Raúl; Soria-Aguilar, Ma de Jesús; Martínez-Luevanos, Antonia; Narvaez-García, Víctor

2014-01-01

In this work, blast furnace (BF) residues were well characterized and then evaluated as an adsorbent material for arsenic removal from a mining-contaminated groundwater. The adsorption process was analysed using the theories of Freundlich and Langmuir. BF residues were found to be an effective sorbent for As (V) ions. The modelling of adsorption isotherms by empirical models shows that arsenate adsorption is fitted by the Langmuir model, suggesting a monolayer adsorption of arsenic onto adsorbents. Arsenate adsorption onto BF residue is explained by the charge density surface affinity and by the formation of Fe (II) and Fe (III) corrosion products onto BF residue particles. The results indicate that BF residues represent an attractive low-cost absorbent option for the removal of arsenic in wastewater treatment.

Management of high sulfur coal combustion residues, issues and practices: Proceedings

Energy Technology Data Exchange (ETDEWEB)

Chugh, Y.P.; Beasley, G.A. [eds.

1994-10-01

Papers presented at the following sessions are included in this proceedings: (1) overview topic; (2) characterization of coal combustion residues; (3) environmental impacts of residues management; (4) materials handling and utilization, Part I; and (5) materials handling and utilization, Part II. Selected paper have been processed separately for inclusion in the Energy Science and Technology Database.

Characterization and evolutionary implications of the triad Asp-Xxx-Glu in group II phosphopantetheinyl transferases.

Science.gov (United States)

Wang, Yue-Yue; Li, Yu-Dong; Liu, Jian-Bo; Ran, Xin-Xin; Guo, Yuan-Yang; Ren, Ni-Ni; Chen, Xin; Jiang, Hui; Li, Yong-Quan

2014-01-01

Phosphopantetheinyl transferases (PPTases), which play an essential role in both primary and secondary metabolism, are magnesium binding enzymes. In this study, we characterized the magnesium binding residues of all known group II PPTases by biochemical and evolutionary analysis. Our results suggested that group II PPTases could be classified into two subgroups, two-magnesium-binding-residue-PPTases containing the triad Asp-Xxx-Glu and three-magnesium-binding-residue-PPTases containing the triad Asp-Glu-Glu. Mutations of two three-magnesium-binding-residue-PPTases and one two-magnesium-binding-residue-PPTase indicate that the first and the third residues in the triads are essential to activities; the second residues in the triads are non-essential. Although variations of the second residues in the triad Asp-Xxx-Glu exist throughout the whole phylogenetic tree, the second residues are conserved in animals, plants, algae, and most prokaryotes, respectively. Evolutionary analysis suggests that: the animal group II PPTases may originate from one common ancestor; the plant two-magnesium-binding-residue-PPTases may originate from one common ancestor; the plant three-magnesium-binding-residue-PPTases may derive from horizontal gene transfer from prokaryotes.

Finding Sums for an Infinite Class of Alternating Series

Science.gov (United States)

Chen, Zhibo; Wei, Sheng; Xiao, Xuerong

2012-01-01

Calculus II students know that many alternating series are convergent by the Alternating Series Test. However, they know few alternating series (except geometric series and some trivial ones) for which they can find the sum. In this article, we present a method that enables the students to find sums for infinitely many alternating series in the…

A Filtering of Incomplete GNSS Position Time Series with Probabilistic Principal Component Analysis

Science.gov (United States)

Gruszczynski, Maciej; Klos, Anna; Bogusz, Janusz

2018-04-01

For the first time, we introduced the probabilistic principal component analysis (pPCA) regarding the spatio-temporal filtering of Global Navigation Satellite System (GNSS) position time series to estimate and remove Common Mode Error (CME) without the interpolation of missing values. We used data from the International GNSS Service (IGS) stations which contributed to the latest International Terrestrial Reference Frame (ITRF2014). The efficiency of the proposed algorithm was tested on the simulated incomplete time series, then CME was estimated for a set of 25 stations located in Central Europe. The newly applied pPCA was compared with previously used algorithms, which showed that this method is capable of resolving the problem of proper spatio-temporal filtering of GNSS time series characterized by different observation time span. We showed, that filtering can be carried out with pPCA method when there exist two time series in the dataset having less than 100 common epoch of observations. The 1st Principal Component (PC) explained more than 36% of the total variance represented by time series residuals' (series with deterministic model removed), what compared to the other PCs variances (less than 8%) means that common signals are significant in GNSS residuals. A clear improvement in the spectral indices of the power-law noise was noticed for the Up component, which is reflected by an average shift towards white noise from - 0.98 to - 0.67 (30%). We observed a significant average reduction in the accuracy of stations' velocity estimated for filtered residuals by 35, 28 and 69% for the North, East, and Up components, respectively. CME series were also subjected to analysis in the context of environmental mass loading influences of the filtering results. Subtraction of the environmental loading models from GNSS residuals provides to reduction of the estimated CME variance by 20 and 65% for horizontal and vertical components, respectively.

Patchy proteins, anions and the Hofmeister series

Energy Technology Data Exchange (ETDEWEB)

Lund, Mikael; Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo namesti 2, 16610 Prague 6 (Czech Republic); Center for Complex Molecular Systems and Biomolecules, Flemingovo namesti 2, 16610 Prague 6 (Czech Republic)], E-mail: mikael.lund@uochb.cas.cz

2008-12-10

We investigate specific anion binding to a range of patchy protein models and use our results to probe protein-protein interactions for aqueous lysozyme solutions. Our molecular simulation studies show that the ion-protein interaction mechanism and strength largely depend on the nature of the interfacial amino acid residues. Via direct ion pairing, small anions interact with charged side-chains while larger anions are attracted to non-polar residues due to several solvent assisted mechanisms. Incorporating ion and surface specificity into a mesoscopic model for protein-protein interactions we calculate the free energy of interaction between lysozyme molecules in aqueous solutions of sodium chloride and sodium iodide. In agreement with experiment, our finding is that 'salting out' follows the reverse Hofmeister series for pH below the iso-electric point and the direct series for pH above pI.

Micellar effect on metal-ligand complexes of Co(II, Ni(II, Cu(II and Zn(II with citric acid

Directory of Open Access Journals (Sweden)

Nageswara Rao Gollapalli

2009-12-01

Full Text Available Chemical speciation of citric acid complexes of Co(II, Ni(II, Cu(II and Zn(II was investigated pH-metrically in 0.0-2.5% anionic, cationic and neutral micellar media. The primary alkalimetric data were pruned with SCPHD program. The existence of different binary species was established from modeling studies using the computer program MINIQUAD75. Alkalimetric titrations were carried out in different relative concentrations (M:L:X = 1:2:5, 1:3:5, 1:5:3 of metal (M to citric acid. The selection of best chemical models was based on statistical parameters and residual analysis. The species detected were MLH, ML2, ML2H and ML2H2. The trend in variation of stability constants with change in mole fraction of the medium is explained on the basis of electrostatic and non-electrostatic forces. Distributions of the species with pH at different compositions of micellar media are also presented.

Coping with residual stresses in the integrity assessment of an as-welded repair

International Nuclear Information System (INIS)

Knee, N.

1989-11-01

One of a series of large scale tests on pressure vessels is described, in which a defect was deliberately introduced into an as-welded (i.e. not stress relieved) repair weld. The behaviour of the vessel during pressurization to failure was carefully monitored and the actual performance compared with theoretical predictions. The influence of residual welding stresses on ductile crack growth from pre-existing defects is discussed in the light of the results of this test and of previous tests in the series. The tests have confirmed that residual stresses can exert a significant effect on the growth of fatigue cracks. However, in tests for which the failure mechanism is predominantly controlled by collapse of the remaining ligament, the development of plasticity during pressurization to failure will tend to remove any local residual stresses. (author)

The critical main-chain length for helix formation in water: determined in a peptide series with alternating Aib and Ala residues exclusively and detected with ECD spectroscopy.

Science.gov (United States)

Longo, Edoardo; Moretto, Alessandro; Formaggio, Fernando; Toniolo, Claudio

2011-10-01

Critical main-chain length for peptide helix formation in the crystal (solid) state and in organic solvents has been already reported. In this short communication, we describe our results aiming at assessing the aforementioned parameter in water solution. To this goal, we synthesized step-by-step by solution procedures a complete series of N-terminally acetylated, C-terminally methoxylated oligopeptides, characterized only by alternating Aib and Ala residues, from the dimer to the nonamer level. All these compounds were investigated by electronic circular dichroism in the far-UV region in water solution as a function of chemical structure, namely presence/absence of an ester moiety or a negative charge at the C-terminus, and temperature. We find that the critical main-chain lengths for 3(10)- and α-helices, although still formed to a limited extent, in aqueous solution are six and eight residues, respectively. © 2011 Wiley-Liss, Inc.

Effects of Adopting Different Kinds of Collecting Method for Years on Film Residual Coefficient and Maize Yields

OpenAIRE

TANG Wen-xue; MA Zhong-ming; WEI Tao

2017-01-01

Wide usage of mulching technology has increased crop yields, but the large amounts of mulching film residue resulting from widespread use of plastic film in China has brought about a series of pollution hazards. Based on a 4-year (2011-2014) long-term experiment, the effects of different kinds of collecting mothod (zero plastic film residues, conventional plastic film residues, whole plastic film residues remainded) on plastic film residues, residual coefficient and maize yield were explored....

Residues from waste incineration. Final report. Rev. ed.

Energy Technology Data Exchange (ETDEWEB)

Astrup, T.; Juul Pedersen, A.; Hyks, J.; Frandsen, F.J.

2010-04-15

The overall objective of the project was to improve the understanding of the formation and characteristics of residues from waste incineration. This was done focusing on the importance of the waste input and the operational conditions of the furnace. Data and results obtained from the project have been discussed in this report according to the following three overall parts: i) mass flows and element distribution, ii) flue gas/particle partitioning and corrosion/deposition aspects, and iii) residue leaching. This has been done with the intent of structuring the discussion while tacitly acknowledging that these aspects are interrelated and cannot be separated. Overall, it was found that the waste input composition had significant impact of the characteristics of the generated residues. A similar correlation between operational conditions and residue characteristics could not be observed. Consequently, the project recommend that optimization of residue quality should focus on controlling the waste input composition. The project results showed that including specific waste materials (and thereby also excluding the same materials) may have significant effects on the residue composition, residue leaching, aerosol and deposit formation.It is specifically recommended to minimize Cl in the input waste. Based on the project results, it was found that a significant potential for optimization of waste incineration exist. (Author)

Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

International Nuclear Information System (INIS)

Masuda, Tetsuya; Ohta, Keisuke; Tani, Fumito; Mikami, Bunzo; Kitabatake, Naofumi

2011-01-01

Highlights: → X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. → The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. → The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. → The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

Energy Technology Data Exchange (ETDEWEB)

Masuda, Tetsuya, E-mail: t2masuda@kais.kyoto-u.ac.jp [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ohta, Keisuke; Tani, Fumito [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Mikami, Bunzo [Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Kitabatake, Naofumi [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan)

2011-07-08

Highlights: {yields} X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. {yields} The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. {yields} The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. {yields} The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

Agrochemicals and Residues Newsletter. No. 6

International Nuclear Information System (INIS)

1991-09-01

This newsletter provides very brief summaries of the current coordinated research programs and of the completed coordinated research program on the study of the biological activity and bioavailability of bound pesticide residues using nuclear techniques (a more complete report will be published in the IAEA Panel Proceedings series). Research in progress at the Agrochemicals Unit of the IAEA Laboratory in Seibersdorf is also described

Overlapping Residual Herbicides for Control of Photosystem (PS) II- and 4-Hydroxyphenylpyruvate Dioxygenase (HPPD)-Inhibitor-Resistant Palmer amaranth (Amaranthus palmeri S. Watson) in Glyphosate-Resistant Maize

Science.gov (United States)

Chahal, Parminder S.; Ganie, Zahoor A.; Jhala, Amit J.

2018-01-01

A Palmer amaranth (Amaranthus palmeri S. Watson) biotype has evolved resistance to photosystem (PS) II- (atrazine) and 4-hydroxyphenylpyruvate dioxygenase (HPPD)-inhibiting herbicides (mesotrione, tembotrione, and topramezone) in maize seed production field in Nebraska, USA. The objectives of this study were to determine the effect of soil residual pre-emergence (PRE) herbicides followed by (fb) tank-mixture of residual and foliar active post-emergence (POST) herbicides on PS-II- and HPPD-inhibitor-resistant Palmer amaranth control, maize yield, and net economic returns. Field experiments were conducted in a grower's field infested with PS II- and HPPD-inhibitor-resistant Palmer amaranth near Shickley in Fillmore County, Nebraska, USA in 2015 and 2016. The contrast analysis suggested that saflufenacil plus dimethenamid-P or pyroxasulfone plus saflufenacil applied PRE provided 80–82% Palmer amaranth control compared to 65 and 39% control with saflufenacil and pyroxasulfone applied alone at 3 weeks after PRE (WAPRE), respectively. Among the PRE fb POST herbicide programs, 95–98% Palmer amaranth control was achieved with pyroxasulfone plus safluefenacil, or saflufenacil plus dimethenamid-P applied PRE, fb glyphosate plus topramezone plus dimethenamid-P plus atrazine, glyphosate plus diflufenzopyr plus dicamba plus pyroxasulfone, glyphosate plus diflufenzopyr plus pendimethalin, or glyphosate plus diflufenzopyr plus dicamba plus atrazine applied POST at 3 weeks after POST (WAPOST) through maize harvest. Based on contrast analysis, PRE fb POST programs provided 77–83% Palmer amaranth control at 3 WAPOST through maize harvest compared to 12–15% control with PRE-only and 66–84% control with POST-only programs. Similarly, PRE fb POST programs provided 99% biomass reduction at 6 WAPOST compared to PRE-only (28%) and POST-only (87%) programs. PRE fb POST programs provided higher maize yield (13,617 kg ha−1) and net return (US $1,724 ha−1) compared to the PRE

Prevalence of antimicrobial residues in eggs, tissue and feed samples in the State of Kuwait

International Nuclear Information System (INIS)

Alomirah, H.; Al-Mazeedi, H.; Al-Zenki, S.; Al-Faili, B.; Al-Foudary, M.; Abuzid, A.; Al-Sayed, I.; Sidhu, J.

2007-01-01

A total of 238 locally produced and imported eggs, tissue (meat, poultry and aquacultured fish) and feed and feedstuffs samples were collected at different seasonal periods from different farms and retail outlets in Kuwait and screened for presence of beta-lactams, tetracyclines, sulfonamides, streptomycin, macrolides and chloramphenicol (799 tests) using Charm II system. The results indicated that all of the 222 tests performed on table egg samples were negative for the analyzed antimicrobial residues indicating adherence to the guidelines for microbial use and withdrawal. Similarly, all of the 268 tests performed on tissue samples were negative for the analyzed antimicrobial residues except for chloramphenicol. These chloramphenicol positive samples, all of the 66 tests performed were negative for beta-lactams residues. Out of the 79 feed and feedstuff samples analyzed for teracyclines residues, broiler diet and concentrate samples (5%) were above the tetracyclines MRL (100 ppb.). On the other hands, results have revealed a widespread of sulfonamide residues and to a less extent chloramphenicol in tested feed and feedstuff samples. The Charm II system was reliable for rapid screening of antimicrobial residues. In general, results obtained in our study necessitate more effective and well planned national antimicrobial residues surveillance programs focusing particularly on samples imported from highly risk sources. (author)

Summable series and convergence factors

CERN Document Server

Moore, Charles N

1938-01-01

Fairly early in the development of the theory of summability of divergent series, the concept of convergence factors was recognized as of fundamental importance in the subject. One of the pioneers in this field was C. N. Moore, the author of the book under review.... Moore classifies convergence factors into two types. In type I he places the factors which have only the property that they preserve convergence for a convergent series or produce convergence for a summable series. In type II he places the factors which not only maintain or produce convergence but have the additional property that

Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

Science.gov (United States)

Vieru, Veacheslav; Pasatoiu, Traian D; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F

2016-12-05

The polynuclear compounds containing anisotropic metal ions often exhibit efficient barriers for blocking of magnetization at fairly arbitrary geometries. However, at variance with mononuclear complexes, which usually become single-molecule magnets (SMM) under the sole requirement of a highly axial crystal field at the metal ion, the factors influencing the SMM behavior in polynuclear complexes, especially, with weakly axial magnetic ions, still remain largely unrevealed. As an attempt to clarify these conditions, we present here the synthesis, crystal structures, magnetic behavior, and ab initio calculations for a new series of Ni II -Ln III -W V trimetallics, [(CN) 7 W(CN)Ni(H 2 O)(valpn)Ln(H 2 O) 4 ]·H 2 O (Ln = Y 1, Eu 2, Gd 3, Tb 4, Dy 5, Lu 6). The surprising finding is the absence of the magnetic blockage even for compounds involving strongly anisotropic Dy III and Tb III metal ions. This is well explained by ab initio calculations showing relatively large transversal components of the g-tensor in the ground exchange Kramers doublets of 1 and 4 and large intrinsic tunneling gaps in the ground exchange doublets of 3 and 5. In order to get more insight into this behavior, another series of earlier reported compounds with the same trinuclear [W V Ni II Ln III ] core structure, [(CN) 7 W(CN)Ni(dmf)(valdmpn)Ln(dmf) 4 ]·H 2 O (Ln = Gd III 7, Tb III 8a, Dy III 9, Ho III 10), [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Tb(dmf) 2.5 (H 2 O) 1.5 ]·H 2 O·0.5dmf 8b, and [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Er(dmf) 3 (H 2 O) 1 ]·H 2 O·0.5dmf 11, has been also investigated theoretically. In this series, only 8b exhibits SMM behavior which is confirmed by the present ab initio calculations. An important feature for the entire series is the strong ferromagnetic coupling between Ni(II) and W(V), which is due to an almost perfect trigonal dodecahedron geometry of the octacyano wolframate fragment. The reason why only 8b is an SMM is explained by positive zero-field splitting on the nickel

Pesticide residue quantification analysis by hyperspectral imaging sensors

Science.gov (United States)

Liao, Yuan-Hsun; Lo, Wei-Sheng; Guo, Horng-Yuh; Kao, Ching-Hua; Chou, Tau-Meu; Chen, Junne-Jih; Wen, Chia-Hsien; Lin, Chinsu; Chen, Hsian-Min; Ouyang, Yen-Chieh; Wu, Chao-Cheng; Chen, Shih-Yu; Chang, Chein-I.

2015-05-01

Pesticide residue detection in agriculture crops is a challenging issue and is even more difficult to quantify pesticide residue resident in agriculture produces and fruits. This paper conducts a series of base-line experiments which are particularly designed for three specific pesticides commonly used in Taiwan. The materials used for experiments are single leaves of vegetable produces which are being contaminated by various amount of concentration of pesticides. Two sensors are used to collected data. One is Fourier Transform Infrared (FTIR) spectroscopy. The other is a hyperspectral sensor, called Geophysical and Environmental Research (GER) 2600 spectroradiometer which is a batteryoperated field portable spectroradiometer with full real-time data acquisition from 350 nm to 2500 nm. In order to quantify data with different levels of pesticide residue concentration, several measures for spectral discrimination are developed. Mores specifically, new measures for calculating relative power between two sensors are particularly designed to be able to evaluate effectiveness of each of sensors in quantifying the used pesticide residues. The experimental results show that the GER is a better sensor than FTIR in the sense of pesticide residue quantification.

Costationarity of Locally Stationary Time Series Using costat

OpenAIRE

Cardinali, Alessandro; Nason, Guy P.

2013-01-01

This article describes the R package costat. This package enables a user to (i) perform a test for time series stationarity; (ii) compute and plot time-localized autocovariances, and (iii) to determine and explore any costationary relationship between two locally stationary time series. Two locally stationary time series are said to be costationary if there exists two time-varying combination functions such that the linear combination of the two series with the functions produces another time...

TCR-contacting residues orientation and HLA-DRβ* binding preference determine long-lasting protective immunity against malaria

International Nuclear Information System (INIS)

Alba, Martha P.; Suarez, Carlos F.; Varela, Yahson; Patarroyo, Manuel A.; Bermudez, Adriana; Patarroyo, Manuel E.

2016-01-01

Fully-protective, long-lasting, immunological (FPLLI) memory against Plasmodium falciparum malaria regarding immune protection-inducing protein structures (IMPIPS) vaccinated into monkeys previously challenged and re-challenged 60 days later with a lethal Aotus monkey-adapted P. falciparum strain was found to be associated with preferential high binding capacity to HLA-DRβ1* allelic molecules of the major histocompatibility class II (MHC-II), rather than HLA-DRβ3*, β4*, β5* alleles. Complete PPII L 3D structure, a longer distance (26.5 Å ± 1.5 Å) between residues perfectly fitting into HLA-DRβ1*PBR pockets 1 and 9, a gauche − rotamer orientation in p8 TCR-contacting polar residue and a larger volume of polar p2 residues was also found. This data, in association with previously-described p3 and p7 apolar residues having gauche + orientation to form a perfect MHC-II-peptide-TCR complex, determines the stereo-electronic and topochemical characteristics associated with FPLLI immunological memory. - Highlights: • Stereo-electronic and topochemical rules associated with FPLLI immunological memory. • Presence of very high long-lasting antibody titres against Plasmodium falciparum Spz. • Protective memory induction associated with a binding capacity to HLA-DRβ1*. • gauche − rotamer orientation in p8 polar residue is related to is related to immunological memory.

TCR-contacting residues orientation and HLA-DRβ* binding preference determine long-lasting protective immunity against malaria

Energy Technology Data Exchange (ETDEWEB)

Alba, Martha P.; Suarez, Carlos F. [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad del Rosario, Bogotá D. C. (Colombia); Universidad de Ciencias Aplicadas y Ambientales (UDCA), Bogotá (Colombia); Varela, Yahson [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Patarroyo, Manuel A.; Bermudez, Adriana [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad del Rosario, Bogotá D. C. (Colombia); Patarroyo, Manuel E., E-mail: mepatarr@gmail.com [Fundación Instituto de Inmunología de Colombia (FIDIC), Bogotá D. C. (Colombia); Universidad Nacional de Colombia, Bogotá D. C. (Colombia)

2016-09-02

Fully-protective, long-lasting, immunological (FPLLI) memory against Plasmodium falciparum malaria regarding immune protection-inducing protein structures (IMPIPS) vaccinated into monkeys previously challenged and re-challenged 60 days later with a lethal Aotus monkey-adapted P. falciparum strain was found to be associated with preferential high binding capacity to HLA-DRβ1* allelic molecules of the major histocompatibility class II (MHC-II), rather than HLA-DRβ3*, β4*, β5* alleles. Complete PPII{sub L} 3D structure, a longer distance (26.5 Å ± 1.5 Å) between residues perfectly fitting into HLA-DRβ1*PBR pockets 1 and 9, a gauche{sup −} rotamer orientation in p8 TCR-contacting polar residue and a larger volume of polar p2 residues was also found. This data, in association with previously-described p3 and p7 apolar residues having gauche{sup +} orientation to form a perfect MHC-II-peptide-TCR complex, determines the stereo-electronic and topochemical characteristics associated with FPLLI immunological memory. - Highlights: • Stereo-electronic and topochemical rules associated with FPLLI immunological memory. • Presence of very high long-lasting antibody titres against Plasmodium falciparum Spz. • Protective memory induction associated with a binding capacity to HLA-DRβ1*. • gauche{sup −} rotamer orientation in p8 polar residue is related to is related to immunological memory.

Vision restoration after brain and retina damage: the "residual vision activation theory".

Science.gov (United States)

Sabel, Bernhard A; Henrich-Noack, Petra; Fedorov, Anton; Gall, Carolin

2011-01-01

Vision loss after retinal or cerebral visual injury (CVI) was long considered to be irreversible. However, there is considerable potential for vision restoration and recovery even in adulthood. Here, we propose the "residual vision activation theory" of how visual functions can be reactivated and restored. CVI is usually not complete, but some structures are typically spared by the damage. They include (i) areas of partial damage at the visual field border, (ii) "islands" of surviving tissue inside the blind field, (iii) extrastriate pathways unaffected by the damage, and (iv) downstream, higher-level neuronal networks. However, residual structures have a triple handicap to be fully functional: (i) fewer neurons, (ii) lack of sufficient attentional resources because of the dominant intact hemisphere caused by excitation/inhibition dysbalance, and (iii) disturbance in their temporal processing. Because of this resulting activation loss, residual structures are unable to contribute much to everyday vision, and their "non-use" further impairs synaptic strength. However, residual structures can be reactivated by engaging them in repetitive stimulation by different means: (i) visual experience, (ii) visual training, or (iii) noninvasive electrical brain current stimulation. These methods lead to strengthening of synaptic transmission and synchronization of partially damaged structures (within-systems plasticity) and downstream neuronal networks (network plasticity). Just as in normal perceptual learning, synaptic plasticity can improve vision and lead to vision restoration. This can be induced at any time after the lesion, at all ages and in all types of visual field impairments after retinal or brain damage (stroke, neurotrauma, glaucoma, amblyopia, age-related macular degeneration). If and to what extent vision restoration can be achieved is a function of the amount of residual tissue and its activation state. However, sustained improvements require repetitive

A series of nickel(II complexes derived from hydrazide derivatives, electrochemical, thermal and spectral studies

Directory of Open Access Journals (Sweden)

Gamil A.A. Al-Hazmi

2017-02-01

Full Text Available A series of Ni(II–hydrazide complexes were prepared using derivatives of hydrazide ligands. The variation of organic ligand elaborates the mode of coordination of the organic compound referring to the addition of coordinating sites besides the NH–NH–CO group. The octahedral configuration is the major form proposed with most isolated complexes. Mass spectra were used to assure the molecular formula proposed based on the elemental analysis data for most investigated compounds. Thermal analysis as well as kinetic data supports the formula of all investigated complexes especially the presence of coordinating water molecules with most of them. Electrochemical measurements assert the stability of Ni(II oxidation state during the complexation which may be affected during the coordination reaction. pH metric studies as well as the molecular modeling optimization reflect a shadow on the stability of the isolated complexes in solution or in solid state, respectively.

Gene Expression Profile in the Early Stage of Angiotensin II-induced Cardiac Remodeling: a Time Series Microarray Study in a Mouse Model

Directory of Open Access Journals (Sweden)

Meng-Qiu Dang

2015-01-01

Full Text Available Background/Aims: Angiotensin II (Ang II plays a critical role in the cardiac remodeling contributing to heart failure. However, the gene expression profiles induced by Ang II in the early stage of cardiac remodeling remain unknown. Methods: Wild-type male mice (C57BL/6 background, 10-weeek-old were infused with Ang II (1500 ng/kg/min for 7 days. Blood pressure was measured. Cardiac function and remodeling were examined by echocardiography, H&E and Masson staining. The time series microarrays were then conducted to detected gene expression profiles. Results: Microarray results identified that 1,489 genes were differentially expressed in the hearts at day 1, 3 and 7 of Ang II injection. These genes were further classified into 26 profiles by hierarchical cluster analysis. Of them, 4 profiles were significant (No. 19, 8, 21 and 22 and contained 904 genes. Gene Ontology showed that these genes mainly participate in metabolic process, oxidation-reduction process, extracellular matrix organization, apoptotic process, immune response, and others. Significant pathways included focal adhesion, ECM-receptor interaction, cytokine-cytokine receptor interaction, MAPK and insulin signaling pathways, which were known to play important roles in Ang II-induced cardiac remodeling. Moreover, gene co-expression networks analysis suggested that serine/cysteine peptidase inhibitor, member 1 (Serpine1, also known as PAI-1 localized in the core of the network. Conclusions: Our results indicate that many genes are mainly involved in metabolism, inflammation, cardiac fibrosis and hypertrophy. Serpine1 may play a central role in the development of Ang II-induced cardiac remodeling at the early stage.

[Percutaneous closure of the patent ductus arteriosus in children with the Amplatzer Duct Occluder II].

Science.gov (United States)

Parra-Bravo, José Rafael; Osuna-Izaguirre, Manuel Alfredo; Beirana-Palencia, Luisa; Gálvez-Cancino, Franco; Martínez-Monterrosas, Christian; Lazo-Cárdenas, César; Reyes-Vargas, César

2014-01-01

In the last decades, several devices have been used for the percutaneous closure of patent ductus arteriosus, with its own limitations and risks. The Amplatzer Duct Occluder II has been designed to overcome those limitations and reduce risks. We described our initial series of patients who underwent percutaneous closure of patent ductus arteriosus with the Amplatzer Duct Occluder II, emphasis on the technical aspects of the procedure. We reviewed the clinical records of 9 patients with patent ductus arteriosus who underwent percutaneous closure with the Amplatzer Duct Occluder II. Median age was 24 months (range 8-51 months) and the median weight was 10.7kg (range 6-16.3kg). The minimal ductus arteriosus diameter was 2.7mm (1-5mm). Implantation was successful in all cases. The devices most commonly used (33.3%) were the dimensions 4-4mm (3 patients), in 2 patients were used 3-4mm and in the rest of the patients were employed occluder other sizes. Four cases showed slight residual flow immediately after implantation. Total closure was achieved in 24h in 8 of 9 patients (89%). There was no embolization of the occluder or deaths during the procedure and we only observed one minor complication. The Amplatzer Duct Occluder II in this series was effective in 89% of the patients at 24hs after the procedure and 100% follow-up. The implantation was safe and no major complications were observed. The occlusion rate is comparable to those reported for the Amplatzer Duct Occluder I. Copyright © 2013 Instituto Nacional de Cardiología Ignacio Chávez. Published by Masson Doyma México S.A. All rights reserved.

Patch testing with hair cosmetic series in Europe

DEFF Research Database (Denmark)

Uter, Wolfgang; Bensefa-Colas, Lynda; Frosch, Peter

2015-01-01

Many key ingredients of hair cosmetics (in particular, dyes, bleaches, and hair-styling agents) are potent (strong to extreme) contact allergens. Some heterogeneity is apparent from published results concerning the range of allergens for which patch testing is important. The objective...... of the present review was to collect information on the current practice of using 'hair cosmetic series', and discuss this against the background of evidence concerning consumer/professional exposure and regulatory aspects to finally derive a recommendation for a 'European hair cosmetic series'. The methods...... (Annex II of the Cosmetics Regulation). An up-to-date 'European hair cosmetics series', as recommended in the present article, should (i) include broadly used and/or potent contact allergens, (ii) eliminate substances of only historical concern, and (iii) be continually updated as new evidence emerges....

Testing in support of transportation of residues in the pipe overpack container

International Nuclear Information System (INIS)

Ammerman, D.J.; Bobbe, J.G.; Arviso, M.; Bronowski, D.R.

1997-04-01

The disposition of the large back-log of plutonium residues at the Rocky Flats Environmental Technology Site (Rocky Flats) will require interim storage and subsequent shipment to a waste repository. Current plants call for disposal at the Waste Isolation Pilot Plant (WIPP) and the transportation to WIPP in the TRUPACT-II. The transportation phase will require the residues to be packaged in a container that is more robust than a standard 55-gallon waste drum. Rocky Flats has designed the Pipe Overpack Container to meet this need. The tests described here were performed to qualify the Pipe Overpack Container as a waste container for shipment in the TRUPACT-II. Using a more robust container will assure the fissile materials in each container can not be mixed with the fissile material from the other containers and will provide criticality control. This will allow an increase in the payload of the TRUPACT-II from 325 fissile gram equivalents to 2,800 fissile gram equivalents

Plasma opening switch experiments on the Particle Beam Accelerator II

International Nuclear Information System (INIS)

Sweeney, M.A.; McDaniel, D.H.; Mendel, C.W.; Rochau, G.E.; Moore, W.B.S.; Mowrer, G.R.; Simpson, W.W.; Zagar, D.M.; Grasser, T.; McDougal, C.D.

1989-01-01

Plasma opening switch (POS) experiments have been done since 1986 on the PBFA-II ion beam accelerator to develop a rugged POS that will open rapidly ( 80%) into a high impedance (> 10 ohm) load. In a recent series of experiments on PBFA II, the authors have developed and tested three different switch designs that use magnetic fields to control and confine the injected plasma. All three configurations couple current efficiently to a 5-ohm electron beam diode. In this experimental series, the PBFA-II Delta Series, more extensive diagnostics were used than in previous switch experiments on PBFA II or on the Blackjack 5 accelerator at Maxwell Laboratories. Data from the experiments with these three switch designs is presented

Fundamentals of a moderate thermocracking-deep deasphalting combined process of Karamay vacuum residue

Energy Technology Data Exchange (ETDEWEB)

Zhiming, X; Tonghua, L.; Suogi, Z.; Renan, W. [University of Petroleum, State Key Laboratory of Heavy Oil Processing, Beijing (China); Lailong, L.; Zhen, L. [Karamay Petrochemical Company, Petrochemical Research Institute, Karamay (China)

2004-07-01

Thermocracking of heavy oil vacuum residue was carried out to determine the optimum conditions for the thermal cracking of Karamay vacuum residue prior to coke formation. The vacuum residue and the cracked residue after distillation were separated using supercritical fluid extraction and fractionation techniques. Sixteen and thirteen fractions and non-extractable end cuts respectively were separated, and their properties, compositions and average structures determined. Solubility parameters of the end cuts were measured, and those of the fractions calculated. The solubility parameter of the end cut of distilled residue was found to have greatly increased. It was determined that when the difference of the end cut and the extractable fractions amounts to 6.37MPa1/2, in the case of Karamay vacuum residue coke will deposit under thermocracking conditions. Based on the results of a series of solvent deep deasphalting experiments, a scheme for vacuum residue thermocracking and deasphalting of the cracked residue was proposed.

Geochemical modeling of leaching from MSWI air-pollution control residues

NARCIS (Netherlands)

Astrup, T.; Dijkstra, J.J.; Comans, R.N.J.; Sloot, van der H.A.; Christensen, T.H.

2006-01-01

This paper provides an improved understanding of the leaching behavior of waste incineration air-pollution-control (APC) residues in a long-term perspective. Leaching was investigated by a series of batch experiments reflecting leaching conditions after initial washout of highly soluble salts from

TAF(II)170 interacts with the concave surface of TATA-binding protein to inhibit its DNA binding activity.

Science.gov (United States)

Pereira, L A; van der Knaap, J A; van den Boom, V; van den Heuvel, F A; Timmers, H T

2001-11-01

The human RNA polymerase II transcription factor B-TFIID consists of TATA-binding protein (TBP) and the TBP-associated factor (TAF) TAF(II)170 and can rapidly redistribute over promoter DNA. Here we report the identification of human TBP-binding regions in human TAF(II)170. We have defined the TBP interaction domain of TAF(II)170 within three amino-terminal regions: residues 2 to 137, 290 to 381, and 380 to 460. Each region contains a pair of Huntington-elongation-A subunit-Tor repeats and exhibits species-specific interactions with TBP family members. Remarkably, the altered-specificity TBP mutant (TBP(AS)) containing a triple mutation in the concave surface is defective for binding the TAF(II)170 amino-terminal region of residues 1 to 504. Furthermore, within this region the TAF(II)170 residues 290 to 381 can inhibit the interaction between Drosophila TAF(II)230 (residues 2 to 81) and TBP through competition for the concave surface of TBP. Biochemical analyses of TBP binding to the TATA box indicated that TAF(II)170 region 290-381 inhibits TBP-DNA complex formation. Importantly, the TBP(AS) mutant is less sensitive to TAF(II)170 inhibition. Collectively, our results support a mechanism in which TAF(II)170 induces high-mobility DNA binding by TBP through reversible interactions with its concave DNA binding surface.

Rare Earth Element Phases in Bauxite Residue

Directory of Open Access Journals (Sweden)

Johannes Vind

2018-02-01

Full Text Available The purpose of present work was to provide mineralogical insight into the rare earth element (REE phases in bauxite residue to improve REE recovering technologies. Experimental work was performed by electron probe microanalysis with energy dispersive as well as wavelength dispersive spectroscopy and transmission electron microscopy. REEs are found as discrete mineral particles in bauxite residue. Their sizes range from <1 μm to about 40 μm. In bauxite residue, the most abundant REE bearing phases are light REE (LREE ferrotitanates that form a solid solution between the phases with major compositions (REE,Ca,Na(Ti,FeO3 and (Ca,Na(Ti,FeO3. These are secondary phases formed during the Bayer process by an in-situ transformation of the precursor bauxite LREE phases. Compared to natural systems, the indicated solid solution resembles loparite-perovskite series. LREE particles often have a calcium ferrotitanate shell surrounding them that probably hinders their solubility. Minor amount of LREE carbonate and phosphate minerals as well as manganese-associated LREE phases are also present in bauxite residue. Heavy REEs occur in the same form as in bauxites, namely as yttrium phosphates. These results show that the Bayer process has an impact on the initial REE mineralogy contained in bauxite. Bauxite residue as well as selected bauxites are potentially good sources of REEs.

Non-enzymatic N-acetylation of Lysine Residues by AcetylCoA Often Occurs via a Proximal S-acetylated Thiol Intermediate Sensitive to Glyoxalase II.

Science.gov (United States)

James, Andrew M; Hoogewijs, Kurt; Logan, Angela; Hall, Andrew R; Ding, Shujing; Fearnley, Ian M; Murphy, Michael P

2017-02-28

Acetyl coenzyme A (AcCoA), a key intermediate in mitochondrial metabolism, N-acetylates lysine residues, disrupting and, in some cases, regulating protein function. The mitochondrial lysine deacetylase Sirtuin 3 (Sirt3) reverses this modification with benefits reported in diabetes, obesity, and aging. We show that non-enzymatic lysine N-acetylation by AcCoA is greatly enhanced by initial acetylation of a cysteine residue, followed by SN-transfer of the acetyl moiety to a nearby lysine on mitochondrial proteins and synthetic peptides. The frequent occurrence of an S-acetyl intermediate before lysine N-acetylation suggests that proximity to a thioester is a key determinant of lysine susceptibility to acetylation. The thioesterase glyoxalase II (Glo2) can limit protein S-acetylation, thereby preventing subsequent lysine N-acetylation. This suggests that the hitherto obscure role of Glo2 in mitochondria is to act upstream of Sirt3 in minimizing protein N-acetylation, thus limiting protein dysfunction when AcCoA accumulates. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Thermally induced transformations of iron oxide stabilised APC residues from waste incineration

DEFF Research Database (Denmark)

Sørensen, Mette Abildgaard; Koch, C.B.

2001-01-01

Air pollution control (APC) facilities at waste incinerator plants produce large quantities of solid residues rich in salts and heavy metals. Heavy metals are readily released to water from the residues and it has, therefore, been found suitable to apply a rapid co-precipitation/adsorption process...... as a means to immobilize the toxic elements. In the 'Ferrox process', this immobilization is based on co-precipitation with an Fe(III) oxide formed by oxidation of Fe(II) by air in an aqueous slurry with the APC residue at alkaline pH. In this work we have undertaken a Mossbauer spectroscopy study of the Fe...

Natural decay series radionuclide studies at the Needle's Eye Natural Analogue Site, II, 1989-1991

International Nuclear Information System (INIS)

MacKenzie, A.B.; Whitton, A.M.; Shimmield, T.M.; Jemielita, R.A.; Scott, R.D.; Hooker, P.J.

1991-12-01

HMIP has a research programme investigating some naturally radioactive sites as geochemical analogues of radionuclide migration. The objective is to test thermodynamic databases and computer codes used for modelling radionuclide migration under environmental conditions. This report describes the study of transport and retardation processes affecting natural radionuclides, mainly uranium (U), in the vicinity of pitchblende veins in the cliff at Needle's Eye on the Solway Coast, SW Scotland. The natural decay series results from this study have been used to develop a well constrained geochemical model within which the codes can be tested. A conceptual geochemical model for the behaviour of U at the site was developed in stage I of the study; work in stage II is concerned with improving the information available on the U source term, groundwater chemistry, U aqueous phase specification, U retardation by fracture-lining minerals during fissure flow of groundwater, U-organic associations and loss of U from the site by stream drainage. (author)

Neutron measurement of residual stresses in a used railway rail

International Nuclear Information System (INIS)

Webster, P.J.; Low, K.S.; Mills, G.; Webster, G.A.

1990-01-01

The high resolution neutron diffraction technique has been applied to determine, non-destructively, the residual stress distribution developed in the head of a railway rail after normal service. Measurements were made, using the neutron strain scanner at the Institute Laue Langevin, Grenoble, on a transverse slice of rail 12mm thick taken from a section of straight track. The rail head was scanned in the three principal orientations in a series of parallel traverses sufficiently close to enable a two-dimensional matrix of data to be accumulated and vertical, transverse and longitudinal residual stress contours to be drawn. The results demonstrate the effectiveness and unique characteristics of the neutron technique to determine nondestructively and continuously the residual stresses inside engineering components

Two residues determine the product profile of the class II diterpene synthases TPS14 and TPS21 of Tripterygium wilfordii

DEFF Research Database (Denmark)

Hansen, Nikolaj Lervad; Nissen, Jakob N.; Hamberger, Björn Robert

2017-01-01

residue gave mixed product profiles. Two mutants, TwTPS14:Y265H and TwTPS21:A325V, also produced ent-copalyl diphosphate, highlighting the evolutionary potential of enzymes of this family to drive rapid diversification of plant diterpene biosynthesis through neo-functionalization. Our study contributes......The medicinal plant Tripterygium wilfordii (Celastraceae) contains a pair of class II diterpene synthases (diTPS) of specialized labdane-type metabolism that, despite remarkably close homology, form strikingly different products. TwTPS21 catalyzes bicyclization of the linear C20 precursor......-directed mutagenesis, we generated a panel of six variants, where one, or both positions were exchanged between the enzymes. In coupled heterologous assays with a corresponding class I diTPS, TwTPS2, complete product interchange was observed in variants with both reciprocal mutations, while substitutions of either...

Divergent series, summability and resurgence II simple and multiple summability

CERN Document Server

Loday-Richaud, Michèle

2016-01-01

Addressing the question how to “sum” a power series in one variable when it diverges, that is, how to attach to it analytic functions, the volume gives answers by presenting and comparing the various theories of k-summability and multisummability. These theories apply in particular to all solutions of ordinary differential equations. The volume includes applications, examples and revisits, from a cohomological point of view, the group of tangent-to-identity germs of diffeomorphisms of C studied in volume 1. With a view to applying the theories to solutions of differential equations, a detailed survey of linear ordinary differential equations is provided which includes Gevrey asymptotic expansions, Newton polygons, index theorems and Sibuya’s proof of the meromorphic classification theorem that characterizes the Stokes phenomenon for linear differential equations. This volume is the second of a series of three entitled Divergent Series, Summability and Resurgence. It is aimed at graduate students and res...

Leaching from municipal solid waste incineration residues

Energy Technology Data Exchange (ETDEWEB)

Hyks, J.

2008-02-15

Leaching of pollutants from Municipal Solid Waste Incineration (MSWI) residues has been investigated combining a range of laboratory leaching experiments with geochemical modeling. Special attention was paid to assessing the applicability of laboratory data for subsequent modeling with respect to presumed full-scale conditions; both sample pretreatment and actual influence of leaching conditions on the results of laboratory experiments were considered. It was shown that sample pretreatment may have large impact on leaching test data. In particular, a significant fraction of Pb was shown mobile during the washing of residues with water. In addition, drying of residues (i.e. slow oxidation) prior to leaching experiments increased the leaching of Cr significantly. Significant differences regarding the leaching behavior of individual elements with respect to (non)equilibrium conditions in column percolation experiments were observed in the study. As a result, three groups of elements were identified based on the predominant leaching control and the influence of (non)equilibrium on the results of the laboratory column experiments: I. Predominantly availability-controlled elements (e.g. Na, K, Cl) II. Solubility-controlled elements (e.g. Ca, S, Si, Al, Ba, and Zn) III. Complexation-controlled elements (e.g. Cu and Ni) With respect to the above groups it was suggested that results of laboratory column experiments can, with consideration, be used to estimate full-scale leaching of elements from Group I and II. However, in order to avoid large underestimations in the assessment of leaching from Group III, it is imperative to describe the time-dependent transport of dissolved organic carbon (DOC) in the tested system or to minimize the physical non-equilibrium during laboratory experiments (e.g. bigger column, slower flow velocity). Forward geochemical modeling was applied to simulate long-term release of elements from a MSWI air-pollution-control residue. Leaching of a

Some Characteristics Of the Financial Data Series

Directory of Open Access Journals (Sweden)

Gheorghe Săvoiu

2013-05-01

Full Text Available This paper attempts to delineate from a theoretical of view the financial data series relative to other statistical data, starting from the financial econometrics’ models and from the resulting features of the specific descriptive statistics’ analysis of these characteristic series. From the analysis of these financial data during either very short and short or medium periods of time or from the information provided by the website of the Bucharest Stock Exchange (BVB, the trend of great values of kurtosis or eccentricity and skewness or asymmetry of series appears as a characteristic tendency. During a long period of time, between 1920 and 2008, this tendency seems to be more relevant, being confirmed by an excerpt from the author’s earlier paper written in 2009, concerning the statistical Dow Jones Industrial Average Index (DJIA Index. The skewness, kurtosis and normality of data distribution analysis, using Jarque Bera test, along with the identification of residual autocorrelation or serial correlation in the presence of significant residual values and heteroskedasticity are the major evaluated aspects. Finally, the author investigates the optimal way to ensure statistical comparability inflationary and deflationary method for financial series of data, and offers a solution to the selection of the appropriate indicator from the categories of the absolute values, absolute variation of the absolute values and the relative variation of the absolute values, expressed by percentages, with the finding of the latter alternative as the best alternative in the world of financial modelling of the economic and financial processes and phenomena.

New applications of partial residual methodology

International Nuclear Information System (INIS)

Uslu, V.R.

1999-12-01

The formulation of a problem of interest in the framework of a statistical analysis starts with collecting the data, choosing a model, making certain assumptions as described in the basic paradigm by Box (1980). This stage is is called model building. Then the estimation stage is in order by pretending as if the formulation of the problem was true to obtain estimates, to make tests and inferences. In the final stage, called diagnostic checking, checking of whether there are some disagreements between the data and the model fitted is done by using diagnostic measures and diagnostic plots. It is well known that statistical methods perform best under the condition that all assumptions related to the methods are satisfied. However it is true that having the ideal case in practice is very difficult. Diagnostics are therefore becoming important so are diagnostic plots because they provide a immediate assessment. Partial residual plots that are the main interest of the present study are playing the major role among the diagnostic plots in multiple regression analysis. In statistical literature it is admitted that partial residual plots are more useful than ordinary residual plots in detecting outliers, nonconstant variance, and especially discovering curvatures. In this study we consider the partial residual methodology in statistical methods rather than multiple regression. We have shown that for the same purpose as in the multiple regression the use of partial residual plots is possible particularly in autoregressive time series models, transfer function models, linear mixed models and ridge regression. (author)

Quantification of Drive-Response Relationships Between Residues During Protein Folding.

Science.gov (United States)

Qi, Yifei; Im, Wonpil

2013-08-13

Mutual correlation and cooperativity are commonly used to describe residue-residue interactions in protein folding/function. However, these metrics do not provide any information on the causality relationships between residues. Such drive-response relationships are poorly studied in protein folding/function and difficult to measure experimentally due to technical limitations. In this study, using the information theory transfer entropy (TE) that provides a direct measurement of causality between two times series, we have quantified the drive-response relationships between residues in the folding/unfolding processes of four small proteins generated by molecular dynamics simulations. Instead of using a time-averaged single TE value, the time-dependent TE is measured with the Q-scores based on residue-residue contacts and with the statistical significance analysis along the folding/unfolding processes. The TE analysis is able to identify the driving and responding residues that are different from the highly correlated residues revealed by the mutual information analysis. In general, the driving residues have more regular secondary structures, are more buried, and show greater effects on the protein stability as well as folding and unfolding rates. In addition, the dominant driving and responding residues from the TE analysis on the whole trajectory agree with those on a single folding event, demonstrating that the drive-response relationships are preserved in the non-equilibrium process. Our study provides detailed insights into the protein folding process and has potential applications in protein engineering and interpretation of time-dependent residue-based experimental observables for protein function.

Het televisieprogramma "Familie Oudenrijn" II : evaluatie van de tweede serie van acht afleveringen.

NARCIS (Netherlands)

Wittink, R.D.

1988-01-01

In April /May 1988 the second series of the TV program Oudenrijn was shown. The series has the aim to stimulate road users to improve their behaviour. It is hoped that the series will act as a medium for countermeasures. An evaluation of the series was made with respect to the number of viewers and

Residual nilpotence and residual solubility of groups

International Nuclear Information System (INIS)

Mikhailov, R V

2005-01-01

The properties of the residual nilpotence and the residual solubility of groups are studied. The main objects under investigation are the class of residually nilpotent groups such that each central extension of these groups is also residually nilpotent and the class of residually soluble groups such that each Abelian extension of these groups is residually soluble. Various examples of groups not belonging to these classes are constructed by homological methods and methods of the theory of modules over group rings. Several applications of the theory under consideration are presented and problems concerning the residual nilpotence of one-relator groups are considered.

Residual stress measurement of large scaled welded pipe using neutron diffraction method. Effect of SCC crack propagation and repair weld on residual stress distribution

International Nuclear Information System (INIS)

Suzuki, Hiroshi; Katsuyama, Jinya; Tobita, Tohru; Morii, Yukio

2011-01-01

The RESA-1 neutron engineering diffractometer in the JRR-3 (Japan Research Reactor No.3) at the Japan Atomic Energy Agency, which is used for stress measurements, was upgraded to realize residual stress measurements of large scaled mechanical components. A series of residual stress measurements was made to obtain through-thickness residual stress distributions in a Type 304 stainless steel butt-welded pipe of 500A-sch.80 using the upgraded RESA-1 diffractometer. We evaluated effects of crack propagation such as stress corrosion cracking (SCC) and a part-circumference repair weld on the residual stress distributions induced by girth welding. Measured residual stress distributions near original girth weld revealed good agreement with typical results shown in some previous works using finite element method, deep hole drilling as well as neutron diffraction. After introducing a mock crack with 10 mm depth in the heat affected zone on the inside wall of the pipe by electro discharge machining, the axial residual stresses were found to be released in the part of the mock crack. However, changes in the through-wall bending stress component and the self-equilibrated stress component were negligible and hence the axial residual stress distribution in the ligament was remained in the original residual stresses near girth weld without the mock crack. Furthermore, changes in hoop and radial residual stress were also small. The residual stress distributions after a part repair welding on the outer circumference of the girth weld were significantly different from residual stress distributions near the original girth weld. The through-thickness average axial residual stress was increased due to increase of the tensile membrane stress and mitigation of the bending stress after repair welding. Throughout above studies, we evidenced that the neutron diffraction technique is useful and powerful tool for measuring residual stress distributions in large as well as thick mechanical

The influence of texture on residual stress measurements

International Nuclear Information System (INIS)

Lima, N.B. de.

1991-01-01

A computer program to calculate the orientation distribution function (ODF) from incomplete pole figures has been developed for rolled materials with a cubic structure. This program is based on Bunge's series expansion. The use of incomplete pole figures results in the loss of orthogonality among symmetric spherical harmonic functions and makes it necessary to explicitly evaluate the integrals. The ODF has been used to quantitatively evaluate the influence of texture in determining residual stresses. This has been done by calculating theoretically the strain undergone by each cell as a function of its orientation to residual stress relationship. To test the ODF program, cold rolled Cu and Al specimens were used and to evaluate residual stresses as a function of texture, cold rolled AISI 430 and 324 specimens were used. Simulations have also be presented based on the texture for each of the materials, to verify the nature of the curve d x sin 2 ψ as a function of each stress tensor components. (author)

Effect of cellulase producing fungi on plant residues degradation used as organic fertilizer

International Nuclear Information System (INIS)

Ibrahim, R.M.M

2009-01-01

Series of laboratory and field experiments were conducted at Soil microbiology Unit and Farm of soil and Water research department, Nuclear Research Center, Atomic Energy Authority, Egypt. Laboratory experiments revealed that between nine fungal strain, A. niger was the most potent cellulolytic fungus able to degrade many cellulosic sources (CP, CMC, and FP). Study the effect of cellulolytic fungi on degradation of plant residues used as organic fertilizer in addition to nitrogen fixing bacteria (symbiotically) on lupine growth, yield and nutrients uptake (Field experiment) had been carried out. This objective aims to recycling different plant residues in soil which is consistent with (sustainable development) and utilization of these organic residues as a single carbon source for cellulolytic fungi.Application of 15 N- tracer technique gave us the chance and opportunity to quantify the exact amounts of N derived from the different sources of nitrogen available to lupine plant under the effect of cellulolytic fungi on different plant residues.The obtained results could be summarized as following:I.Laboratory Technique Selection of the most potent cellulolytic fungi 1-Nine fungal strains of Aspergillus niger; Penicillium oxalicum; Trichoderma longibranchiatum; Aspergillus terreus; Aspergillus flavus; Alterrnaria sp.; Trichderma harzianum ; Rhizopus sp. and Syncephalastrum sp. obtained from different sources and tested for their cellulolytic activity. 2-Aspergillus niger and Pencillium oxalicum exhibited the highest cellulase productivity followed by Trichoderma longibranchiatum and Aspergillus terreus.3- fungal mixtures of the most potent four genera Aspergillus niger; Penicillium oxalicum; Trichoderma longibranchiatum and Aspergillus terreus found to have a lower cellulolytic activities for all substrates compared with single inoculation with A. niger.4-Highest FPase activities were exhibited by A. niger when filter paper (FP) used as a carbon source.5-A. niger is

Application of Stable Isotope in Detection of Veterinary Drug Residues

International Nuclear Information System (INIS)

Wang Wei; Liu Zhanfeng; Du Xiaoning

2010-01-01

In recent years, there has happened a series of significant food safety events worldwide, which lower down consumers' confidence in food safety, and they are taking increasing care about the sources of their foods. The safety problem of animal-origin foods has become a global topic for discussion. Therefore, it is a pressing task to establish a precise, sensitive and reliable method for analyzing veterinary drug residue. An introduction of the present status regarding veterinary drug residue analysis was made in the paper, and it briefly summarized the limit of detection (LOD) and quantification (LOQ) which could be reached in veterinary drug residue analysis by isotopic internal standard method domestically and abroad. The paper also made a review of the progress in applied research of stable isotope labeled compound in veterinary drug residue analysis of, such as, antibiotic medicines, furans and sulfonamides. The paper elucidated the great importance of the application of stable isotopes in the sane development of China's food safety system. (authors)

Residual stress relief in MAG welded joints of dissimilar steels

International Nuclear Information System (INIS)

Seodek, P.; Brozda, J.; Wang, L.; Withers, P.J.

2003-01-01

This paper addresses the relief of residual stress in welded joints between austenitic and non-alloyed ferritic-pearlitic steels. A series of similar and dissimilar steel joints based on the 18G2A (ferritic-pearlitic) and 1H18N10T (austenitic) steels were produced, some of which were stress relieved by annealing and some by mechanical prestressing. For the as-welded and stress relieved test joints the residual stresses were measured by trepanning. To aid the interpretation of these results, 2D plane stress finite element analysis has been performed to simulate the residual stress relieving methods. Analysis of the results has shown that thermal stress relieving of welded joints between dissimilar steels is not effective and may even increase residual stresses, due to the considerable difference in thermal expansion of the joined steels. It was found that, for the loads imposed, the effectiveness of the mechanical stress relieving of dissimilar steel welded joints was much lower than that of similar steel joints

Prewhitening of hydroclimatic time series? Implications for inferred change and variability across time scales

Science.gov (United States)

Razavi, Saman; Vogel, Richard

2018-02-01

Prewhitening, the process of eliminating or reducing short-term stochastic persistence to enable detection of deterministic change, has been extensively applied to time series analysis of a range of geophysical variables. Despite the controversy around its utility, methodologies for prewhitening time series continue to be a critical feature of a variety of analyses including: trend detection of hydroclimatic variables and reconstruction of climate and/or hydrology through proxy records such as tree rings. With a focus on the latter, this paper presents a generalized approach to exploring the impact of a wide range of stochastic structures of short- and long-term persistence on the variability of hydroclimatic time series. Through this approach, we examine the impact of prewhitening on the inferred variability of time series across time scales. We document how a focus on prewhitened, residual time series can be misleading, as it can drastically distort (or remove) the structure of variability across time scales. Through examples with actual data, we show how such loss of information in prewhitened time series of tree rings (so-called "residual chronologies") can lead to the underestimation of extreme conditions in climate and hydrology, particularly droughts, reconstructed for centuries preceding the historical period.

Chaotic time series. Part II. System Identification and Prediction

Directory of Open Access Journals (Sweden)

Bjørn Lillekjendlie

1994-10-01

Full Text Available This paper is the second in a series of two, and describes the current state of the art in modeling and prediction of chaotic time series. Sample data from deterministic non-linear systems may look stochastic when analysed with linear methods. However, the deterministic structure may be uncovered and non-linear models constructed that allow improved prediction. We give the background for such methods from a geometrical point of view, and briefly describe the following types of methods: global polynomials, local polynomials, multilayer perceptrons and semi-local methods including radial basis functions. Some illustrative examples from known chaotic systems are presented, emphasising the increase in prediction error with time. We compare some of the algorithms with respect to prediction accuracy and storage requirements, and list applications of these methods to real data from widely different areas.

SNEAK-4, a series of physics experiments for KNK II

International Nuclear Information System (INIS)

Engelmann, P.

1969-10-01

At the end of 1968 a three months program of neutron physics experiments was performed at SNEAK for the investigation of some nuclear properties of the KNK II reactor. The experiments were conducted by the Karlsruhe Nuclear Research Center in close cooperation with INTERATOM. The results of the measurements on SNEAK assemblies 4A and 4B are reported and compared with calculations. The experimental results of critical mass and reactivities, control rod worths, Doppler coefficient and power distribution were used to draw conclusions for the KNK II design

Statistical process control of mortality series in the Australian and New Zealand Intensive Care Society (ANZICS) adult patient database: implications of the data generating process.

Science.gov (United States)

Moran, John L; Solomon, Patricia J

2013-05-24

Statistical process control (SPC), an industrial sphere initiative, has recently been applied in health care and public health surveillance. SPC methods assume independent observations and process autocorrelation has been associated with increase in false alarm frequency. Monthly mean raw mortality (at hospital discharge) time series, 1995-2009, at the individual Intensive Care unit (ICU) level, were generated from the Australia and New Zealand Intensive Care Society adult patient database. Evidence for series (i) autocorrelation and seasonality was demonstrated using (partial)-autocorrelation ((P)ACF) function displays and classical series decomposition and (ii) "in-control" status was sought using risk-adjusted (RA) exponentially weighted moving average (EWMA) control limits (3 sigma). Risk adjustment was achieved using a random coefficient (intercept as ICU site and slope as APACHE III score) logistic regression model, generating an expected mortality series. Application of time-series to an exemplar complete ICU series (1995-(end)2009) was via Box-Jenkins methodology: autoregressive moving average (ARMA) and (G)ARCH ((Generalised) Autoregressive Conditional Heteroscedasticity) models, the latter addressing volatility of the series variance. The overall data set, 1995-2009, consisted of 491324 records from 137 ICU sites; average raw mortality was 14.07%; average(SD) raw and expected mortalities ranged from 0.012(0.113) and 0.013(0.045) to 0.296(0.457) and 0.278(0.247) respectively. For the raw mortality series: 71 sites had continuous data for assessment up to or beyond lag40 and 35% had autocorrelation through to lag40; and of 36 sites with continuous data for ≥ 72 months, all demonstrated marked seasonality. Similar numbers and percentages were seen with the expected series. Out-of-control signalling was evident for the raw mortality series with respect to RA-EWMA control limits; a seasonal ARMA model, with GARCH effects, displayed white-noise residuals

Extending the scope of amantadine drug by incorporation of phenolic azo Schiff bases as potent selective inhibitors of carbonic anhydrase II, drug likeness and binding analysis.

Science.gov (United States)

Channar, Pervaiz Ali; Saeed, Aamer; Shahzad, Danish; Larik, Fayaz Ali; Hassan, Mubashir; Raza, Hussain; Abbas, Qamar; Seo, Sung-Yum

2018-05-16

A series of Amantadine based azo Schiff base dyes 6a-6e have been synthesized and characterized by 1 H NMR and 13 C NMR and evaluated for their in vitro carbonic anhydrase II inhibition activity and antioxidant activity. All of the synthesized showed excellent carbonic inhibition. Compound 6b was found to be the most potent derivative in the series, the IC 50 of 6b was found to be 0.0849 ± 0.00245μM (standard Acetazolamide IC 50 =0.9975±0.049μM). The binding interactions of the most active analogs were confirmed through molecular docking studies. Docking studies showed 6b is interacting by making two hydrogen bonds w at His93 and Ser1 residues respectively. All compounds showed a good drug score and followed Lipinski's rule. In summary, our studies have shown that these amantadine derived phenolic azo Schiff base derivatives are a new class of carbonic anhydrase II inhibitors. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

The role of iron(II) dilution in the magnetic and photomagnetic properties of the series [Fe(x)Zn(1-x)(bpp)₂](NCSe)₂.

Science.gov (United States)

Baldé, Chérif; Desplanches, Cédric; Le Gac, Fréderic; Guionneau, Philippe; Létard, Jean-François

2014-06-07

The effects of metal dilution on the spin-crossover behavior of iron(II) in the mixed crystal series [Fe(x)Zn(1-x)(bpp)2](NCSe)2 (bpp = 2,6-bis(pyrazol-3-yl)pyridine) have been studied using magnetic susceptibility, photomagnetism and diffuse reflectivity measurements. For each mixed-crystal system, the thermal spin transition temperature, T(1/2), and the relaxation temperature of the photo-induced high-spin state, T(LIESST), have been systematically determined. It appears that T(1/2) decreases with the metal dilution while T(LIESST) remains unchanged. Dilution also tends to decrease the hysteresis width and smooth the transition curves. These effects were discussed first qualitatively and then quantitatively on the basis of a kinetic study governing the photo-induced back conversion taking into account the relative sizes of Zn(II) and Fe(II) ions. Interestingly, single crystals were obtained for [Fe(0.6)Zn(0.4)(bpp)2](NCSe)2 allowing the X-ray diffraction crystal-structure determination.

Residual stresses and critical diameter in vitreous matrix materials

International Nuclear Information System (INIS)

Mastelaro, Valmor R.; Zanotto, Edgar D.

1995-01-01

The present study was undertaken to test the validity of existing models for: i) the residual internal stresses which arise due to thermal and elastic mismatch in duplex systems, and ii) the critical particle diameter for spontaneous cracking. Partially crystallized 1,07 Na 2 O-2 Ca O-3 Si O 2 - 6% P 2 O 5 glasses were studied. The experimental residual stress was in excellent agreement with the calculated value, however, the critical particle diameter, estimated by an energy balance approach, was more than ten times smaller than the experimental value. This discrepancy indicates that the energy model is not applicable in this case. (author)

Selective peptide bond hydrolysis of cysteine peptides in the presence of Ni(II) ions.

Science.gov (United States)

Protas, Anna Maria; Bonna, Arkadiusz; Kopera, Edyta; Bal, Wojciech

2011-01-01

Recently, we described a sequence-specific R1-(Ser/Thr) peptide bond hydrolysis reaction in peptides of a general sequence R1-(Ser/Thr)-Xaa-His-Zaa-R, which occurs in the presence of Ni(II) ions [A. Krężel, E. Kopera, A. M. Protas, A. Wysłouch-Cieszyńska, J. Poznański, W. Bal, J. Am. Chem. Soc. 132 (2010) 3355-3366]. In this study we explored the possibility of substituting the Ser/Thr and the His residues, necessary for the reaction to occur according to the Ni(II)-assisted acyl shift reaction mechanism, with Cys residues. We tested this concept by synthesizing three homologous peptides: R1-Ser-Arg-Cys-Trp-R2, R1-Cys-Arg-His-Trp-R2, and R1-Cys-Arg-Cys-Trp-R2, and the R1-Ser-Arg-His-Trp-R2 peptide as comparator (R1 and R2 were CH3CO-Gly-Ala and Lys-Phe-Leu-NH2, respectively). We studied their hydrolysis in the presence of Ni(II) ions, under anaerobic conditions and in the presence of TCEP as a thiol group antioxidant. We measured hydrolysis rates using HPLC and identified products of reaction using electrospray mass spectrometry. Potentiometry and UV-vis spectroscopy were used to assess Ni(II) complexation. We demonstrated that Ni(II) is not compatible with the Cys substitution of the Ser/Thr acyl acceptor residue, but the substitution of the Ni(II) binding His residue with a Cys yields a peptide susceptible to Ni(II)-related hydrolysis. The relatively high activity of the R1-Ser-Arg-Cys-Trp-R2 peptide at pH 7.0 suggests that this peptide and its Cys-containing analogs might be useful in practical applications of Ni(II)-dependent peptide bond hydrolysis. Copyright © 2010 Elsevier Inc. All rights reserved.

Modeling pollen time series using seasonal-trend decomposition procedure based on LOESS smoothing.

Science.gov (United States)

Rojo, Jesús; Rivero, Rosario; Romero-Morte, Jorge; Fernández-González, Federico; Pérez-Badia, Rosa

2017-02-01

Analysis of airborne pollen concentrations provides valuable information on plant phenology and is thus a useful tool in agriculture-for predicting harvests in crops such as the olive and for deciding when to apply phytosanitary treatments-as well as in medicine and the environmental sciences. Variations in airborne pollen concentrations, moreover, are indicators of changing plant life cycles. By modeling pollen time series, we can not only identify the variables influencing pollen levels but also predict future pollen concentrations. In this study, airborne pollen time series were modeled using a seasonal-trend decomposition procedure based on LOcally wEighted Scatterplot Smoothing (LOESS) smoothing (STL). The data series-daily Poaceae pollen concentrations over the period 2006-2014-was broken up into seasonal and residual (stochastic) components. The seasonal component was compared with data on Poaceae flowering phenology obtained by field sampling. Residuals were fitted to a model generated from daily temperature and rainfall values, and daily pollen concentrations, using partial least squares regression (PLSR). This method was then applied to predict daily pollen concentrations for 2014 (independent validation data) using results for the seasonal component of the time series and estimates of the residual component for the period 2006-2013. Correlation between predicted and observed values was r = 0.79 (correlation coefficient) for the pre-peak period (i.e., the period prior to the peak pollen concentration) and r = 0.63 for the post-peak period. Separate analysis of each of the components of the pollen data series enables the sources of variability to be identified more accurately than by analysis of the original non-decomposed data series, and for this reason, this procedure has proved to be a suitable technique for analyzing the main environmental factors influencing airborne pollen concentrations.

The properties of the single chicken MHC classical class II alpha chain (B-LA) gene indicate an ancient origin for the DR/E-like isotype of class II molecules

DEFF Research Database (Denmark)

Salomonsen, Jan; Marston, Denise; Avila, David

2003-01-01

for the cloning and sequencing of the cDNA. We found only one class II alpha chain transcript, which bears the major features of a classical class II alpha sequence, including the critical peptide-binding residues. The chicken sequence is more similar to human DR than to the DQ, DP, DO or DM isotypes, most...... the mammalian DR and E isotypes in three properties: the presence of the critical peptide-binding residues, the low level of polymorphism and sequence diversity, and the recombinational separation from the class II beta chain genes. These results indicate that the sequence features of this lineage are both......In mammals, there are MHC class II molecules with distinctive sequence features, such as the classical isotypes DR, DQ and DP. These particular isotypes have not been reported in non-mammalian vertebrates. We have isolated the class II (B-L) alpha chain from outbred chickens as the basis...

Summary of results from velocity profile tests and wastage tests in support of LLTR series II test A-4

International Nuclear Information System (INIS)

Greene, D.A.

1981-01-01

The following conclusions were drawn from the experimental program conducted in support of LLTR (Large Leak Test Rig) Series II Test A-4: Fabrication technique for making precise slits was developed. Wastage boundary agrees with velocity profile boundary. Circumferential slit angles would have to be 120 0 to ensure adequate coverage of adjacent tubes. 120 0 circumferential slit weakens tubes such that maintaining desired slit dimensions for LLTI application is not considered practical. Use of intermittent slit geometry would be required. 120 0 slits, precisely machined and precisely aligned with target tubes, produced different penetration rates on adjacent tubes. Production of simultaneous failures in LLTI with 120 0 slit or simulated interrupted slit is not considered credible

Finite element analysis for prediction of the residual stresses induced by shot peening II

International Nuclear Information System (INIS)

Kim, Cheol; Seok, Chang Sung; Yang, Won Ho; Ryu, Myung Hai

2002-01-01

Shot peening is a surface impact treatment widely used to improve the performance of metal parts and welded details subjected to fatigue loading, contact fatigue, stress corrosion and other damage mechanisms. The better performance of the peened parts is mainly due to the residual stresses resulting from the plastic deformation of the surface layers of the material caused by the impact of the shot. In this paper the simulation technique is applied to predict the magnitude and distribution of the residual stress and plastic deformation caused by shot peening with the help of finite element analysis

Tool Wear Monitoring Using Time Series Analysis

Science.gov (United States)

Song, Dong Yeul; Ohara, Yasuhiro; Tamaki, Haruo; Suga, Masanobu

A tool wear monitoring approach considering the nonlinear behavior of cutting mechanism caused by tool wear and/or localized chipping is proposed, and its effectiveness is verified through the cutting experiment and actual turning machining. Moreover, the variation in the surface roughness of the machined workpiece is also discussed using this approach. In this approach, the residual error between the actually measured vibration signal and the estimated signal obtained from the time series model corresponding to dynamic model of cutting is introduced as the feature of diagnosis. Consequently, it is found that the early tool wear state (i.e. flank wear under 40µm) can be monitored, and also the optimal tool exchange time and the tool wear state for actual turning machining can be judged by this change in the residual error. Moreover, the variation of surface roughness Pz in the range of 3 to 8µm can be estimated by the monitoring of the residual error.

Identification of the roles of individual amino acid residues of the helix E of the major antenna of photosystem II (LHCII) by alanine scanning mutagenesis.

Science.gov (United States)

Liu, Cheng; Rao, Yan; Zhang, Lei; Yang, Chunhong

2014-10-01

The functions of the helix E (W97-F105), an amphiphilic lumenal 310 helix of the major antenna of photosystem II (LHCII), are still unidentified. To elucidate the roles of individual amino acid residue of the helix E, alanine scanning mutagenesis has been performed to mutate every residue of this domain to alanine. The influence of every alanine substitution on the structure and function of LHCII has been investigated biochemically and spectroscopically. The results show that all mutations have little impact on the pigment binding and configuration. However, many mutants presented decreased thermo- or photo-stability compared with the wild type, highlighting the significance of this helix to the stability of LHCII. The most critical residue for stability is W97. The mutant W97A yielded very fragile trimeric pigment protein complexes. The structural analysis revealed that the hydrogen bonding and aromatic interactions between W97, F195, F194 and a water molecule contributed greatly to the stability of LHCII. Moreover, Q103A and F105A have been identified to be able to reinforce the tendency of aggregation in vitro. The structural analysis suggested that the enhancement in aggregation formation for Q103A and F105A might be attributed to the changing hydrophobicity of the region. © The Authors 2014. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

Combining modelling and mutagenesis studies of synaptic vesicle protein 2A to identify a series of residues involved in racetam binding.

Science.gov (United States)

Shi, Jiye; Anderson, Dina; Lynch, Berkley A; Castaigne, Jean-Gabriel; Foerch, Patrik; Lebon, Florence

2011-10-01

LEV (levetiracetam), an antiepileptic drug which possesses a unique profile in animal models of seizure and epilepsy, has as its unique binding site in brain, SV2A (synaptic vesicle protein 2A). Previous studies have used a chimaeric and site-specific mutagenesis approach to identify three residues in the putative tenth transmembrane helix of SV2A that, when mutated, alter binding of LEV and related racetam derivatives to SV2A. In the present paper, we report a combined modelling and mutagenesis study that successfully identifies another 11 residues in SV2A that appear to be involved in ligand binding. Sequence analysis and modelling of SV2A suggested residues equivalent to critical functional residues of other MFS (major facilitator superfamily) transporters. Alanine scanning of these and other SV2A residues resulted in the identification of residues affecting racetam binding, including Ile273 which differentiated between racetam analogues, when mutated to alanine. Integrating mutagenesis results with docking analysis led to the construction of a mutant in which six SV2A residues were replaced with corresponding SV2B residues. This mutant showed racetam ligand-binding affinity intermediate to the affinities observed for SV2A and SV2B.

YAOPBM-II: extension to higher degrees and to shorter time series

Energy Technology Data Exchange (ETDEWEB)

Korzennik, S G [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)], E-mail: skorzennik@cfa.harvard.edu

2008-10-15

In 2005, I presented a new fitting methodology (Yet AnOther Peak Bagging Method -YAOPBM), derived for very-long time series (2088-day-long) and applied it to low degree modes, {iota} {<=} 25. That very-long time series was also sub-divided into shorter segments (728-day-long) that were each fitted over the same range of degrees, to estimate changes with solar activity levels. I present here the extension of this method in several 'directions': a) to substantially higher degrees ({iota} {<=} 125); b) to shorter time series (364- and 182-day-long); and c) to additional 728-day-long segments, covering now some 10 years of observations. I discuss issues with the fitting, namely the leakage matrix, and the f- and p1 mode at very low frequencies, and I present some of the characteristics of the observed temporal changes.

Persistent Organochlorine Pesticide Residues in Some Selected Cocoa Beverages in Nigeria

Directory of Open Access Journals (Sweden)

Olayinka A. Ibigbami

2017-12-01

Full Text Available This study evaluates the quality of the cocoa beverages produced in Nigeria with respect to the occurrence and levels of organochlorine pesticides OCPs residues in order to ascertain the potential health risks to the general public. Seven cocoa-based beverages were analysed for 17 OCP residues using gas chromatography coupled with an Electron Captured Detector (GC-ECD after extraction and silica-gel clean-up. The study reveals the presence of ten OCP residues in the cocoa beverages, with a concentration range from not detected ND—0.256 mg/kg, while α-BHC, β-BHC, methoxychlor, p,p′-DDE, dieldrin, endrin aldehyde, and endosulfan sulphate were not detected in any of the analysed samples. The contamination pattern of OCPs in the beverages was in the following order: Ovaltine > Milo > Cadbury-choco > Bournvita > Cowbell-coffee > Richoco > Oluji, with p,p′-DDT being the most frequently found pesticide. Heptachlor and endosulfan II showeda residual level above the European Union (EU Maximum Residual Limits (MRLs in only one sample.

Accounting Issues: An Essay Series. Part II--Accounts Receivable

Science.gov (United States)

Laux, Judith A.

2007-01-01

This is the second in a series of articles designed to help academics refocus the introductory accounting course on the theoretical underpinnings of accounting. Intended as a supplement for the principles course, this article connects the asset Accounts Receivable to the essential theoretical constructs, discusses the inherent tradeoffs and…

Quantification of heavy metals from residual waste and ashes from the treatment plant of residual water Reciclagua and,effects for the health of those workers which manipulate those residuals

International Nuclear Information System (INIS)

Guerrero D, J.J.

2004-01-01

In this work, the technique of leaching using thermostatted column in series is applied, the X-ray diffraction for the identification of the atomic and molecular structure of the toxic metals that are present in the residual muds of the water treatment plant located in the municipality of Lerma Estado de Mexico, named RECICLAGUA, likewise the technique is used of emission spectrometry for plasma and X-ray fluorescence for the qualitative analysis. Its were take samples of residual mud and of incinerated mud of the treatment plant of residual waters of the industrial corridor Toluca -Lerma RECICLAGUA, located in Lerma Estado de Mexico. For this study there were mixed 100 g of residual mud with a solution to 10% of mineral acid or sodium hydroxide according to the case, to adjust the one pH at 2, 5, 7 and 10, it was added bisulfite, of 0.3-1.5 g of dodecyl sulfate sodium and 3.939 of DTPA (triple V) (Diethylene triamine pentaacetate). To this mud and ashes were extracted the toxic and valuable metals by means of the leaching technique using thermostatted columns placed in series that were designed by the Dr. Jaime Vite Torres; it is necessary to make mention that so much the process as the equipment with those that work it was patented by the same one. With the extraction of these metals benefits are obtained, mainly of economic type, achieving the decrease of the volume of those wastes that have been generated; as well as the so much the use of those residuals, once the metals have been eliminated, as of those liquors where the metals were extracted. It was carried out a quantitative analysis using emission spectrometry by plasma in solids by this way to be able to know the content of the present metals in the sample before and later of leaching them, these results reported a great quantity of elements. Another of the techniques employees was the X-ray diffraction analysis that provides an elementary content of the samples, identifying elements that are present in

Modelling road accidents: An approach using structural time series

Science.gov (United States)

Junus, Noor Wahida Md; Ismail, Mohd Tahir

2014-09-01

In this paper, the trend of road accidents in Malaysia for the years 2001 until 2012 was modelled using a structural time series approach. The structural time series model was identified using a stepwise method, and the residuals for each model were tested. The best-fitted model was chosen based on the smallest Akaike Information Criterion (AIC) and prediction error variance. In order to check the quality of the model, a data validation procedure was performed by predicting the monthly number of road accidents for the year 2012. Results indicate that the best specification of the structural time series model to represent road accidents is the local level with a seasonal model.

Quadratic residues and non-residues selected topics

CERN Document Server

Wright, Steve

2016-01-01

This book offers an account of the classical theory of quadratic residues and non-residues with the goal of using that theory as a lens through which to view the development of some of the fundamental methods employed in modern elementary, algebraic, and analytic number theory. The first three chapters present some basic facts and the history of quadratic residues and non-residues and discuss various proofs of the Law of Quadratic Reciprosity in depth, with an emphasis on the six proofs that Gauss published. The remaining seven chapters explore some interesting applications of the Law of Quadratic Reciprocity, prove some results concerning the distribution and arithmetic structure of quadratic residues and non-residues, provide a detailed proof of Dirichlet’s Class-Number Formula, and discuss the question of whether quadratic residues are randomly distributed. The text is a valuable resource for graduate and advanced undergraduate students as well as for mathematicians interested in number theory.

Assessment of cellulose purification methods from the residue of enzymatic hydrolysis of sugarcane bagasse for the production of cellulose nanocrystals

International Nuclear Information System (INIS)

Camargo, Lais Angelice de; Farinas, Cristiane Sanchez; Marconcini, José Manoel; Mattoso, Luiz Henrique Capparelli; Pereira, Sandra Cerqueira

2016-01-01

Full text: Over the years, there is a growing trend in the reuse of residues from the agricultural industries due to social, environmental and economic demands. The production of Brazilian sugarcane in the 2014/15 season was more than 640 million tons, estimating that one third of this total is bagasse [1]. After enzymatic hydrolysis of bagasse in order to give the 2G ethanol, remains a solid fibrous residue which can be repurposed in other processes. This study evaluated four methods for the purification of the resulting solid fibrous residue from the enzymatic hydrolysis process of bagasse, with the intention of obtaining cellulose. Measurements of the crystallinity index (CI) of the cellulose contained in the samples were determined using X-ray Diffraction (XRD). The enzymatic hydrolysis of generates a fibrous solid residue with contents of lignin and cellulose. This residue was subjected to four purification methods: I) 100 mL of NaOH (5%, w/w) at 55 °C was added to 5 g of residue and 43 mL of H 2 O 2 (35%, v/v) under stirring for 1.5 hours; II) the same procedure was repeated on the resulting material from I; III) 105 mL of solution 10:1 (ν/ν) of CH 3 COOH and HNO 3 at 60 °C was added to 5 g of residue under stirring for 30 minutes; IV) reaction with a solution composed of 1 ml of CH 3 COOH and 2.5 g of NaClO 2 at 70 °C under stirring for 1 hour and after that time, the procedure was repeated twice and then the solution was kept under stirring for further 3 hours. The crystallinity indexes found for the purification procedures were: I) 81.7%; II) 83.2%; III) 52.1% e IV) 77.2%. The best result was found for the material subjected to the method II. This process (II) generated a material composed of high content of crystalline cellulose. References: [1] CONAB (National Supply Company), 2015. (author)

Effect of washing on pesticide residues in olives.

Science.gov (United States)

Guardia-Rubio, M; Ayora-Cañada, M J; Ruiz-Medina, A

2007-03-01

The present work aims at contributing to the knowledge of the fate of 5 pesticides in olives in order to evaluate how washing may affect the presence of these residues in this fruit (and consequently in olive oil). For this purpose, olives were sprayed with commercial formulations containing the active ingredients and a series of analyses were performed for 64 d by using gas chromatography with mass spectrometric detection. Selected pesticides, ranked by their importance, were diuron, terbuthylazine, simazine, alpha-endosulfan, and beta-endosulfan. The pesticide fraction, which was not removable from olives by washing, increased with time after treatment until their degradation started at week 6. Washing performed 1 d after treatment was the most effective in reducing residues, especially for simazine. Consequently, the washing step performed in olive mills could be effective in removing those herbicide residues present in olives as a consequence of contact with contaminated soil for a short time. This happens when olives are dropped and harvested off the ground by means of brushes or suction equipment.

Designer ligands. Part 15. Synthesis and characterisation of novel Mn(lI), Ni(II) and Zn(II) complexes of 1,10-phenanthroline-derived ligands

CSIR Research Space (South Africa)

Wellington, Kevin W

2009-01-01

Full Text Available Series of manganese(II), nickel(II) and zinc(II) complexes have been prepared using 1,10-phenanthroline-derived ligands, and their coordination geometries have been assigned using infrared data. It is apparent that, depending on the ligand...

The use of flocculating brewer's yeast for Cr(III) and Pb(II) removal from residual wastewaters

Energy Technology Data Exchange (ETDEWEB)

Ferraz, A.I.; Teixeira, J.A. [Centro de Engenharia Biologica-IBQF, Universidade do Minho, Braga (Portugal)

1999-11-01

The use of inexpensive biosorbents to sequester heavy metals from aqueous solutions, is one of the most promising technologies being developed to remove these toxic contaminants from wastewaters. Considering this challenge, the viability of Cr(III) and Pb(II) removal from aqueous solutions using a flocculating brewer's yeast residual biomass from a Portuguese brewing industry was studied. The influence of physicochemical factors such as medium pH, biomass concentration and the presence of a co-ion was characterised. Metal uptake kinetics and equilibrium were also analysed, considering different incubation temperatures. For both metals, uptake increased with medium pH, being maximal at 5.0. Optimal biomass concentration for the biosorption process was determined to be 4.5 g dry weight/l. In chromium and lead mixture solutions, competition for yeast binding sites was observed between the two metals, this competition being pH dependent. Yeast biomass showed higher selectivity and uptake capacity to lead. Chromium uptake kinetic was characterised as having a rapid initial step, followed by a slower one. Langmuir model describes well chromium uptake equilibrium. Lead uptake kinetics suggested the presence of mechanisms other than biosorption, possibly including its precipitation. (orig.)

Identification of the time series interrelationships with reference to ...

African Journals Online (AJOL)

In this study, the model of interest is that of a rational distributed lag function Y on X plus an independent Autoregressive Moving Average (ARMA) model. To investigate the model structure relating X and Y we considered the inverse cross correlation function for the observed and residual series in the presence of outliers.

Recurrent Neural Network Applications for Astronomical Time Series

Science.gov (United States)

Protopapas, Pavlos

2017-06-01

The benefits of good predictive models in astronomy lie in early event prediction systems and effective resource allocation. Current time series methods applicable to regular time series have not evolved to generalize for irregular time series. In this talk, I will describe two Recurrent Neural Network methods, Long Short-Term Memory (LSTM) and Echo State Networks (ESNs) for predicting irregular time series. Feature engineering along with a non-linear modeling proved to be an effective predictor. For noisy time series, the prediction is improved by training the network on error realizations using the error estimates from astronomical light curves. In addition to this, we propose a new neural network architecture to remove correlation from the residuals in order to improve prediction and compensate for the noisy data. Finally, I show how to set hyperparameters for a stable and performant solution correctly. In this work, we circumvent this obstacle by optimizing ESN hyperparameters using Bayesian optimization with Gaussian Process priors. This automates the tuning procedure, enabling users to employ the power of RNN without needing an in-depth understanding of the tuning procedure.

Eisenstein series for infinite-dimensional U-duality groups

Science.gov (United States)

Fleig, Philipp; Kleinschmidt, Axel

2012-06-01

We consider Eisenstein series appearing as coefficients of curvature corrections in the low-energy expansion of type II string theory four-graviton scattering amplitudes. We define these Eisenstein series over all groups in the E n series of string duality groups, and in particular for the infinite-dimensional Kac-Moody groups E 9, E 10 and E 11. We show that, remarkably, the so-called constant term of Kac-Moody-Eisenstein series contains only a finite number of terms for particular choices of a parameter appearing in the definition of the series. This resonates with the idea that the constant term of the Eisenstein series encodes perturbative string corrections in BPS-protected sectors allowing only a finite number of corrections. We underpin our findings with an extensive discussion of physical degeneration limits in D < 3 space-time dimensions.

Molecular analysis of carnitine palmitoyltransferase II deficiency with hepatocardiomuscular expression

Energy Technology Data Exchange (ETDEWEB)

Bonnefont, J.P.; Cepanec, C.; Leroux, J.P. [Unite INSERM, Paris (France)] [and others

1996-05-01

Carnitine palmitoyltransferase (CPT) II deficiency, an inherited disorder of mitochondrial long-chain fatty-acid (LCFA) oxidation, results in two distinct clinical act phenotypes, namely, an adult (muscular) form and an infantile (hepatocardiomuscular) form. The rationale of this phenotypic heterogeneity is poorly understood. The adult form of the disease is commonly ascribed to the Ser-113-Leu substitution in CPT II. Only few data are available regarding the molecular basis of the infantile form of the disease. We report herein a homozygous A-2399-C transversion predicting a Tyr-628-Ser substitution in a CPT II-deficient infant. In vitro expression of mutant cDNA in COS-1 cells demonstrated the responsibility of this mutation for the disease. Metabolic consequences of the Ser-113-Leu and Tyr-628-Ser substitutions were studied in fibroblasts. The Tyr-628-Ser substitution (infantile form) resulted in a 10% CPT II residual activity, markedly impairing LCFA oxidation, whereas the Ser-113-Leu substitution (adult form) resulted in a 20% CPT II residual activity, without consequence on LCFA oxidation. These data show that CPT II activity has to be reduced below a critical threshold in order for LCFA oxidation in fibroblasts to be impaired. The hypothesis that this critical threshold differs among tissues could provide a basis to explain phenotypic heterogeneity of CPT II deficiency. 32 refs., 5 figs.

Improving Neuromuscular Monitoring and Reducing Residual Neuromuscular Blockade With E-Learning: Protocol for the Multicenter Interrupted Time Series INVERT Study.

Science.gov (United States)

Thomsen, Jakob Louis Demant; Mathiesen, Ole; Hägi-Pedersen, Daniel; Skovgaard, Lene Theil; Østergaard, Doris; Engbaek, Jens; Gätke, Mona Ring

2017-10-06

Muscle relaxants facilitate endotracheal intubation under general anesthesia and improve surgical conditions. Residual neuromuscular blockade occurs when the patient is still partially paralyzed when awakened after surgery. The condition is associated with subjective discomfort and an increased risk of respiratory complications. Use of an objective neuromuscular monitoring device may prevent residual block. Despite this, many anesthetists refrain from using the device. Efforts to increase the use of objective monitoring are time consuming and require the presence of expert personnel. A neuromuscular monitoring e-learning module might support consistent use of neuromuscular monitoring devices. The aim of the study is to assess the effect of a neuromuscular monitoring e-learning module on anesthesia staff's use of objective neuromuscular monitoring and the incidence of residual neuromuscular blockade in surgical patients at 6 Danish teaching hospitals. In this interrupted time series study, we are collecting data repeatedly, in consecutive 3-week periods, before and after the intervention, and we will analyze the effect using segmented regression analysis. Anesthesia departments in the Zealand Region of Denmark are included, and data from all patients receiving a muscle relaxant are collected from the anesthesia information management system MetaVision. We will assess the effect of the module on all levels of potential effect: staff's knowledge and skills, patient care practice, and patient outcomes. The primary outcome is use of neuromuscular monitoring in patients according to the type of muscle relaxant received. Secondary outcomes include last recorded train-of-four value, administration of reversal agents, and time to discharge from the postanesthesia care unit as well as a multiple-choice test to assess knowledge. The e-learning module was developed based on a needs assessment process, including focus group interviews, surveys, and expert opinions. The e

Process to recycle shredder residue

Science.gov (United States)

Jody, Bassam J.; Daniels, Edward J.; Bonsignore, Patrick V.

2001-01-01

A system and process for recycling shredder residue, in which separating any polyurethane foam materials are first separated. Then separate a fines fraction of less than about 1/4 inch leaving a plastics-rich fraction. Thereafter, the plastics rich fraction is sequentially contacted with a series of solvents beginning with one or more of hexane or an alcohol to remove automotive fluids; acetone to remove ABS; one or more of EDC, THF or a ketone having a boiling point of not greater than about 125.degree. C. to remove PVC; and one or more of xylene or toluene to remove polypropylene and polyethylene. The solvents are recovered and recycled.

RADON CONCENTRATION TIME SERIES MODELING AND APPLICATION DISCUSSION.

Science.gov (United States)

Stránský, V; Thinová, L

2017-11-01

In the year 2010 a continual radon measurement was established at Mladeč Caves in the Czech Republic using a continual radon monitor RADIM3A. In order to model radon time series in the years 2010-15, the Box-Jenkins Methodology, often used in econometrics, was applied. Because of the behavior of radon concentrations (RCs), a seasonal integrated, autoregressive moving averages model with exogenous variables (SARIMAX) has been chosen to model the measured time series. This model uses the time series seasonality, previously acquired values and delayed atmospheric parameters, to forecast RC. The developed model for RC time series is called regARIMA(5,1,3). Model residuals could be retrospectively compared with seismic evidence of local or global earthquakes, which occurred during the RCs measurement. This technique enables us to asses if continuously measured RC could serve an earthquake precursor. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Data Series Subtraction with Unknown and Unmodeled Background Noise

Science.gov (United States)

Vitale, Stefano; Congedo, Giuseppe; Dolesi, Rita; Ferroni, Valerio; Hueller, Mauro; Vetrugno, Daniele; Weber, William Joseph; Audley, Heather; Danzmann, Karsten; Diepholz, Ingo;

Radical surgery in patients with residual disease after (chemo)radiation for cervical cancer

NARCIS (Netherlands)

Boers, Aniek; Arts, Henriette J. G.; Klip, Harry; Nijhuis, Esther R.; Pras, Elisabeth; Hollema, Harry; Wisman, G. Bea A.; Nijman, Hans W.; Mourits, Marian J. E.; Reyners, Anna K. L.; de Bock, Geertruida H.; Thomas, Gillian; van der Zee, Ate G. J.

Objective: The aim of this study was to determine possible impact of routinely scheduled biopsies and more radical surgery for residual central disease in locally advanced cervical cancer after (chemo) radiation. Methods/Materials: Data were analyzed of a consecutive series of cervical cancer

A four-stage hybrid model for hydrological time series forecasting.

Science.gov (United States)

Di, Chongli; Yang, Xiaohua; Wang, Xiaochao

2014-01-01

Hydrological time series forecasting remains a difficult task due to its complicated nonlinear, non-stationary and multi-scale characteristics. To solve this difficulty and improve the prediction accuracy, a novel four-stage hybrid model is proposed for hydrological time series forecasting based on the principle of 'denoising, decomposition and ensemble'. The proposed model has four stages, i.e., denoising, decomposition, components prediction and ensemble. In the denoising stage, the empirical mode decomposition (EMD) method is utilized to reduce the noises in the hydrological time series. Then, an improved method of EMD, the ensemble empirical mode decomposition (EEMD), is applied to decompose the denoised series into a number of intrinsic mode function (IMF) components and one residual component. Next, the radial basis function neural network (RBFNN) is adopted to predict the trend of all of the components obtained in the decomposition stage. In the final ensemble prediction stage, the forecasting results of all of the IMF and residual components obtained in the third stage are combined to generate the final prediction results, using a linear neural network (LNN) model. For illustration and verification, six hydrological cases with different characteristics are used to test the effectiveness of the proposed model. The proposed hybrid model performs better than conventional single models, the hybrid models without denoising or decomposition and the hybrid models based on other methods, such as the wavelet analysis (WA)-based hybrid models. In addition, the denoising and decomposition strategies decrease the complexity of the series and reduce the difficulties of the forecasting. With its effective denoising and accurate decomposition ability, high prediction precision and wide applicability, the new model is very promising for complex time series forecasting. This new forecast model is an extension of nonlinear prediction models.

A Four-Stage Hybrid Model for Hydrological Time Series Forecasting

Science.gov (United States)

Di, Chongli; Yang, Xiaohua; Wang, Xiaochao

2014-01-01

Hydrological time series forecasting remains a difficult task due to its complicated nonlinear, non-stationary and multi-scale characteristics. To solve this difficulty and improve the prediction accuracy, a novel four-stage hybrid model is proposed for hydrological time series forecasting based on the principle of ‘denoising, decomposition and ensemble’. The proposed model has four stages, i.e., denoising, decomposition, components prediction and ensemble. In the denoising stage, the empirical mode decomposition (EMD) method is utilized to reduce the noises in the hydrological time series. Then, an improved method of EMD, the ensemble empirical mode decomposition (EEMD), is applied to decompose the denoised series into a number of intrinsic mode function (IMF) components and one residual component. Next, the radial basis function neural network (RBFNN) is adopted to predict the trend of all of the components obtained in the decomposition stage. In the final ensemble prediction stage, the forecasting results of all of the IMF and residual components obtained in the third stage are combined to generate the final prediction results, using a linear neural network (LNN) model. For illustration and verification, six hydrological cases with different characteristics are used to test the effectiveness of the proposed model. The proposed hybrid model performs better than conventional single models, the hybrid models without denoising or decomposition and the hybrid models based on other methods, such as the wavelet analysis (WA)-based hybrid models. In addition, the denoising and decomposition strategies decrease the complexity of the series and reduce the difficulties of the forecasting. With its effective denoising and accurate decomposition ability, high prediction precision and wide applicability, the new model is very promising for complex time series forecasting. This new forecast model is an extension of nonlinear prediction models. PMID:25111782

Time series models of environmental exposures: Good predictions or good understanding.

Science.gov (United States)

Barnett, Adrian G; Stephen, Dimity; Huang, Cunrui; Wolkewitz, Martin

2017-04-01

Time series data are popular in environmental epidemiology as they make use of the natural experiment of how changes in exposure over time might impact on disease. Many published time series papers have used parameter-heavy models that fully explained the second order patterns in disease to give residuals that have no short-term autocorrelation or seasonality. This is often achieved by including predictors of past disease counts (autoregression) or seasonal splines with many degrees of freedom. These approaches give great residuals, but add little to our understanding of cause and effect. We argue that modelling approaches should rely more on good epidemiology and less on statistical tests. This includes thinking about causal pathways, making potential confounders explicit, fitting a limited number of models, and not over-fitting at the cost of under-estimating the true association between exposure and disease. Copyright © 2017 Elsevier Inc. All rights reserved.

Trend Analysis of Monthly and Annual Temperature Series of Quetta, Pakistan

Directory of Open Access Journals (Sweden)

Farhat Iqbal

2014-12-01

Full Text Available The monthly average temperature series of Quetta – Pakistan from 1950 – 2000 is examined. A straight line is fitted to the data and seasonal variation and trend in temperature for each month of the year were obtained. An overall model is constructed as large variations in the monthly slopes were observed. In order to describe the seasonal pattern and trend in temperature, corresponding to the different months, both sine/cosine waves and sine/cosine waves multiplied by the time were included in the model as independent variables. The lag-1 autocorrelation was found in the residual of the model and hence another model was fitted to the pre-whiten series that shows a good fit ( and is free from correlated residuals. Both parametric and non-parametric tests applied to each month temperature show significant trend in all months except February and March.

Solvent-mediated secondary building units (SBUs) diversification in a series of MnII-based metal-organic frameworks (MOFs)

Science.gov (United States)

Niu, Yan-Fei; Cui, Li-Ting; Han, Jie; Zhao, Xiao-Li

2016-09-01

The role of auxiliary solvents in the formation of MOFs has been investigated for a series of MnII-based framework systems. Reactions of 4,4‧,4″-nitrilotribenzoic acid (H3L) with MnII through varying auxiliary solvents of the medium resulted in the formation of diversified multinuclear MnII subunits in four new coordination polymers: [Mn3(L)(HCOO)3(DEF)3] (1), [Mn3(L)2(EtOH)2]·DMF (2), [Mn5(L)4(H2O)2]·2(H2NMe2)+·4DMF·2H2O (3), and [Mn3(L)2(py)4(H2O)]·H2O (4) (H3L=4,4‧,4‧-nitrilotribenzoic acid, DMF=dimethylformamide, DEF=N,N-diethylformamide, py=pyridine). These four compounds were fully characterized by single-crystal X-ray diffraction, showing interesting SBUs variations. For compound 1, it displays a (3,6)-connected kgd net with wheel [Mn6] cluster serving as SBU, whereas in 2, the sequence of Mn3(COO)9(EtOH)2 is repeated by inversion centers located between Mn1 and Mn3 to form an infinite Mn-carboxylate chain, which are further interlinked by L3- ligands to form a 3D architecture. In 3, the pentanuclear Mn5(CO2)12 clusters are interlinked to form a layer, which are further pillared by L3- to generate a 3D network. Compound 4 has a (3,6)-connected network in which the SBU is a linear trimeric Mn3(COO)6(py)4(H2O) cluster. In addition, the thermal stabilities, X-ray powder diffraction of all the compounds were studied, photoluminescence behaviors of compounds 1, 3 and 4 are discussed.

Formation of Mixed-Ligand Complexes of Metals(II) with Monoamine Complexones and Amino Acids in Solution

Science.gov (United States)

Pyreu, D. F.; Gridchin, S. N.

2018-05-01

The formation of mixed-ligand complexes in the M(II)-Nta, Ida-L (M = Cu(II), Ni, Zn, Co(II), L = Ser, Thr, Asp, Arg, Asn) systems, where Ida and Nta are the residues of iminodiacetic and nitrilotriacetic acids, respectively, is studied using pH measurements, calorimetry and spectrophotometry. The thermodynamic parameters (log K, Δr G 0, Δr H, Δr S) of their formation at 298.15 K and ionic strength I = 0.5 (KNO3) are determined. The most likely scenario of amino acid residue coordination in the composition of mixed complexes is discussed.

Treatment of residual waters of slaughterhouses with filters

International Nuclear Information System (INIS)

Ortiz A, Jesus Mario

1995-01-01

For studying the anaerobic treatment of the residual waters coming from a slaughterhouse of bovine livestock, they were used a system of two filters in series and a third unique filter as witness. With values average of load organic volumetric and time of retention of 1.6 kg/(m 3 d) and 26 hours respectively, the efficiencies of removal of total DQO were similar in the unique filter and in the system in series, of the order of 64% on the average. Likewise, the retention and accumulation of biological solids in the channel were shown as the main road of removal of the DQO. The differentiation of the process achieved with the two filters in series allowed establishing that most of the accumulation happened in the primary filter, as long as the fundamental of the bioconversion in methane took place in the secondary filter of the system in series. The first relative level of methanegenization obtained could be explained by the limitations to the activity of the methanogenic biomass imposed by the low temperatures, although it could not discard a probable inhibition for the hydrolysis products of the accumulated fats

A Kalman Filter-Based Method to Generate Continuous Time Series of Medium-Resolution NDVI Images

Directory of Open Access Journals (Sweden)

Fernando Sedano

2014-12-01

Full Text Available A data assimilation method to produce complete temporal sequences of synthetic medium-resolution images is presented. The method implements a Kalman filter recursive algorithm that integrates medium and moderate resolution imagery. To demonstrate the approach, time series of 30-m spatial resolution NDVI images at 16-day time steps were generated using Landsat NDVI images and MODIS NDVI products at four sites with different ecosystems and land cover-land use dynamics. The results show that the time series of synthetic NDVI images captured seasonal land surface dynamics and maintained the spatial structure of the landscape at higher spatial resolution. The time series of synthetic medium-resolution NDVI images were validated within a Monte Carlo simulation framework. Normalized residuals decreased as the number of available observations increased, ranging from 0.2 to below 0.1. Residuals were also significantly lower for time series of synthetic NDVI images generated at combined recursion (smoothing than individually at forward and backward recursions (filtering. Conversely, the uncertainties of the synthetic images also decreased when the number of available observations increased and combined recursions were implemented.

Study On The Procedures For Determining Of Pesticide Residues In Green Vegetables

International Nuclear Information System (INIS)

Le Tat Mua; Nguyen Tien Dat; Nguyen Van Minh; Nguyen Ngoc Tuan; Le Thi Ngoc Trinh; Ta Thi Tuyet Nhung; Truong Van Tai; Tran Thanh Nha; Nguyen Thi Hong Tham

2007-01-01

Researches presented in this work are divided into two main parts. One part embraces the residue analytical methods. The other part comprises applying of these residue analytical methods for analysis of plant material. Part I: Residue analytical methods (Analytical procedures): Determination of Endosulphan in plant material by GC/ECD; Determination of Methamidofos in plant material by GC/FTD; Determination of Deltamethrin, Cyhalothrin, Cyfluthrin in plant material by GC/ECD; Determination of Maneb in plant material by HPLC/UV; Determination of Zineb in plant material by F-AAS; Determination of Organo-Asenic and Mercury in plant material by RNAA; The limits of detection and determination (LOD, LOQ), Recovery, Efficiency, the Calibration curve are validated. Part II: Applying of Residue Analytical Methods for analysis of endosulphan, methamidofos, maneb, zineb, cyhalothrin, deltamethrin, cyfluthrin, metallo-organic compounds in Spinach, Cabbage, Pimento, Japanese Bean, Japanese Pumpkin, Tomato, Potato, Sweet Potato. The results and conclusion are present in this work. (author)

Common molecular determinants of tarantula huwentoxin-IV inhibition of Na+ channel voltage sensors in domains II and IV.

Science.gov (United States)

Xiao, Yucheng; Jackson, James O; Liang, Songping; Cummins, Theodore R

2011-08-05

The voltage sensors of domains II and IV of sodium channels are important determinants of activation and inactivation, respectively. Animal toxins that alter electrophysiological excitability of muscles and neurons often modify sodium channel activation by selectively interacting with domain II and inactivation by selectively interacting with domain IV. This suggests that there may be substantial differences between the toxin-binding sites in these two important domains. Here we explore the ability of the tarantula huwentoxin-IV (HWTX-IV) to inhibit the activity of the domain II and IV voltage sensors. HWTX-IV is specific for domain II, and we identify five residues in the S1-S2 (Glu-753) and S3-S4 (Glu-811, Leu-814, Asp-816, and Glu-818) regions of domain II that are crucial for inhibition of activation by HWTX-IV. These data indicate that a single residue in the S3-S4 linker (Glu-818 in hNav1.7) is crucial for allowing HWTX-IV to interact with the other key residues and trap the voltage sensor in the closed configuration. Mutagenesis analysis indicates that the five corresponding residues in domain IV are all critical for endowing HWTX-IV with the ability to inhibit fast inactivation. Our data suggest that the toxin-binding motif in domain II is conserved in domain IV. Increasing our understanding of the molecular determinants of toxin interactions with voltage-gated sodium channels may permit development of enhanced isoform-specific voltage-gating modifiers.

Radiotracer studies of fungicide residues in food plants

International Nuclear Information System (INIS)

1990-04-01

Agricultural fungicides are chemicals used on seeds, crops and in soils throughout the growing season. Fungicide treatments may lead to various levels of chemical residues in food commodities. Primary emphasis has been placed on ethylenebisdithiocarbamates (EBDCs), an important group of agrofungicides used in preparations for spraying or dusting major crops such as apples, pears, broccoli, cabbages, egg plants, cauliflower, grapes, lettuce, peppers, celery, cucumbers and tomatoes. Treatments with EBDCs result in terminal residues containing ethylenthiourea (ETU). This is a toxicologically significant decomposition product which has attracted considerable attention in recent years due to indications of its potential goitrogenic and carcinogenic properties. In recognition of the need for a coordinated examination of ETU levels in food, particularly under tropical conditions, the program of radiotracer techniques as a tool for studying fungicide residue problems on food was initiated in 1984. In current studies, three EBDCs, maneb, zineb and mancozeb from different manufacturers in different countries were analysed. This report describes the model protocols (Annexes I, II and III) as they were set up for determination of residues in commodities and soil, using radiotracer and conventional chromatographic techniques . In the 16 papers presented in this report C 14 -labelled EBDCs are determined in plants, vegetables, and soils, before and after cooking, as a function of time and of other agricultural parameters. Refs, figs and tabs

Iterative Regularization with Minimum-Residual Methods

DEFF Research Database (Denmark)

Jensen, Toke Koldborg; Hansen, Per Christian

2007-01-01

subspaces. We provide a combination of theory and numerical examples, and our analysis confirms the experience that MINRES and MR-II can work as general regularization methods. We also demonstrate theoretically and experimentally that the same is not true, in general, for GMRES and RRGMRES their success......We study the regularization properties of iterative minimum-residual methods applied to discrete ill-posed problems. In these methods, the projection onto the underlying Krylov subspace acts as a regularizer, and the emphasis of this work is on the role played by the basis vectors of these Krylov...... as regularization methods is highly problem dependent....

Iterative regularization with minimum-residual methods

DEFF Research Database (Denmark)

Jensen, Toke Koldborg; Hansen, Per Christian

2006-01-01

subspaces. We provide a combination of theory and numerical examples, and our analysis confirms the experience that MINRES and MR-II can work as general regularization methods. We also demonstrate theoretically and experimentally that the same is not true, in general, for GMRES and RRGMRES - their success......We study the regularization properties of iterative minimum-residual methods applied to discrete ill-posed problems. In these methods, the projection onto the underlying Krylov subspace acts as a regularizer, and the emphasis of this work is on the role played by the basis vectors of these Krylov...... as regularization methods is highly problem dependent....

Complete Treatment Versus Residual Lesion - Long-Term Evolution After Acute Coronary Syndrome

Directory of Open Access Journals (Sweden)

Alexandre de Matos Soeiro

Full Text Available Abstract Introduction: A recently published study raised doubts about the need for percutaneous treatment of nonculprit lesions in patients with acute coronary syndromes (ACS. Methods: Retrospective, unicentric, observational study. Objective: To analyze the long-term outcomes in patients undergoing treatment of the culprit artery, comparing those who remained with significant residual lesions in nonculprit arteries (group I versus those without residual lesions in other coronary artery beds (group II. The study included 580 patients (284 in group I and 296 in group II between May 2010 and May 2013. We obtained demographic and clinical data, as well as information regarding the coronary treatment administered to the patients. In the statistical analysis, the primary outcome included combined events (reinfarction/angina, death, heart failure, and need for reintervention. The comparison between groups was performed using the chi-square test and ANOVA. The long-term analysis was conducted with the Kaplan-Meier method, with a mean follow-up of 9.86 months. Results: The mean ages were 63 years in group I and 62 years in group II. On long-term follow-up, there was no significant difference in combined events in groups I and II (31.9% versus 35.6%, respectively, p = 0.76. Conclusion: The strategy of treating the culprit artery alone seems safe. In this study, no long-term differences in combined endpoints were observed between patients who remained with significant lesions compared with those without other obstructions.

Improving GNSS time series for volcano monitoring: application to Canary Islands (Spain)

Science.gov (United States)

García-Cañada, Laura; Sevilla, Miguel J.; Pereda de Pablo, Jorge; Domínguez Cerdeña, Itahiza

2017-04-01

The number of permanent GNSS stations has increased significantly in recent years for different geodetic applications such as volcano monitoring, which require a high precision. Recently we have started to have coordinates time series long enough so that we can apply different analysis and filters that allow us to improve the GNSS coordinates results. Following this idea we have processed data from GNSS permanent stations used by the Spanish Instituto Geográfico Nacional (IGN) for volcano monitoring in Canary Islands to obtained time series by double difference processing method with Bernese v5.0 for the period 2007-2014. We have identified the characteristics of these time series and obtained models to estimate velocities with greater accuracy and more realistic uncertainties. In order to improve the results we have used two kinds of filters to improve the time series. The first, a spatial filter, has been computed using the series of residuals of all stations in the Canary Islands without an anomalous behaviour after removing a linear trend. This allows us to apply this filter to all sets of coordinates of the permanent stations reducing their dispersion. The second filter takes account of the temporal correlation in the coordinate time series for each station individually. A research about the evolution of the velocity depending on the series length has been carried out and it has demonstrated the need for using time series of at least four years. Therefore, in those stations with more than four years of data, we calculated the velocity and the characteristic parameters in order to have time series of residuals. This methodology has been applied to the GNSS data network in El Hierro (Canary Islands) during the 2011-2012 eruption and the subsequent magmatic intrusions (2012-2014). The results show that in the new series it is easier to detect anomalous behaviours in the coordinates, so they are most useful to detect crustal deformations in volcano monitoring.

TAF(II)250: a transcription toolbox.

Science.gov (United States)

Wassarman, D A; Sauer, F

2001-08-01

Activation of RNA-polymerase-II-dependent transcription involves conversion of signals provided by gene-specific activator proteins into the synthesis of messenger RNA. This conversion requires dynamic structural changes in chromatin and assembly of general transcription factors (GTFs) and RNA polymerase II at core promoter sequence elements surrounding the transcription start site of genes. One hallmark of transcriptional activation is the interaction of DNA-bound activators with coactivators such as the TATA-box binding protein (TBP)-associated factors (TAF(II)s) within the GTF TFIID. TAF(II)250 possesses a variety of activities that are likely to contribute to the initial steps of RNA polymerase II transcription. TAF(II)250 is a scaffold for assembly of other TAF(II)s and TBP into TFIID, TAF(II)250 binds activators to recruit TFIID to particular promoters, TAF(II)250 regulates binding of TBP to DNA, TAF(II)250 binds core promoter initiator elements, TAF(II)250 binds acetylated lysine residues in core histones, and TAF(II)250 possesses protein kinase, ubiquitin-activating/conjugating and acetylase activities that modify histones and GTFs. We speculate that these activities achieve two goals--(1) they aid in positioning and stabilizing TFIID at particular promoters, and (2) they alter chromatin structure at the promoter to allow assembly of GTFs--and we propose a model for how TAF(II)250 converts activation signals into active transcription.

The Spider Venom Peptide Lycosin-II Has Potent Antimicrobial Activity against Clinically Isolated Bacteria

Directory of Open Access Journals (Sweden)

Yongjun Wang

2016-04-01

Full Text Available Antimicrobial peptides have been accepted as excellent candidates for developing novel antibiotics against drug-resistant bacteria. Recent studies indicate that spider venoms are the source for the identification of novel antimicrobial peptides. In the present study, we isolated and characterized an antibacterial peptide named lycosin-II from the venom of the spider Lycosa singoriensis. It contains 21 amino acid residue lacking cysteine residues and forms a typical linear amphipathic and cationic α-helical conformation. Lycosin-II displays potent bacteriostatic effect on the tested drug-resistant bacterial strains isolated from hospital patients, including multidrug-resistant A. baumannii, which has presented a huge challenge for the infection therapy. The inhibitory ability of lycosin-II might derive from its binding to cell membrane, because Mg2+ could compete with the binding sites to reduce the bacteriostatic potency of lycosin-II. Our data suggest that lycosin-II might be a lead in the development of novel antibiotics for curing drug-resistant bacterial infections.

Residual distribution for general time-dependent conservation laws

International Nuclear Information System (INIS)

Ricchiuto, Mario; Csik, Arpad; Deconinck, Herman

2005-01-01

We consider the second-order accurate numerical solution of general time-dependent hyperbolic conservation laws over unstructured grids in the framework of the Residual Distribution method. In order to achieve full conservation of the linear, monotone and first-order space-time schemes of (Csik et al., 2003) and (Abgrall et al., 2000), we extend the conservative residual distribution (CRD) formulation of (Csik et al., 2002) to prismatic space-time elements. We then study the design of second-order accurate and monotone schemes via the nonlinear mapping of the local residuals of linear monotone schemes. We derive sufficient and necessary conditions for the well-posedness of the mapping. We prove that the schemes obtained with the CRD formulation satisfy these conditions by construction. Thus the nonlinear schemes proposed in this paper are always well defined. The performance of the linear and nonlinear schemes are evaluated on a series of test problems involving the solution of the Euler equations and of a two-phase flow model. We consider the resolution of strong shocks and complex interacting flow structures. The results demonstrate the robustness, accuracy and non-oscillatory character of the proposed schemes. d schemes

Strategies for the screening of antibiotic residues in eggs: comparison of the validation of the classical microbiological method with an immunobiosensor method.

Science.gov (United States)

Gaudin, Valérie; Rault, Annie; Hedou, Celine; Soumet, Christophe; Verdon, Eric

2017-09-01

Efficient screening methods are needed to control antibiotic residues in eggs. A microbiological kit (Explorer® 2.0 test (Zeu Inmunotech, Spain)) and an immunobiosensor kit (Microarray II (AM® II) on Evidence Investigator™ system (Randox, UK)) have been evaluated and validated for screening of antibiotic residues in eggs, according to the European decision EC/2002/657 and to the European guideline for the validation of screening methods. The e-reader™ system, a new automatic incubator/reading system, was coupled to the Explorer 2.0 test. The AM II kit can detect residues of six different families of antibiotics in different matrices including eggs. For both tests, a different liquid/liquid extraction of eggs had to be developed. Specificities of the Explorer 2.0 and AM II kit were equal to 8% and 0% respectively. The detection capabilities were determined for 19 antibiotics, with representatives from different families, for Explorer 2.0 and 12 antibiotics for the AM II kit. For the nine antibiotics having a maximum residue limit (MRL) in eggs, the detection capabilities CCβ of Explorer 2.0 were below the MRL for four antibiotics, equal to the MRL for two antibiotics and between 1 and 1.5 MRLs for the three remaining antibiotics (tetracyclines). For the antibiotics from other families, the detection capabilities were low for beta-lactams and sulfonamides and satisfactory for dihydrostreptomycin (DHS) and fluoroquinolones, which are usually difficult to detect with microbiological tests. The CCβ values of the AM II kit were much lower than the respective MRLs for three detected antibiotics (tetracycline, oxytetracycline, tylosin). Concerning the nine other antibiotics, the detection capabilities determined were low. The highest CCβ was obtained for streptomycin (100 µg kg -1 ).

Modelos de gestión de conflictos en serie de ficción televisiva (Conflict management models in television fiction series

Directory of Open Access Journals (Sweden)

Yolanda Navarro-Abal

2012-12-01

Full Text Available Television fiction series sometimes generate an unreal vision of life, especially among young people, becoming a mirror in which they can see themselves reflected. The series become models of values, attitudes, skills and behaviours that tend to be imitated by some viewers. The aim of this study was to analyze the conflict management behavioural styles presented by the main characters of television fiction series. Thus, we evaluated the association between these styles and the age and sex of the main characters, as well as the nationality and genre of the fiction series. 16 fiction series were assessed by selecting two characters of both sexes from each series. We adapted the Rahim Organizational Conflict Inventory-II for observing and recording the data. The results show that there is no direct association between the conflict management behavioural styles presented in the drama series and the sex of the main characters. However, associations were found between these styles and the age of the characters and the genre of the fiction series.

Kinetic and spectroscopic investigation of CoII, NiII, and N-oxalylglycine inhibition of the FeII/α-ketoglutarate dioxygenase, TauD

International Nuclear Information System (INIS)

Kalliri, Efthalia; Grzyska, Piotr K.; Hausinger, Robert P.

2005-01-01

Co II , Ni II , and N-oxalylglycine (NOG) are well-known inhibitors of Fe II /α-ketoglutarate (αKG)-dependent hydroxylases, but few studies describe their kinetics and no spectroscopic investigations have been reported. Using taurine/αKG dioxygenase (TauD) as a paradigm for this enzyme family, time-dependent inhibition assays showed that Co II and Ni II follow slow-binding inhibition kinetics. Whereas Ni II -substituted TauD was non-chromophoric, spectroscopic studies of the Co II -substituted enzyme revealed a six-coordinate site (protein alone or with αKG) that became five-coordinate upon taurine addition. The Co II spectrum was not perturbed by a series of anions or oxidants, suggesting the Co II is inaccessible and could be used to stabilize the protein. NOG competed weakly (K i ∼ 290 μM) with αKG for binding to TauD, with the increased electron density of NOG yielding electronic transitions for NOG-Fe II -TauD and taurine-NOG-Fe II -TauD at 380 nm (ε 38 90-105 M -1 cm -1 ). The spectra of the NOG-bound TauD species did not change significantly upon oxygen exposure, arguing against the formation of an oxygen-bound state mimicking an early intermediate in catalysis

Shark class II invariant chain reveals ancient conserved relationships with cathepsins and MHC class II.

Science.gov (United States)

Criscitiello, Michael F; Ohta, Yuko; Graham, Matthew D; Eubanks, Jeannine O; Chen, Patricia L; Flajnik, Martin F

2012-03-01

The invariant chain (Ii) is the critical third chain required for the MHC class II heterodimer to be properly guided through the cell, loaded with peptide, and expressed on the surface of antigen presenting cells. Here, we report the isolation of the nurse shark Ii gene, and the comparative analysis of Ii splice variants, expression, genomic organization, predicted structure, and function throughout vertebrate evolution. Alternative splicing to yield Ii with and without the putative protease-protective, thyroglobulin-like domain is as ancient as the MHC-based adaptive immune system, as our analyses in shark and lizard further show conservation of this mechanism in all vertebrate classes except bony fish. Remarkable coordinate expression of Ii and class II was found in shark tissues. Conserved Ii residues and cathepsin L orthologs suggest their long co-evolution in the antigen presentation pathway, and genomic analyses suggest 450 million years of conserved Ii exon/intron structure. Other than an extended linker preceding the thyroglobulin-like domain in cartilaginous fish, the Ii gene and protein are predicted to have largely similar physiology from shark to man. Duplicated Ii genes found only in teleosts appear to have become sub-functionalized, as one form is predicted to play the same role as that mediated by Ii mRNA alternative splicing in all other vertebrate classes. No Ii homologs or potential ancestors of any of the functional Ii domains were found in the jawless fish or lower chordates. Copyright © 2011 Elsevier Ltd. All rights reserved.

Transcatheter interruption of large residual flow after device closure of "Type A" patent ductus arteriosus

Directory of Open Access Journals (Sweden)

Anuradha Sridhar

2012-01-01

Full Text Available We report a case of 3-year-old girl who had persistence of large residual flow following transcatheter closure of a 6 mm ′Type A′ patent ductus arteriosus using a 12 × 10 mm duct occluder. Angiography revealed a large left-to-right shunt coursing through and exiting around the implanted device. Near total abolition of the residual shunt was achieved by initial implantation of an embolization coil within the duct occluder and subsequently an Amplatzer duct occluder (ADO II adjacent to the duct occluder. This challenging case describes an additional technique of abolishing a large residual flow in and around a Nitinol duct occluder device.

He II lines in the spectrum of zeta Puppis

International Nuclear Information System (INIS)

Snijders, M.A.J.; Underhill, A.B.

1975-01-01

Equivalents widths of He II lines in the series n=2,3,4 and 5 are compiled and compared with predictions from plane-parallel, static model atmospheres using a non-LTE theory of line formation. The agreement between observation and prediction for a (50,000,4.0) model atmosphere is good for the upper members of the n=3 and the n=5 series, but the two lines of the n=2 series which are observed and the upper members of the n=4 series (4→15,4→17, etc.) are stronger than predicted. Well-determined profiles of lines from the n=3 series indicate v sin i=200 km s -1 . Profiles of the higher members of the n=4 series, however, do not match the predictions, the observed line cores being deeper than predicted. The n=4 level appears to be more overpopulated at moderate depths in the atmosphere than the non-LTE calculations with plane-parallel layers indicate. This may be due to an overlap of the H and He II lines in the even-even series caused by macroturbulent velocities of the hydrogen atoms and helium atoms

Study of a nickel-copper filter for the future conditioning of insoluble residues

Energy Technology Data Exchange (ETDEWEB)

Massoni, Nicolas, E-mail: nicolas.massoni@cea.fr

2016-10-15

This paper deals with the feasibility of a separate conditioning for insoluble residues coming from spent nuclear fuel reprocessing. The two possible conditioning routes considered for insoluble residues were (i) added with cladding hulls with the considered filter (route #1) or (ii) melted with a nickel copper alloy already studied (route #2). Only route #2 was dealt with in this study. In France, the current practice is to store insoluble residues in a water suspension. For the two conditioning routes described here, dry insoluble residues are required for safety with melted metals. A nickel-copper filter was developed that can serve for the two types of conditioning. A filtration test performed with molybdenum particles as insoluble residue surrogates was done. The particle-charged filter was sintered, and Mo particles were kept inside the filter. Thus an integrated flowsheet for the filtration and immobilization of insoluble residues was demonstrated. - Highlights: • The basics for an integrated flowsheet for the filtration and immobilization of insoluble residues were demonstrated. • The filter can serve as an immobilization matrix or can be added in another metal waste. • A theoretical calculation has shown that the conception of the filter should be done to avoid an excessive heat-up.

The effect of tensioning and sectioning on residual stresses in aluminium AA7749 friction stir welds

International Nuclear Information System (INIS)

Altenkirch, J.; Steuwer, A.; Peel, M.; Richards, D.G.; Withers, P.J.

2008-01-01

Using synchrotron X-ray diffraction the residual stress distribution has been measured in a series of AA7449-W51 aluminium friction stir welds that had been tensioned to different loads during welding. By modifying the stress accumulation path, the application of a tensioning stress has reduced the tensile magnitude of the final residual weld stresses. In the present case the residual stresses were minimised when the applied load is ∼35% of the room temperature yield stress of the parent material. Subsequent sectioning of the weld into shorter test lengths, as might be necessary for weld testing, resulted in a progressive and significant relaxation of the residual stress field. The effect of tensioning on the weld component distortion also has been investigated

Laboratory evaluation of particle size, food contamination, and residual efficacy of pyrethrin + methoprene aerosol

Science.gov (United States)

A series of tests were conducted to determine residual efficacy of pyrethrin+methoprene aerosol to manage larvae of selected stored product insects. Efficacy was assessed through emergence of morphologically-normal adults and through a quantitative developmental index with values ranging from 1, for...

TEGANGAN RESIDU KEPING ARESTER SEBAGAI FUNGSI DARI CACAH KEPING ARESTER

Directory of Open Access Journals (Sweden)

Devia Eka Yunida dan T. Haryono

2014-06-01

Full Text Available Indonesia is a tropical area with a high intensity of repeating lightning strikes. The voltage is produced by lightning by increasing the presence of sensitive loads. Therefore, lightning can easily worsen the quality of consumer power, even if the generated voltage is relatively low. Lightning strikes can cause excessive voltage along the power lines. Its propagation can cause a voltage surge on low voltage systems, which can damage the equipment. Maintenance and protection against lightning strikes are necessary for the prevention of such damage. Arrester is a device that is intensively used nowadays by the general public to protect equipments from lightning strikes. It is used to protect the system from the danger of lightning by flowing current into the ground and leaving a certain resistance value, so that the system does not experience a surge voltage.This research was conducted through laboratory-scale testings using several major equipments, such as a high voltage generator, an impulse voltage generator, and an oscilloscope. Modifications of the tests were done using one to four 220 volt low voltage Merlin Gerin LTD arresters arranged in series, with a maximum current of 6.5 kA . Calculations using equations for low voltage circuit in series were done for more than four arresters. From the test results, it was found that the characteristics of the arrester residual voltage will rise when connected in series. Low voltage arresters can be used for higher voltage requirements by counting the number of arresters needed. The equation for the number of arresters in series required to cut the overvoltage surge is y = 0.694x – 0.106. Therefore, if more than 4 arresters will be needed, the residue voltage can be estimated through this formula.

Planning for closure and deactivation of the EBR-II complex

International Nuclear Information System (INIS)

Michelbacher, J.A.; Henslee, S.P.; Poland, H.F.; Wells, P.B.

1997-01-01

In January 1994, DOE terminated the Integral Fast Reactor (IFR) Program. Argonne National Laboratory-West (ANL-W) prepared a detailed plan to put Experimental Breeder Reactor-II (EBR-II) in a safe condition, including removal of irradiated fueled subassemblies from the plant, transfer of subassemblies, and removal and stabilization of primary and secondary sodium liquid heat transfer metal. The goal of deactivation is to stabilize the EBR-II complex until decontamination and decommissioning (D ampersand D) is implemented, thereby minimizing maintenance and surveillance. Deactivation of a sodium cooled reactor presents unique concerns. Residual sodium in the primary and secondary systems must be either reacted or inerted to preclude concerns with explosive sodium-air reactions. Also, residual sodium on components will effectively solder these items in place, making removal unfeasible. Several special cases reside in the primary system, including primary cold traps, a cesium trap, a cover gas condenser, and systems containing sodium-potassium alloy. The sodium or sodium-potassium alloy in these components must be reacted in place or the components removed. The Sodium Components Maintenance Shop at ANL-W provides the capability for washing primary components, removing residual quantities of sodium while providing some decontamination capacity. Considerations need to be given to component removal necessary for providing access to primary tank internals for D ampersand D activities, removal of hazardous materials, and removal of stored energy sources. ANL-W's plan for the deactivation of EBR-II addresses these issues, providing for an industrially and radiologically safe complex, requiring minimal surveillance during the interim period between deactivation and D ampersand D. Throughout the deactivation and closure of the EBR-II complex, federal environmental concerns will be addressed, including obtaining the proper permits for facility condition and waste processing

Evaluation of LLTR series II test A-7 results

International Nuclear Information System (INIS)

Knittle, D.E.; Amos, J.C.; Yang, T.M.

1981-09-01

This report evaluates the test A-7 data and assesses the capability of the analytical methodology (as a result of Series I program) to predict the thermal/hydraulic phenomena associated with a large SWR event occurring after the sodium system pressure has increased to near the rupture disc burst pressure due to a smaller size leak event. Evaluation of intertest examination data to determine the extent of test article damage resulting from test A-7 is also included

Military Family Coping Project - Phase II

Science.gov (United States)

2015-05-01

Anxiety, Life Satisfaction , Addiction, Trauma 4 The Military Family Coping Project reflects two phases. The first consisted of a series of focus...need for and guided the work of the Military Family Coping Project Phase II funded by TATRC. The Military Family Coping Project Phase II was...solidarity. For the purposes of family functioning analyses, married and unmarried soldiers were analyzed separately because marital status affects

Ba(Ra)SO4 species flotation for decontamination of Ra(II) residual solution

International Nuclear Information System (INIS)

Stoica, Ligia; Catuneanu, Rodica; Filip, Gheorghe

1993-01-01

The paper presents the results of the research performed on Ra(II) separation from complex composition solutions in a HCO 3 - /CO 3 2- buffer system by Ba(Ra)SO 4 precipitation followed by flotation. The collector selection was done by electrokinetic potential determinations. The optimum concentrations of precipitation-flocculation reagents were established on the basis of the experimental data obtained for synthetic solutions having the same Ra(II) activity, namely 20 pCi/l. (authors)

Benchmark calculations on residue production within the EURISOL DS project; Part II: thick targets

CERN Document Server

David, J.-C; Boudard, A; Doré, D; Leray, S; Rapp, B; Ridikas, D; Thiollière, N

Benchmark calculations on residue production using MCNPX 2.5.0. Calculations were compared to mass-distribution data for 5 different elements measured at ISOLDE, and to specific activities of 28 radionuclides in different places along the thick target measured in Dubna.

Solvent-mediated secondary building units (SBUs) diversification in a series of Mn{sup II}-based metal-organic frameworks (MOFs)

Energy Technology Data Exchange (ETDEWEB)

Niu, Yan-Fei; Cui, Li-Ting [Shanghai Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China); Han, Jie, E-mail: chan@ouhk.edu.hk [School of Science & Technology, The Open University of Hong Kong, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Zhao, Xiao-Li, E-mail: xlzhao@chem.ecnu.edu.cn [Shanghai Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

2016-09-15

The role of auxiliary solvents in the formation of MOFs has been investigated for a series of Mn{sup II}-based framework systems. Reactions of 4,4′,4″-nitrilotribenzoic acid (H{sub 3}L) with Mn{sup II} through varying auxiliary solvents of the medium resulted in the formation of diversified multinuclear Mn{sup II} subunits in four new coordination polymers: [Mn{sub 3}(L)(HCOO){sub 3}(DEF){sub 3}] (1), [Mn{sub 3}(L){sub 2}(EtOH){sub 2}]·DMF (2), [Mn{sub 5}(L){sub 4}(H{sub 2}O){sub 2}]·2(H{sub 2}NMe{sub 2}){sup +}·4DMF·2H{sub 2}O (3), and [Mn{sub 3}(L){sub 2}(py){sub 4}(H{sub 2}O)]·H{sub 2}O (4) (H{sub 3}L=4,4′,4′-nitrilotribenzoic acid, DMF=dimethylformamide, DEF=N,N-diethylformamide, py=pyridine). These four compounds were fully characterized by single-crystal X-ray diffraction, showing interesting SBUs variations. For compound 1, it displays a (3,6)-connected kgd net with wheel [Mn{sub 6}] cluster serving as SBU, whereas in 2, the sequence of Mn{sub 3}(COO){sub 9}(EtOH){sub 2} is repeated by inversion centers located between Mn1 and Mn3 to form an infinite Mn-carboxylate chain, which are further interlinked by L{sup 3−} ligands to form a 3D architecture. In 3, the pentanuclear Mn{sub 5}(CO{sub 2}){sub 12} clusters are interlinked to form a layer, which are further pillared by L{sup 3−} to generate a 3D network. Compound 4 has a (3,6)-connected network in which the SBU is a linear trimeric Mn{sub 3}(COO){sub 6}(py){sub 4}(H{sub 2}O) cluster. In addition, the thermal stabilities, X-ray powder diffraction of all the compounds were studied, photoluminescence behaviors of compounds 1, 3 and 4 are discussed. - Graphical abstract: Supramolecular assembly of C{sub 3}-symmetric ligand 4,4′,4″-nitrilotribenzoic acid (H{sub 3}L) with Mn{sup II} through varying auxiliary solvents of the medium resulted in the formation of diversified multinuclear Mn{sup II} subunits in four new coordination polymers. The results exhibit the structures of Mn-SBUs in these

Subclassification of Recursive Partitioning Analysis Class II Patients With Brain Metastases Treated Radiosurgically

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Masaaki, E-mail: BCD06275@nifty.com [Katsuta Hospital Mito GammaHouse, Hitachi-naka (Japan); Department of Neurosurgery, Tokyo Women' s Medical University Medical Center East, Tokyo (Japan); Sato, Yasunori [Clinical Research Center, Chiba University Graduate School of Medicine, Chiba (Japan); Serizawa, Toru [Tokyo Gamma Unit Center, Tsukiji Neurologic Clinic, Tokyo (Japan); Kawabe, Takuya [Katsuta Hospital Mito GammaHouse, Hitachi-naka (Japan); Department of Neurosurgery, Kyoto Prefectural University of Medicine Graduate School of Medical Sciences, Kyoto (Japan); Higuchi, Yoshinori [Department of Neurosurgery, Chiba University Graduate School of Medicine, Chiba (Japan); Nagano, Osamu [Gamma Knife House, Chiba Cardiovascular Center, Ichihara (Japan); Barfod, Bierta E. [Katsuta Hospital Mito GammaHouse, Hitachi-naka (Japan); Ono, Junichi [Gamma Knife House, Chiba Cardiovascular Center, Ichihara (Japan); Kasuya, Hidetoshi [Department of Neurosurgery, Tokyo Women' s Medical University Medical Center East, Tokyo (Japan); Urakawa, Yoichi [Katsuta Hospital Mito GammaHouse, Hitachi-naka (Japan)

2012-08-01

Purpose: Although the recursive partitioning analysis (RPA) class is generally used for predicting survival periods of patients with brain metastases (METs), the majority of such patients are Class II and clinical factors vary quite widely within this category. This prompted us to divide RPA Class II patients into three subclasses. Methods and Materials: This was a two-institution, institutional review board-approved, retrospective cohort study using two databases: the Mito series (2,000 consecutive patients, comprising 787 women and 1,213 men; mean age, 65 years [range, 19-96 years]) and the Chiba series (1,753 patients, comprising 673 female and 1,080 male patients; mean age, 65 years [range, 7-94 years]). Both patient series underwent Gamma Knife radiosurgery alone, without whole-brain radiotherapy, for brain METs during the same 10-year period, July 1998 through June 2008. The Cox proportional hazard model with a step-wise selection procedure was used for multivariate analysis. Results: In the Mito series, four factors were identified as favoring longer survival: Karnofsky Performance Status (90% to 100% vs. 70% to 80%), tumor numbers (solitary vs. multiple), primary tumor status (controlled vs. not controlled), and non-brain METs (no vs. yes). This new index is the sum of scores (0 and 1) of these four factors: RPA Class II-a, score of 0 or 1; RPA Class II-b, score of 2; and RPA Class II-c, score of 3 or 4. Next, using the Chiba series, we tested whether our index is valid for a different patient group. This new system showed highly statistically significant differences among subclasses in both the Mito series and the Chiba series (p < 0.001 for all subclasses). In addition, this new index was confirmed to be applicable to Class II patients with four major primary tumor sites, that is, lung, breast, alimentary tract, and urogenital organs. Conclusions: Our new grading system should be considered when designing future clinical trials involving brain MET

Utilization of protein-rich residues in biotechnological processes.

Science.gov (United States)

Pleissner, Daniel; Venus, Joachim

2016-03-01

A drawback of biotechnological processes, where microorganisms convert biomass constituents, such as starch, cellulose, hemicelluloses, lipids, and proteins, into wanted products, is the economic feasibility. Particularly the cost of nitrogen sources in biotechnological processes can make up a large fraction of total process expenses. To further develop the bioeconomy, it is of considerable interest to substitute cost-intensive by inexpensive nitrogen sources. The aim of this mini-review was to provide a comprehensive insight of utilization methods of protein-rich residues, such as fish waste, green biomass, hairs, and food waste. The methods described include (i) production of enzymes, (ii) recovery of bioactive compounds, and/or (iii) usage as nitrogen source for microorganisms in biotechnological processes. In this aspect, the utilization of protein-rich residues, which are conventionally considered as waste, allows the development of value-adding processes for the production of bioactive compounds, biomolecules, chemicals, and materials.

An improved crude oil atmospheric distillation process for energy integration: Part II: New approach for energy saving by use of residual heat

International Nuclear Information System (INIS)

Benali, Tahar; Tondeur, Daniel; Jaubert, Jean Noël

2012-01-01

In Part I of this paper, it was shown on thermodynamic grounds that introducing a flash in the preheating train of an atmospheric oil distillation process, together with an appropriate introduction of the resulting vapour into the column, could potentially bring substantial energy savings, by reducing the duty of the preheating furnace, by doing some pre-fractionation and by reducing the column irreversibilities. Part II expands on this idea by showing how this can be done while keeping the throughput and the product characteristics unchanged. The outcome is that placing several flashes after the heat exchangers and feeding the corresponding vapour streams to the appropriate trays of the column reduces the pumparound flows and the heat brought to the preheating train. The resulting heat deficit may then be compensated in an additional heat exchanger by using low level heat recuperated from the products of the distillation and/or imported from other processes. The use of this residual heat reduces the furnace duty by approximately an equivalent amount. Thus high level energy (fuel-gas burnt in the furnace) is replaced by residual low level heat. The simulation with an example flowsheet shows that the savings on fuel could be as high as 21%. - Highlights: ► Flash installation in the preheating train of the crude oil distillation process. ► Pumparound streams and heat sent to the preheating train are reduced. ► A high level heat deficit is induced and replaced by low level heat. ► Considerable energy savings and greenhouse gas emissions are achieved.

Calculus II For Dummies

CERN Document Server

Zegarelli, Mark

2012-01-01

An easy-to-understand primer on advanced calculus topics Calculus II is a prerequisite for many popular college majors, including pre-med, engineering, and physics. Calculus II For Dummies offers expert instruction, advice, and tips to help second semester calculus students get a handle on the subject and ace their exams. It covers intermediate calculus topics in plain English, featuring in-depth coverage of integration, including substitution, integration techniques and when to use them, approximate integration, and improper integrals. This hands-on guide also covers sequences and series, wit

Syntheses of polystyrene supported chelating resin containing the Schiff base derived from salicylaldehyde and triethylene tetramine and its copper(II), nickel(II), cobalt(II), iron(III), zinc(II), cadmium(II), molybdenum(VI), zirconium(IV) and uranium(VI) complexes

International Nuclear Information System (INIS)

Syamal, A.; Singh, M.M.

1998-01-01

A new polymer-anchored chelating ligand has been synthesized by the reaction of chloromethylated polystyrene (containing 0.94 mmol of Cl per gram of resin and 1% cross-linked with divinylbenzene) and the Schiff base derived from salicylaldehyde and triethylenetetramine. A new series of polystyrene supported, Cu(II), Ni(II), Co(II), Fe(III), Zn(II), Cd(II), Zr(IV), dioxomolybdenum (VI) and dioxouranium (VI) complexes of the formulae PS-LCu, PS-LNi, PS-LCo, PS-LFeCl.DMF, PS-LZn, PS-LCd, PS-LZr(OH) 2 . DMF, PS L MoO 2 and PS-LUO 2 (where PS-LH 2 = polymer-anchored Schiff base and DMF dimethyl-formamide) have been synthesized and characterised by elemental analysis, infrared, electronic spectra and magnetic susceptibility measurements. The complexes PS-LCu, PS-LNi and PS-LCo have square planar structure, PS-LFeCl.DMF, PS-LMoO 2 and PS-LUO 2 have octahedral structure, PS L Zn and PS-LCd are tetrahedral and PS-LZr(OH) 2 .DMF is pentagonal bipyramidal. The polymer-anchored Cu(II), Co(II) and Fe(III) complexes are paramagnetic while Ni(II), Zn(II), Cd(II), Zr(IV), dioxomolybdenum(VI) and dioxouranium(VI) complexes are diamagnetic. The negative shift of the v (C=N) (azomethine) and the positive shift of v (C--O)(phenolic) are indicative of ONNO donor behaviour of the polymer-anchored Schiff base. (author)

Residual stresses

International Nuclear Information System (INIS)

Sahotra, I.M.

2006-01-01

The principal effect of unloading a material strained into the plastic range is to create a permanent set (plastic deformation), which if restricted somehow, gives rise to a system of self-balancing within the same member or reaction balanced by other members of the structure., known as residual stresses. These stresses stay there as locked-in stresses, in the body or a part of it in the absence of any external loading. Residual stresses are induced during hot-rolling and welding differential cooling, cold-forming and extruding: cold straightening and spot heating, fabrication and forced fitting of components constraining the structure to a particular geometry. The areas which cool more quickly develop residual compressive stresses, while the slower cooling areas develop residual tensile stresses, and a self-balancing or reaction balanced system of residual stresses is formed. The phenomenon of residual stresses is the most challenging in its application in surface modification techniques determining endurance mechanism against fracture and fatigue failures. This paper discusses the mechanism of residual stresses, that how the residual stresses are fanned and what their behavior is under the action of external forces. Such as in the case of a circular bar under limit torque, rectangular beam under limt moment, reclaiming of shafts welds and peening etc. (author)

Predictions and measurements of residual stress in repair welds in plates

Energy Technology Data Exchange (ETDEWEB)

Brown, T.B. [Mitsui Babcock Energy Limited, Technology and Engineering, Porterfield Road, Renfrew, PA4 8DJ, Scotland (United Kingdom)]. E-mail: bbrown@mitsuibabcock.com; Dauda, T.A. [Mitsui Babcock Energy Limited, Technology and Engineering, Porterfield Road, Renfrew, PA4 8DJ, Scotland (United Kingdom); Truman, C.E. [Department of Mechanical Engineering, University of Bristol, Bristol BS8 1TR, England (United Kingdom); Smith, D.J. [Department of Mechanical Engineering, University of Bristol, Bristol BS8 1TR (United Kingdom); Memhard, D. [Fraunhofer-Institut fuer Werkstoffmechanik, Freiburg (Germany); Pfeiffer, W. [Fraunhofer-Institut fuer Werkstoffmechanik, Freiburg (Germany)

2006-11-15

This paper presents the work, from the European Union FP-5 project ELIXIR, on a series of rectangular repair welds in P275 and S690 steels to validate the numerical modelling techniques used in the determination of the residual stresses generated during the repair process. The plates were 1,000 mm by 800 mm with thicknesses of 50 and 100 mm. The repair welds were 50%, 75% and 100% through the plate thickness. The repair welds were modelled using the finite element method to make predictions of the as-welded residual stress distributions. These predictions were compared with surface-strain measurements made on the parent plates during welding and found to be in good agreement. Through-thickness residual stress measurements were obtained from the test plates through, and local to, the weld repairs using the deep hole drilling technique. Comparisons between the measurements and the finite element predictions generally showed good agreement, thus providing confidence in the method.

Predictions and measurements of residual stress in repair welds in plates

International Nuclear Information System (INIS)

Brown, T.B.; Dauda, T.A.; Truman, C.E.; Smith, D.J.; Memhard, D.; Pfeiffer, W.

2006-01-01

This paper presents the work, from the European Union FP-5 project ELIXIR, on a series of rectangular repair welds in P275 and S690 steels to validate the numerical modelling techniques used in the determination of the residual stresses generated during the repair process. The plates were 1,000 mm by 800 mm with thicknesses of 50 and 100 mm. The repair welds were 50%, 75% and 100% through the plate thickness. The repair welds were modelled using the finite element method to make predictions of the as-welded residual stress distributions. These predictions were compared with surface-strain measurements made on the parent plates during welding and found to be in good agreement. Through-thickness residual stress measurements were obtained from the test plates through, and local to, the weld repairs using the deep hole drilling technique. Comparisons between the measurements and the finite element predictions generally showed good agreement, thus providing confidence in the method

co-removal with nucleated Cu(II) precipitation in continuous-flow ...

African Journals Online (AJOL)

A compact nucleated precipitation technology using two fluidised sand columns in series was developed to pretreat model metal-plating wastewater containing high concentrations of Cu(II) and Cr(VI). Since either Cu(II) precipitation or Cr(VI) co-removal with Cu(II) precipitation was found to be highly pH dependent in batch ...

Minimal Residual Disease in Acute Myeloid Leukemia: Still a Work in Progress?

Directory of Open Access Journals (Sweden)

Federico Mosna

2017-06-01

Full Text Available Minimal residual disease evaluation refers to a series of molecular and immunophenotypical techniques aimed at detecting submicroscopic disease after therapy. As such, its application in acute myeloid leukemia has greatly increased our ability to quantify treatment response, and to determine the chemosensitivity of the disease, as the final product of the drug schedule, dose intensity, biodistribution, and the pharmakogenetic profile of the patient. There is now consistent evidence for the prognostic power of minimal residual disease evaluation in acute myeloid leukemia, which is complementary to the baseline prognostic assessment of the disease. The focus for its use is therefore shifting to individualize treatment based on a deeper evaluation of chemosensitivity and residual tumor burden. In this review, we will summarize the results of the major clinical studies evaluating minimal residual disease in acute myeloid leukemia in adults in recent years and address the technical and practical issues still hampering the spread of these techniques outside controlled clinical trials. We will also briefly speculate on future developments and offer our point of view, and a word of caution, on the present use of minimal residual disease measurements in “real-life” practice. Still, as final standardization and diffusion of the methods are sorted out, we believe that minimal residual disease will soon become the new standard for evaluating response in the treatment of acute myeloid leukemia.

Cross-correlation of long-range correlated series

International Nuclear Information System (INIS)

Arianos, Sergio; Carbone, Anna

2009-01-01

A method for estimating the cross-correlation C xy (τ) of long-range correlated series x(t) and y(t), at varying lags τ and scales n, is proposed. For fractional Brownian motions with Hurst exponents H 1 and H 2 , the asymptotic expression for C xy (τ) depends only on the lag τ (wide-sense stationarity) and scales as a power of n with exponent H 1 +H 2 for τ→0. The method is illustrated on: (i) financial series, to show the leverage effect; (ii) genomic sequences, to estimate the correlations between structural parameters along the chromosomes

Oral Assessment Kit, Levels II & III. Draft.

Science.gov (United States)

Agrelo-Gonzalez, Maria; And Others

The assessment packet includes a series of oral tests to help develop speaking as an integral part of second language instruction at levels II and III. It contains: 8 mini-tests for use at level II; 9 mini-tests for use at level III; a rating scale and score sheet masters for evaluating performance on these tests; and a collection of suggested…

Evaluating ILI Advanced Series through Bloom's Revised Taxonomy

OpenAIRE

MAHDIPOUR, Nasim; SADEGHI, Bahador

2015-01-01

Abstract. This study investigated Iran Language Institute Advanced Series in terms of learning objectives based on Bloom's Revised Taxonomy. It examined the cognitive, affective and psychomotor domains to see how the critical thinking skills are used and to what extent these books are different from each other. For these purposes, the frequencies, percentages and Standard Residual were analyzed. Results revealed that the lower-order cognitive skills (i.e. remembering, understanding and applyi...

Residual stresses

International Nuclear Information System (INIS)

Macherauch, E.

1978-01-01

Residual stresses are stresses which exist in a material without the influence of external powers and moments. They come into existence when the volume of a material constantly changes its form as a consequence of mechanical, thermal, and/or chemical processes and is hindered by neighbouring volumes. Bodies with residual stress are in mechanical balance. These residual stresses can be manifested by means of all mechanical interventions disturbing this balance. Acoustical, optical, radiological, and magnetical methods involving material changes caused by residual stress can also serve for determining residual stress. Residual stresses have an ambivalent character. In technical practice, they are feared and liked at the same time. They cause trouble because they can be the cause for unexpected behaviour of construction elements. They are feared since they can cause failure, in the worst case with catastrophical consequences. They are appreciated, on the other hand, because, in many cases, they can contribute to improvements of the material behaviour under certain circumstances. But they are especially liked for their giving convenient and (this is most important) mostly uncontrollable explanations. For only in very few cases we have enough knowledge and possibilities for the objective evaluation of residual stresses. (orig.) [de

Residual stresses determination in an 8 mm Incoloy 800H weld via neutron diffraction

International Nuclear Information System (INIS)

Chen, Xizhang; Zhang, Shu Yan; Wang, Jingjun; Kelleher, Joe F.

2015-01-01

Highlights: • Stress through thickness at 5 mm from weld centerline indicates a “U” distribution. • Declining of tensile stress through thickness occurred at weld centerline. • Residual stress between layers is the lowest. - Abstract: To investigate the distribution of residual stresses, the 8 mm 800H alloy was joined by multi-layer butt TIG process. Residual stresses in the longitudinal, transverse and normal directions were measured via neutron diffraction. These residual stress measurements were taken at a series of points 2 mm below the top surface, covering the fusion zone, heat affected zone (HAZ) and base metal. In addition, two lines of longitudinal residual stress values at the weld centerline and 5 mm from weld centerline through thickness were measured. Results show that both the longitudinal and transverse stresses from the weld centerline to base metal are mainly tensile stresses. The longitudinal residual stress is the largest, with a maximum value of 330 MPa. As for the normal residual stress, the weld zone shows tensile stress, while the HAZ shows compressive stress. The middle of the thickness shows compressive residual stress along the thickness direction. The longitudinal stress at weld centerline through thickness reveals the interlayer heat treat effects leads to a declining of tensile stress. While the stress at 5 mm from weld centerline indicates a “U” distribution due to the mixed microstructure close to fusion line. With the increasing distance from weld seam, the residual stress decreases gradually

Filtrates & Residues: Experimental Work with Tin (II) Chloride in a High School.

Science.gov (United States)

Sanchez, Manuela Martin

1988-01-01

Presents a high school chemistry lab experiment using tin (II) chloride to explore the concepts of hydrolysis, Le Chatelier's principle, and electrolysis. Presents methodology and the chemistry involved. Offers questions for the students. (MVL)

Review of Alternative Management Options of Vegetable Crop Residues to Reduce Nitrate Leaching in Intensive Vegetable Rotations

Directory of Open Access Journals (Sweden)

Laura Agneessens

2014-12-01

Full Text Available Vegetable crop residues take a particular position relative to arable crops due to often large amounts of biomass with a N content up to 200 kg N ha−1 left behind on the field. An important amount of vegetable crops are harvested during late autumn and despite decreasing soil temperatures during autumn, high rates of N mineralization and nitrification still occur. Vegetable crop residues may lead to considerable N losses through leaching during winter and pose a threat to meeting water quality objectives. However, at the same time vegetable crop residues are a vital link in closing the nutrient and organic matter cycle of soils. Appropriate and sustainable management is needed to harness the full potential of vegetable crop residues. Two fundamentally different crop residue management strategies to reduce N losses during winter in intensive vegetable rotations are reviewed, namely (i on-field management options and modifications to crop rotations and (ii removal of crop residues, followed by a useful and profitable application.

Readings on American Society. The Audio-Lingual Literary Series II.

Science.gov (United States)

Imamura, Shigeo; Ney, James W.

This text contains 11 lessons based on an adaptation of the 1964 essay "Automation: Road to Lifetime Jobs" by A.H. Raskin and 14 lessons based on an adaptation of John Fischer's 1948 essay "Unwritten Rules of American Politics." The format of the book and the lessons is the same as that of the other volumes of "The Audio-Lingual Literary Series."…

Evaluation of residue-residue contact predictions in CASP9

KAUST Repository

Monastyrskyy, Bohdan

2011-01-01

This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures being the precision in recognizing contacts and the difference between the distribution of distances in the subset of predicted contact pairs versus all pairs of residues in the structure. The emphasis is placed on the prediction of long-range contacts (i.e., contacts between residues separated by at least 24 residues along sequence) in target proteins that cannot be easily modeled by homology. Although there is considerable activity in the field, the current analysis reports no discernable progress since CASP8.

Structural and sequence features of two residue turns in beta-hairpins.

Science.gov (United States)

Madan, Bharat; Seo, Sung Yong; Lee, Sun-Gu

2014-09-01

Beta-turns in beta-hairpins have been implicated as important sites in protein folding. In particular, two residue β-turns, the most abundant connecting elements in beta-hairpins, have been a major target for engineering protein stability and folding. In this study, we attempted to investigate and update the structural and sequence properties of two residue turns in beta-hairpins with a large data set. For this, 3977 beta-turns were extracted from 2394 nonhomologous protein chains and analyzed. First, the distribution, dihedral angles and twists of two residue turn types were determined, and compared with previous data. The trend of turn type occurrence and most structural features of the turn types were similar to previous results, but for the first time Type II turns in beta-hairpins were identified. Second, sequence motifs for the turn types were devised based on amino acid positional potentials of two-residue turns, and their distributions were examined. From this study, we could identify code-like sequence motifs for the two residue beta-turn types. Finally, structural and sequence properties of beta-strands in the beta-hairpins were analyzed, which revealed that the beta-strands showed no specific sequence and structural patterns for turn types. The analytical results in this study are expected to be a reference in the engineering or design of beta-hairpin turn structures and sequences. © 2014 Wiley Periodicals, Inc.

Off-line tracking of series parameters in distribution systems using AMI data

Energy Technology Data Exchange (ETDEWEB)

Williams, Tess L.; Sun, Yannan; Schneider, Kevin

2016-05-01

Electric distribution systems have historically lacked measurement points, and equipment is often operated to its failure point, resulting in customer outages. The widespread deployment of sensors at the distribution level is enabling observability. This paper presents an off-line parameter value tracking procedure that takes advantage of the increasing number of measurement devices being deployed at the distribution level to estimate changes in series impedance parameter values over time. The tracking of parameter values enables non-diurnal and non-seasonal change to be flagged for investigation. The presented method uses an unbalanced Distribution System State Estimation (DSSE) and a measurement residual-based parameter estimation procedure. Measurement residuals from multiple measurement snapshots are combined in order to increase the effective local redundancy and improve the robustness of the calculations in the presence of measurement noise. Data from devices on the primary distribution system and from customer meters, via an AMI system, form the input data set. Results of simulations on the IEEE 13-Node Test Feeder are presented to illustrate the proposed approach applied to changes in series impedance parameters. A 5% change in series resistance elements can be detected in the presence of 2% measurement error when combining less than 1 day of measurement snapshots into a single estimate.

Current status of experimental breeder reactor-II [EBR-II] shutdown planning

International Nuclear Information System (INIS)

McDermott, M. D.; Griffin, C. D.; Michelbacher, J. A.; Earle, O. K.

2000-01-01

The Experimental Breeder Reactor--II (EBR-II) at Argonne National Laboratory--West (ANL-W) in Idaho, was shutdown in September, 1994 as mandated by the US Department of Energy. This sodium cooled reactor had been in service since 1964, and was to be placed in an industrially and radiologically safe condition for ultimate decommissioning. The deactivation of a liquid metal reactor presents unique concerns. The first major task associated with the project was the removal of all fueled assemblies. In addition, sodium must be drained from systems and processed for ultimate disposal. Residual quantities of sodium remaining in systems must be deactivated or inerted to preclude future hazards associated with pyrophoricity and generation of potentially explosive hydrogen gas. A Sodium Process Facility was designed and constructed to react the elemental sodium from the EBR-II primary and secondary systems to sodium hydroxide for disposal. This facility has a design capacity to allow the reaction of the complete inventory of sodium at ANL-W in less than two years. Additional quantities of sodium from the Fermi-1 reactor are also being treated at the Sodium Process Facility. The sodium environment and the EBR-II configuration, combined with the radiation and contamination associated with thirty years of reactor operation, posed problems specific to liquid metal reactor deactivation. The methods being developed and implemented at EBR-II can be applied to other similar situations in the US and abroad

Evaluation of mass transport property using natural uranium-series and thorium-series nuclides in the Toki Granite

International Nuclear Information System (INIS)

Hama, Katsuhiro

2016-07-01

The Mizunami Underground Research Laboratory (MIU) project is being pursued by the Japan Atomic Energy Agency (JAEA) to enhance the reliability of relevant disposal technologies through investigations of the deep geological environment within the host crystalline rock at Mizunami City in Gifu Prefecture, central Japan. The project proceeds in three overlapping phases, 'Phase I: Surface-based investigation Phase', 'Phase II: Construction Phase' and 'Phase III: Operation Phase'. As a part of the Phase III investigation, the mass transport property has been evaluated by using natural uranium-series and thorium-series nuclides in the Toki Granite. In this report, the compilation of existing data and preliminary evaluation was carried out. (author)

Biosynthesis of D-alanyl-lipoteichoic acid by Lactobacillus casei: interchain transacylation of D-alanyl ester residues

International Nuclear Information System (INIS)

Childs, W.C. III; Taron, D.J.; Neuhaus, F.C.

1985-01-01

Lipoteichoic acid (LTA) from Lactobacillus casei contains poly(glycerophosphate) substituted with D-alanyl ester residues. The distribution of these residues in the in vitro-synthesized polymer is uniform. Esterification of LTA with D-alanine may occur in one of two modes: (i) addition at random or (ii) addition at a defined locus in the poly(glycerophosphate) chain followed by redistribution of the ester residues. A time-dependent transacylation of these residues from D-[ 14 C]alanyl-lipophilic LTA to hydrophilic acceptor was observed. The hydrophilic acceptor was characterized as D-alanyl-hydrophilic LTA. This transacylation requires neither ATP nor the D-alanine incorporation system, i.e., the D-alanine activating enzyme and D-alanine:membrane acceptor ligase. No evidence for an enzyme-catalyzed transacylation reaction was observed. The authors propose that this process of transacylation may be responsible for the redistribution of D-alanyl residues after esterification to the poly(glycerophosphate). As a result, it is difficult to distinguish between these proposed modes of addition

Synthesis, characterization and Antioxidant evaluation of Cu (II ...

African Journals Online (AJOL)

MBI

2013-06-25

Jun 25, 2013 ... dependent reversible translocation of Ni (II) ion from octahedral to square planar site in ditopic ligand system (Mukhopadhyay et al., 2003). Other report on the ... crystalline solid was formed which was collected ... unit-cell refinement, and data reduction were all .... leaving behind the metal oxide as residue.

Natural radioactivity in petroleum residues

International Nuclear Information System (INIS)

Gazineu, M.H.P.; Gazineu, M.H.P.; Hazin, C.A.; Hazin, C.A.

2006-01-01

The oil extraction and production industry generates several types of solid and liquid wastes. Scales, sludge and water are typical residues that can be found in such facilities and that can be contaminated with Naturally Occurring Radioactive Material (N.O.R.M.). As a result of oil processing, the natural radionuclides can be concentrated in such residues, forming the so called Technologically Enhanced Naturally Occurring Radioactive Material, or T.E.N.O.R.M.. Most of the radionuclides that appear in oil and gas streams belong to the 238 U and 232 Th natural series, besides 40 K. The present work was developed to determine the radionuclide content of scales and sludge generated during oil extraction and production operations. Emphasis was given to the quantification of 226 Ra, 228 Ra and 40 K since these radionuclides,are responsible for most of the external exposure in such facilities. Samples were taken from the P.E.T.R.O.B.R.A.S. unity in the State of Sergipe, in Northeastern Brazil. They were collected directly from the inner surface of water pipes and storage tanks, or from barrels stored in the waste storage area of the E and P unit. The activity concentrations for 226 Ra, 228 Ra and 40 K were determined by using an HP Ge gamma spectrometric system. The results showed concentrations ranging from 42.7 to 2,110.0 kBq/kg for 226 Ra, 40.5 to 1,550.0 kBq/kg for 228 Ra, and 20.6 to 186.6 kBq/kg for 40 K. The results highlight the importance of determining the activity concentration of those radionuclides in oil residues before deciding whether they should be stored or discarded to the environment. (authors)

Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II

Science.gov (United States)

Maupin, C. Mark; Castillo, Norberto; Taraphder, Srabani; Tu, Chingkuang; McKenna, Robert; Silverman, David N.; Voth, Gregory A.

2011-01-01

In human carbonic anhydrase II (HCA II) the mutation of position 64 from histidine to alanine (H64A) disrupts the rate limiting proton transfer (PT) event, resulting in a reduction of the catalytic activity of the enzyme as compared to the wild-type. Potential of mean force (PMF) calculations utilizing the multistate empirical valence bond (MS-EVB) methodology for H64A HCA II give a PT free energy barrier significantly higher than that found in the wild-type enzyme. This high barrier, determined in the absence of exogenous buffer and assuming no additional ionizable residues in the PT pathway, indicates the likelihood of alternate enzyme pathways that utilize either ionizable enzyme residues (self-rescue) and/or exogenous buffers (chemical rescue). It has been shown experimentally that the catalytic activity of H64A HCA II can be chemically rescued to near wild type levels by the addition of the exogenous buffer 4-methylimidazole (4MI). Crystallographic studies have identified two 4MI binding sites, yet site specific mutations intended to disrupt 4MI binding have demonstrated these sites to be non-productive. In the present work MS-EVB simulations show that binding of 4MI near Thr199 in the H64A HCA II mutant, a binding site determined by NMR spectroscopy, results in a viable chemical rescue pathway. Additional viable rescue pathways are also identified where 4MI acts as a proton transport intermediary from the active site to ionizable residues on the rim of the active site, revealing a probable mode of action for the chemical rescue pathway PMID:21452838

77 FR 42467 - Special Local Regulations; Fajardo Offshore Festival II, Fajardo, PR

Science.gov (United States)

2012-07-19

... 1625-AA08 Special Local Regulations; Fajardo Offshore Festival II, Fajardo, PR AGENCY: Coast Guard, DHS... Festival II, a series of high-speed boat races. The event is scheduled to take place on Sunday, September... the Fajardo Offshore Festival II. C. Discussion of Proposed Rule On September 16, 2012, Puerto Rico...

Effects of Adopting Different Kinds of Collecting Method for Years on Film Residual Coefficient and Maize Yields

Directory of Open Access Journals (Sweden)

TANG Wen-xue

2017-03-01

Full Text Available Wide usage of mulching technology has increased crop yields, but the large amounts of mulching film residue resulting from widespread use of plastic film in China has brought about a series of pollution hazards. Based on a 4-year (2011-2014 long-term experiment, the effects of different kinds of collecting mothod (zero plastic film residues, conventional plastic film residues, whole plastic film residues remainded on plastic film residues, residual coefficient and maize yield were explored. Plastic film residues mainly remained in 0~10 cm, 10~20 cm soil layers. In 0~30 cm soil layers, the two types of mulch residues (>25 cm2, 4~25 cm2 under zero plastic film residues treatment were much less than conventional plastic film residues and whole plastic film residues remainded treatments, no significant differences were observed in the mulch residues (2 among 3 treatments. After maize harvest, the amount of plastic film residues under zero plastic film residues, conventional plastic film residues and whole plastic film residues remainded treatments were 52.71, 80.85 kg·hm-2 and 152.65 kg·hm-2, respectively, the residual coefficient for zero plastic film residues, conventional plastic film residues and whole plastic film residues remainded treatments were -9.45%, 8.53% and 54.42%, respectively. The stem diameter, ear length, ear width, ear row number, grain number per row and 100-grain weight of maize decreased with the increase of residual film amount. Compared with the conventional plastic film residues, the mean grain yield of whole plastic film residues remainded treatment decreased by 15.08%, whereas the zero plastic film residues treatment increased by 4.70%. The plastic film residues, residual coefficient and maize yield were comprehensively analyzed, the conventional plastic film residues practice should be adopted currently without appropriate plastic film residues collector. But from the long-term development, we should speed up the

Time-Series Analysis: A Cautionary Tale

Science.gov (United States)

Damadeo, Robert

2015-01-01

Time-series analysis has often been a useful tool in atmospheric science for deriving long-term trends in various atmospherically important parameters (e.g., temperature or the concentration of trace gas species). In particular, time-series analysis has been repeatedly applied to satellite datasets in order to derive the long-term trends in stratospheric ozone, which is a critical atmospheric constituent. However, many of the potential pitfalls relating to the non-uniform sampling of the datasets were often ignored and the results presented by the scientific community have been unknowingly biased. A newly developed and more robust application of this technique is applied to the Stratospheric Aerosol and Gas Experiment (SAGE) II version 7.0 ozone dataset and the previous biases and newly derived trends are presented.

Deactivation of the EBR-II complex

Energy Technology Data Exchange (ETDEWEB)

Michelbacher, J.A.; Earle, O.K.; Henslee, S.P. [and others

1997-12-31

In January of 1994, the Department of Energy mandated the termination of the Integral Fast Reactor (IFR) Program, effective October 1, 1994. To comply with this decision, Argonne National Laboratory-West (ANL-W) prepared a plan providing detailed requirements to place the Experimental Breeder Reactor-II (EBR-II) in a radiologically and industrially safe condition, including removal of all irradiated fuel assemblies from the reactor plant, and removal and stabilization of the primary and secondary sodium, a liquid metal used to transfer heat within the reactor plant. The ultimate goal of the deactivation process is to place the EBR-II complex in a stable condition until a decontamination and decommissioning (D&D) plan can be prepared, thereby minimizing requirements for maintenance and surveillance and maximizing the amount of time for radioactive decay. The final closure state will be achieved in full compliance with federal, state and local environmental, safety, and health regulations and requirements. The decision to delay the development of a detailed D&D plan has necessitated this current action. The EBR-II is a pool-type reactor. The primary system contains approximately 87,000 gallons of sodium, while the secondary system has 13,000 gallons. In order to properly dispose of the sodium in compliance with the Resource Conservation and Recovery Act (RCRA), a facility has been built to react the sodium to a dry carbonate powder in a two stage process. Deactivation of a liquid metal fast breeder reactor (LMFBR) presents unique concerns. Residual amounts of sodium remaining in the primary and secondary systems must be either reacted or inerted to preclude future concerns with sodium-air reactions that generate explosive mixtures of hydrogen and leave corrosive compounds. Residual amounts of sodium on components will effectively {open_quotes}solder{close_quotes} components in place, making future operation or removal unfeasible.

Deactivation of the EBR-II complex

International Nuclear Information System (INIS)

Michelbacher, J.A.; Earle, O.K.; Henslee, S.P.

1997-01-01

In January of 1994, the Department of Energy mandated the termination of the Integral Fast Reactor (IFR) Program, effective October 1, 1994. To comply with this decision, Argonne National Laboratory-West (ANL-W) prepared a plan providing detailed requirements to place the Experimental Breeder Reactor-II (EBR-II) in a radiologically and industrially safe condition, including removal of all irradiated fuel assemblies from the reactor plant, and removal and stabilization of the primary and secondary sodium, a liquid metal used to transfer heat within the reactor plant. The ultimate goal of the deactivation process is to place the EBR-II complex in a stable condition until a decontamination and decommissioning (D ampersand D) plan can be prepared, thereby minimizing requirements for maintenance and surveillance and maximizing the amount of time for radioactive decay. The final closure state will be achieved in full compliance with federal, state and local environmental, safety, and health regulations and requirements. The decision to delay the development of a detailed D ampersand D plan has necessitated this current action. The EBR-II is a pool-type reactor. The primary system contains approximately 87,000 gallons of sodium, while the secondary system has 13,000 gallons. In order to properly dispose of the sodium in compliance with the Resource Conservation and Recovery Act (RCRA), a facility has been built to react the sodium to a dry carbonate powder in a two stage process. Deactivation of a liquid metal fast breeder reactor (LMFBR) presents unique concerns. Residual amounts of sodium remaining in the primary and secondary systems must be either reacted or inerted to preclude future concerns with sodium-air reactions that generate explosive mixtures of hydrogen and leave corrosive compounds. Residual amounts of sodium on components will effectively open-quotes solderclose quotes components in place, making future operation or removal unfeasible

Long Series of GNSS Integrated Precipitable Water as a Climate Change Indicator

Directory of Open Access Journals (Sweden)

Kruczyk Michał

2015-12-01

Full Text Available This paper investigates information potential contained in tropospheric delay product for selected International GNSS Service (IGS stations in climatologic research. Long time series of daily averaged Integrated Precipitable Water (IPW can serve as climate indicator. The seasonal model of IPW change has been adjusted to the multi-year series (by the least square method. Author applied two modes: sinusoidal and composite (two or more oscillations. Even simple sinusoidal seasonal model (of daily IPW values series clearly represents diversity of world climates. Residuals in periods from 10 up to 17 years are searched for some long-term IPW trend – self-evident climate change indicator. Results are ambiguous: for some stations or periods IPW trends are quite clear, the following years (or the other station not visible. Method of fitting linear trend to IPW series does not influence considerably the value of linear trend. The results are mostly influenced by series length, completeness and data (e.g. meteorological quality. The longer and more homogenous IPW series, the better chance to estimate the magnitude of climatologic IPW changes.

Determination of static and dynamic reactivity effects in KNK II

International Nuclear Information System (INIS)

Essig, C.

1987-11-01

In the frame of a pre-study of the KNK II test program two series of experiments related to inherent safety characteristics of sodium cooled breeder reactors have been elaborated, which are one basis for the performance of experiments of the Loss Of Flow (LOF) type and the Loss Of Heat Sink (LOHS) type. Tests of this type at KNK II would -different from the earlier tests at RAPSODIE and EBR-II- provide a demonstration of the inherently safe performance in case of a significantly non-zero Doppler effect. With a suitable execution, the foreseen series of experiments allow, as explained in this report, a substantial separation of the reactivity contributions and the determination of reactivity effects, i.e. the time constants of the recouplings. The performance and evaluation of these experiments with respect to the inherent safety potential will once more underline the distinguished role of KNK II for the development of fast breeders [de

Conformation-specific spectroscopy of capped glutamine-containing peptides: role of a single glutamine residue on peptide backbone preferences.

Science.gov (United States)

Walsh, Patrick S; Dean, Jacob C; McBurney, Carl; Kang, Hyuk; Gellman, Samuel H; Zwier, Timothy S

2016-04-28

The conformational preferences of a series of short, aromatic-capped, glutamine-containing peptides have been studied under jet-cooled conditions in the gas phase. This work seeks a bottom-up understanding of the role played by glutamine residues in directing peptide structures that lead to neurodegenerative diseases. Resonant ion-dip infrared (RIDIR) spectroscopy is used to record single-conformation infrared spectra in the NH stretch, amide I and amide II regions. Comparison of the experimental spectra with the predictions of calculations carried out at the DFT M05-2X/6-31+G(d) level of theory lead to firm assignments for the H-bonding architectures of a total of eight conformers of four molecules, including three in Z-Gln-OH, one in Z-Gln-NHMe, three in Ac-Gln-NHBn, and one in Ac-Ala-Gln-NHBn. The Gln side chain engages actively in forming H-bonds with nearest-neighbor amide groups, forming C8 H-bonds to the C-terminal side, C9 H-bonds to the N-terminal side, and an amide-stacked geometry, all with an extended (C5) peptide backbone about the Gln residue. The Gln side chain also stabilizes an inverse γ-turn in the peptide backbone by forming a pair of H-bonds that bridge the γ-turn and stabilize it. Finally, the entire conformer population of Ac-Ala-Gln-NHBn is funneled into a single structure that incorporates the peptide backbone in a type I β-turn, stabilized by the Gln side chain forming a C7 H-bond to the central amide group in the β-turn not otherwise involved in a hydrogen bond. This β-turn backbone structure is nearly identical to that observed in a series of X-(AQ)-Y β-turns in the protein data bank, demonstrating that the gas-phase structure is robust to perturbations imposed by the crystalline protein environment.

Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior

Directory of Open Access Journals (Sweden)

Julia Brasch

2018-05-01

Full Text Available Summary: Type II cadherins are cell-cell adhesion proteins critical for tissue patterning and neuronal targeting but whose molecular binding code remains poorly understood. Here, we delineate binding preferences for type II cadherin cell-adhesive regions, revealing extensive heterophilic interactions between specific pairs, in addition to homophilic interactions. Three distinct specificity groups emerge from our analysis with members that share highly similar heterophilic binding patterns and favor binding to one another. Structures of adhesive fragments from each specificity group confirm near-identical dimer topology conserved throughout the family, allowing interface residues whose conservation corresponds to specificity preferences to be identified. We show that targeted mutation of these residues converts binding preferences between specificity groups in biophysical and co-culture assays. Our results provide a detailed understanding of the type II cadherin interaction map and a basis for defining their role in tissue patterning and for the emerging importance of their heterophilic interactions in neural connectivity. : Type II cadherins are a family of vertebrate cell adhesion proteins expressed primarily in the CNS. Brasch et al. measure binding between adhesive fragments, revealing homophilic and extensive selective heterophilic binding with specificities that define groups of similar cadherins. Structures reveal common adhesive dimers, with residues governing cell-adhesive specificity. Keywords: cell adhesion, crystal structure, hemophilic specificity, heterophilic specificity, neural patterning, synaptic targeting, cadherin

Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

Science.gov (United States)

Dobrova, B N; Dimoglo, A S; Chumakov, Y M

2000-08-01

The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

Time series behaviour of the number of Air Asia passengers: A distributional approach

Science.gov (United States)

Asrah, Norhaidah Mohd; Djauhari, Maman Abdurachman

2013-09-01

The common practice to time series analysis is by fitting a model and then further analysis is conducted on the residuals. However, if we know the distributional behavior of time series, the analyses in model identification, parameter estimation, and model checking are more straightforward. In this paper, we show that the number of Air Asia passengers can be represented as a geometric Brownian motion process. Therefore, instead of using the standard approach in model fitting, we use an appropriate transformation to come up with a stationary, normally distributed and even independent time series. An example in forecasting the number of Air Asia passengers will be given to illustrate the advantages of the method.

Comprehensive RNA Polymerase II Interactomes Reveal Distinct and Varied Roles for Each Phospho-CTD Residue

Directory of Open Access Journals (Sweden)

Kevin M. Harlen

2016-06-01

Full Text Available Transcription controls splicing and other gene regulatory processes, yet mechanisms remain obscure due to our fragmented knowledge of the molecular connections between the dynamically phosphorylated RNA polymerase II (Pol II C-terminal domain (CTD and regulatory factors. By systematically isolating phosphorylation states of the CTD heptapeptide repeat (Y1S2P3T4S5P6S7, we identify hundreds of protein factors that are differentially enriched, revealing unappreciated connections between the Pol II CTD and co-transcriptional processes. These data uncover a role for threonine-4 in 3′ end processing through control of the transition between cleavage and termination. Furthermore, serine-5 phosphorylation seeds spliceosomal assembly immediately downstream of 3′ splice sites through a direct interaction with spliceosomal subcomplex U1. Strikingly, threonine-4 phosphorylation also impacts splicing by serving as a mark of co-transcriptional spliceosome release and ensuring efficient post-transcriptional splicing genome-wide. Thus, comprehensive Pol II interactomes identify the complex and functional connections between transcription machinery and other gene regulatory complexes.

Structural characterization of peptides derived from prosomatostatins I and II isolated from the pancreatic islets of two species of teleostean fish: the daddy sculpin and the flounder.

Science.gov (United States)

Conlon, J M; Davis, M S; Falkmer, S; Thim, L

1987-11-02

The primary structures of three peptides from extracts from the pancreatic islets of the daddy sculpin (Cottus scorpius) and three analogous peptides from the islets of the flounder (Platichthys flesus), two species of teleostean fish, have been determined by automated Edman degradation. The structures of the flounder peptides were confirmed by fast-atom bombardment mass spectrometry. The peptides show strong homology to residues (49-60), (63-96) and (98-125) of the predicted sequence of preprosomatostatin II from the anglerfish (Lophius americanus). The amino acid sequences of the peptides suggest that, in the sculpin, prosomatostatin II is cleaved at a dibasic amino acid residue processing site (corresponding to Lys61-Arg62 in anglerfish preprosomatostatin II). The resulting fragments are further cleaved at monobasic residue processing sites (corresponding to Arg48 and Arg97 in anglerfish preprosomatostatin II). In the flounder the same dibasic residue processing site is utilised but cleavage at different monobasic sites takes place (corresponding to Arg50 and Arg97 in anglerfish preprosomatostatin II). A peptide identical to mammalian somatostatin-14 was also isolated from the islets of both species and is presumed to represent a cleavage product of prosomatostatin I.

Residual stress determination of direct metal laser sintered (DMLS) inconel specimens and parts

Energy Technology Data Exchange (ETDEWEB)

Watkins, Thomas R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Unocic, Kinga A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Maziasz, Philip J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bunn, Jeffrey R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Fancher, Christopher M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Peralta, Alonso [Honeywell Aerospace, Phoenix, AZ (United States); Sundarraj, Suresh [Honeywell Aerospace, Phoenix, AZ (United States); Neumann, James [Honeywell Aerospace, Phoenix, AZ (United States)

2018-01-01

Residual stress determinations and microstructural studies were performed on a series of Inconel 718Plus prisms built using Direct Metal Laser Sintering (DMLS) at Honeywell Aerospace (hereafter also referred to as Honeywell). The results are being used to validate and improve existing models at Honeywell, and ultimately will expedite the implementation of DMLS throughout various industrial sectors (automotive, biomedical, etc.).

Processing and display of nuclear magnetism logging signals: application to residual oil determination

International Nuclear Information System (INIS)

Brown, R.J.S.; Neuman, C.H.

1980-01-01

A presentation is made of a series of computations and signal displays which help to show the nature of NML signals in general as well as to show the response to particular formation, hole, and tool conditions. Such processing of digitally recorded signals enables improved accuracy and bed resolution over that presented with the raw log. The treatment of drilling mud filtrate to eliminate NML signal from the brine phase in the invaded zone is described. Logs are shown as recorded before and after invasion of treated mud filtrate. This treatment causes the NML signal to correspond to residual oil only, enabling accurate and relatively inexpensive measurement of residual oil. 24 refs

Active site of tripeptidyl peptidase II from human erythrocytes is of the subtilisin type

Energy Technology Data Exchange (ETDEWEB)

Tomkinson, B.; Wernstedt, C.; Hellman, U.; Zetterqvist, Oe.

1987-11-01

The present report presents evidence that the amino acid sequence around the serine of the active site of human tripeptidyl peptidase II is of the subtilisin type. The enzyme from human erythrocytes was covalently labeled at its active site with (/sup 3/H)diisopropyl fluorophosphate, and the protein was subsequently reduced, alkylated, and digested with trypsin. The labeled tryptic peptides were purified by gel filtration and repeated reversed-phase HPLC, and their amino-terminal sequences were determined. Residue 9 contained the radioactive label and was, therefore, considered to be the active serine residue. The primary structure of the part of the active site (residues 1-10) containing this residue was concluded to be Xaa-Thr-Gln-Leu-Met-Asx-Gly-Thr-Ser-Met. This amino acid sequence is homologous to the sequence surrounding the active serine of the microbial peptidases subtilisin and thermitase. These data demonstrate that human tripeptidyl peptidase II represents a potentially distinct class of human peptidases and raise the question of an evolutionary relationship between the active site of a mammalian peptidase and that of the subtilisin family of serine peptidases.

Analysis of residual stresses on the transverse beam of a casting stand by means of drilling method

Directory of Open Access Journals (Sweden)

P. Frankovský

2014-10-01

Full Text Available The presented paper demonstrates the application of drilling method in the analysis of residual stresses on the transverse beam of a casting stand. In the initial stage of the analysis the determination of strains was done for individual steps of drilling in the area which was determined by means of numerical analysis. The drilling was carried out gradually by 0,5 mm up to the depth of 5 mm, while the diameter of the drilled hole was 3,2 mm. During the analysis we used the drilling device RS-200, strain indicator P3 and SGD 1-RY21-3/120. The paper presents the development of residual stresses throughout the depth of the drilled hole which were determined according to standard ASTM E837-01, by means of integral method, power series method and by means of Power Series method.

A Multipixel Time Series Analysis Method Accounting for Ground Motion, Atmospheric Noise, and Orbital Errors

Science.gov (United States)

Jolivet, R.; Simons, M.

2018-02-01

Interferometric synthetic aperture radar time series methods aim to reconstruct time-dependent ground displacements over large areas from sets of interferograms in order to detect transient, periodic, or small-amplitude deformation. Because of computational limitations, most existing methods consider each pixel independently, ignoring important spatial covariances between observations. We describe a framework to reconstruct time series of ground deformation while considering all pixels simultaneously, allowing us to account for spatial covariances, imprecise orbits, and residual atmospheric perturbations. We describe spatial covariances by an exponential decay function dependent of pixel-to-pixel distance. We approximate the impact of imprecise orbit information and residual long-wavelength atmosphere as a low-order polynomial function. Tests on synthetic data illustrate the importance of incorporating full covariances between pixels in order to avoid biased parameter reconstruction. An example of application to the northern Chilean subduction zone highlights the potential of this method.

The principal series for a reductive symmetric space, II. Eisenstein integrals.

NARCIS (Netherlands)

Ban, E.P. van den

1991-01-01

In this paper we develop a theory of Eisenstein integrals related to the principal series for a reductive symmetric space G=H: Here G is a real reductive group of Harish-Chandra's class, ? an involution of G and H an open subgroup of the group G ? of xed points for ?: The group G itself is a

A survey of residual analysis and a new test of residual trend.

Science.gov (United States)

McDowell, J J; Calvin, Olivia L; Klapes, Bryan

2016-05-01

A survey of residual analysis in behavior-analytic research reveals that existing methods are problematic in one way or another. A new test for residual trends is proposed that avoids the problematic features of the existing methods. It entails fitting cubic polynomials to sets of residuals and comparing their effect sizes to those that would be expected if the sets of residuals were random. To this end, sampling distributions of effect sizes for fits of a cubic polynomial to random data were obtained by generating sets of random standardized residuals of various sizes, n. A cubic polynomial was then fitted to each set of residuals and its effect size was calculated. This yielded a sampling distribution of effect sizes for each n. To test for a residual trend in experimental data, the median effect size of cubic-polynomial fits to sets of experimental residuals can be compared to the median of the corresponding sampling distribution of effect sizes for random residuals using a sign test. An example from the literature, which entailed comparing mathematical and computational models of continuous choice, is used to illustrate the utility of the test. © 2016 Society for the Experimental Analysis of Behavior.

Ni(II) and Cu(II) binding with a 14-aminoacid sequence of Cap43 protein, TRSRSHTSEGTRSR.

Science.gov (United States)

Zoroddu, M A; Kowalik-Jankowska, T; Kozlowski, H; Salnikow, K; Costa, M

2001-03-01

The tetradecapeptide containing the 10 aminoacid repeated sequence on the C-terminus of the Ni(II)-induced Cap43 protein, was analyzed for Ni(II) and Cu(II) binding. A combined pH-metric and spectroscopic UV-VIS, EPR, CD and NMR study of Ni(II) and Cu(II) binding to the blocked CH3CO-Thr-Arg-Ser-Arg-Ser-His-Thr-Ser-Glu-Gly-Thr-Arg-Ser-Arg-NH2 (Ac-TRSRSHTSEGTRSR-Am) peptide, modeling a part of the C-terminal sequence of the Cap43 protein, revealed the formation of octahedral complexes involving imidazole nitrogen of histidine, at pH 5.5 and pH 7 for Cu(II) and Ni(II), respectively; a major square planar 4N-Ni(II) complex (about 100% at pH 9, log K* = -28.16) involving imidazole nitrogen of histidine and three deprotonated amide nitrogens of the backbone of the peptide was revealed; a 3N-Cu(II) complex (maximum about 70% at pH 7, log K*=-13.91) and a series of 4N-Cu(II) complexes starting at pH 5.5 (maximum about 90% at pH 8.7, log K* = -21.39 for CuH(-3)L), were revealed. This work supports the existence of a metal binding site at the COOH-terminal part of the Cap43 peptide.

The influence of quench sensitivity on residual stresses in the aluminium alloys 7010 and 7075

International Nuclear Information System (INIS)

Robinson, J.S.; Tanner, D.A.; Truman, C.E.; Paradowska, A.M.; Wimpory, R.C.

2012-01-01

The most critical stage in the heat treatment of high strength aluminium alloys is the rapid cooling necessary to form a supersaturated solid solution. A disadvantage of quenching is that the thermal gradients can be sufficient to cause inhomogeneous plastic deformation which in turn leads to the development of large residual stresses. Two 215 mm thick rectilinear forgings have been made from 7000 series alloys with widely different quench sensitivity to determine if solute loss in the form of precipitation during quenching can significantly affect residual stress magnitudes. The forgings were heat treated and immersion quenched using cold water to produce large magnitude residual stresses. The through thickness residual stresses were measured by neutron diffraction and incremental deep hole drilling. The distribution of residual stresses was found to be similar for both alloys varying from highly triaxial and tensile in the interior, to a state of biaxial compression in the surface. The 7010 forging exhibited larger tensile stresses in the interior. The microstructural variation from surface to centre for both forgings was determined using optical and transmission electron microscopy. These observations were used to confirm the origin of the hardness variation measured through the forging thickness. When the microstructural changes were accounted for in the through thickness lattice parameter, the residual stresses in the two forgings were found to be very similar. Solute loss in the 7075 forging appeared to have no significant effect on the residual stress magnitudes when compared to 7010. - Highlights: ► Through thickness residual stress measurements made on large Al alloy forgings. ► Residual stress characterised using neutron diffraction and deep hole drilling. ► Biaxial compressive surface and triaxial subsurface residual stresses. ► Quench sensitivity of 7075 promotes significant microstructural differences to 7010. ► When precipitation is

Disruption of key NADH-binding pocket residues of the Mycobacterium tuberculosis InhA affects DD-CoA binding ability.

Science.gov (United States)

Shaw, Daniel J; Robb, Kirsty; Vetter, Beatrice V; Tong, Madeline; Molle, Virginie; Hunt, Neil T; Hoskisson, Paul A

2017-07-05

Tuberculosis (TB) is a global health problem that affects over 10 million people. There is an urgent need to develop novel antimicrobial therapies to combat TB. To achieve this, a thorough understanding of key validated drug targets is required. The enoyl reductase InhA, responsible for synthesis of essential mycolic acids in the mycobacterial cell wall, is the target for the frontline anti-TB drug isoniazid. To better understand the activity of this protein a series of mutants, targeted to the NADH co-factor binding pocket were created. Residues P193 and W222 comprise a series of hydrophobic residues surrounding the cofactor binding site and mutation of both residues negatively affect InhA function. Construction of an M155A mutant of InhA results in increased affinity for NADH and DD-CoA turnover but with a reduction in V max for DD-CoA, impairing overall activity. This suggests that NADH-binding geometry of InhA likely permits long-range interactions between residues in the NADH-binding pocket to facilitate substrate turnover in the DD-CoA binding region of the protein. Understanding the precise details of substrate binding and turnover in InhA and how this may affect protein-protein interactions may facilitate the development of improved inhibitors enabling the development of novel anti-TB drugs.

Evaluation of the effectiveness of olive cake residue as an expansive soil stabilizer

Science.gov (United States)

Nalbantoglu, Zalihe; Tawfiq, Salma

2006-08-01

The quantity of the by-product olive cake residue generated in most parts of the Mediterranean countries continues to increase and expected to double in amount within 10 15 years. This increase intensifies the problems associated with the disposal of this by-product. Olive cake residue has a potential for use as a soil stabilizer and large volumes can be beneficially used. This study is directed toward determining if olive cake residue can be utilized to increase the strength and stability of expansive soils which constitute a costly natural hazard to lightweight structures on shallow foundations. A series of laboratory tests using engineering properties, such as Atterberg limits, moisture-density relationship (compaction), swell, unconfined compressive strength were undertaken to evaluate the effectiveness and performance of the olive cake residue as a soil stabilizer. Test results indicate that an addition of only 3% burned olive waste into the soil causes a reduction in plasticity, volume change and an increase in the unconfined compressive strength. However, it was observed that the presence of burned olive waste in the soil greater than 3% caused an increase in the compressibility and a decrease in the unconfined compressive strength. Test results indicate that the use of olive waste in soil stabilization gives greater benefits to the environment than simply disposing of the by-product, olive cake residue.

Spectral Estimation of UV-Vis Absorbance Time Series for Water Quality Monitoring

Directory of Open Access Journals (Sweden)

Leonardo Plazas-Nossa

2017-05-01

Full Text Available Context: Signals recorded as multivariate time series by UV-Vis absorbance captors installed in urban sewer systems, can be non-stationary, yielding complications in the analysis of water quality monitoring. This work proposes to perform spectral estimation using the Box-Cox transformation and differentiation in order to obtain stationary multivariate time series in a wide sense. Additionally, Principal Component Analysis (PCA is applied to reduce their dimensionality. Method: Three different UV-Vis absorbance time series for different Colombian locations were studied: (i El-Salitre Wastewater Treatment Plant (WWTP in Bogotá; (ii Gibraltar Pumping Station (GPS in Bogotá; and (iii San-Fernando WWTP in Itagüí. Each UV-Vis absorbance time series had equal sample number (5705. The esti-mation of the spectral power density is obtained using the average of modified periodograms with rectangular window and an overlap of 50%, with the 20 most important harmonics from the Discrete Fourier Transform (DFT and Inverse Fast Fourier Transform (IFFT. Results: Absorbance time series dimensionality reduction using PCA, resulted in 6, 8 and 7 principal components for each study site respectively, altogether explaining more than 97% of their variability. Values of differences below 30% for the UV range were obtained for the three study sites, while for the visible range the maximum differences obtained were: (i 35% for El-Salitre WWTP; (ii 61% for GPS; and (iii 75% for San-Fernando WWTP. Conclusions: The Box-Cox transformation and the differentiation process applied to the UV-Vis absorbance time series for the study sites (El-Salitre, GPS and San-Fernando, allowed to reduce variance and to eliminate ten-dency of the time series. A pre-processing of UV-Vis absorbance time series is recommended to detect and remove outliers and then apply the proposed process for spectral estimation. Language: Spanish.

Quantification of heavy metals from residual waste and ashes from the treatment plant of residual water Reciclagua and,effects for the health of those workers which manipulate those residuals; Cuantificacion de metales pesados de lodo residual y cenizas de la planta tratadora de aguas residuales Reciclagua y efectos a la salud de los trabajadores que manipulan los residuos

Energy Technology Data Exchange (ETDEWEB)

Guerrero D, J.J

2004-07-01

In this work, the technique of leaching using thermostatted column in series is applied, the X-ray diffraction for the identification of the atomic and molecular structure of the toxic metals that are present in the residual muds of the water treatment plant located in the municipality of Lerma Estado de Mexico, named RECICLAGUA, likewise the technique is used of emission spectrometry for plasma and X-ray fluorescence for the qualitative analysis. Its were take samples of residual mud and of incinerated mud of the treatment plant of residual waters of the industrial corridor Toluca -Lerma RECICLAGUA, located in Lerma Estado de Mexico. For this study there were mixed 100 g of residual mud with a solution to 10% of mineral acid or sodium hydroxide according to the case, to adjust the one pH at 2, 5, 7 and 10, it was added bisulfite, of 0.3-1.5 g of dodecyl sulfate sodium and 3.939 of DTPA (triple V) (Diethylene triamine pentaacetate). To this mud and ashes were extracted the toxic and valuable metals by means of the leaching technique using thermostatted columns placed in series that were designed by the Dr. Jaime Vite Torres; it is necessary to make mention that so much the process as the equipment with those that work it was patented by the same one. With the extraction of these metals benefits are obtained, mainly of economic type, achieving the decrease of the volume of those wastes that have been generated; as well as the so much the use of those residuals, once the metals have been eliminated, as of those liquors where the metals were extracted. It was carried out a quantitative analysis using emission spectrometry by plasma in solids by this way to be able to know the content of the present metals in the sample before and later of leaching them, these results reported a great quantity of elements. Another of the techniques employees was the X-ray diffraction analysis that provides an elementary content of the samples, identifying elements that are present in

Drying of residue and separation of nitrate salts in the sludge waste for the lagoon sludge treatment

International Nuclear Information System (INIS)

Hwang, D. S.; Lee, K. I.; Choi, Y. D.; Hwang, S. T.; Park, J. H.

2003-01-01

This study investigated the dissolution property of nitrate salts in the dissolution process by water and the drying property of residue after separating nitrates in a series of the processes for the sludge treatment. Desalination was carried out with the adding ratio of water and drying property was analyzed by TG/DTA, FTIR, and XRD. Nitrate salts involved in the sludge were separated over 97% at the water adding ratio of 2.5. But a small quantity of calcium and sodium nitrate remained in the residue These were decomposed over 600 .deg. C and calcium carbonate, which was consisted mainly of residue, was decomposed into calcium oxide over 750 .deg. C. The residue have to be decomposed over 800 .deg. C to converse uranyl nitrate of six value into the stable U 3 O 8 of four value. As a result of removing the nitrates at the water adding ratio of 2.5 and drying the residue over 900 .deg. C, volume of the sludge waste decreased over 80%

A label-free colorimetric aptasensor for simple, sensitive and selective detection of Pt (II) based on platinum (II)-oligonucleotide coordination induced gold nanoparticles aggregation.

Science.gov (United States)

Fan, Daoqing; Zhai, Qingfeng; Zhou, Weijun; Zhu, Xiaoqing; Wang, Erkang; Dong, Shaojun

2016-11-15

Herein, a gold nanoparticles (AuNPs) based label-free colorimetric aptasensor for simple, sensitive and selective detection of Pt (II) was constructed for the first time. Four bases (G-G mismatch) mismatched streptavidin aptamer (MSAA) was used to protect AuNPs from salt-induced aggregation and recognize Pt (II) specifically. Only in the presence of Pt (II), coordination occurs between G-G bases and Pt (II), leading to the activation of streptavidin aptamer. Streptavidin coated magnetic beads (MBs) were used as separation agent to separate Pt (II)-coordinated MSAA. The residual less amount of MSAA could not efficiently protect AuNPs anymore and aggregation of AuNPs will produce a colorimetric product. With the addition of Pt (II), a pale purple-to-blue color variation could be observed by the naked eye. A detection limit of 150nM and a linear range from 0.6μM to 12.5μM for Pt (II) could be achieved without any amplification. Copyright © 2016 Elsevier B.V. All rights reserved.

Executive Summary High-Yield Scenario Workshop Series Report

Energy Technology Data Exchange (ETDEWEB)

Leslie Park Ovard; Thomas H. Ulrich; David J. Muth Jr.; J. Richard Hess; Steven Thomas; Bryce Stokes

2009-12-01

To get a collective sense of the impact of research and development (R&D) on biomass resource availability, and to determine the feasibility that yields higher than baseline assumptions used for past assessments could be achieved to support U.S. energy independence, an alternate “High-Yield Scenario” (HYS) concept was presented to industry experts at a series of workshops held in December 2009. The workshops explored future production of corn/agricultural crop residues, herbaceous energy crops (HECs), and woody energy crops (WECs). This executive summary reports the findings of that workshop.

Optimization of bent perfect Si(220)-crystal monochromator for residual strain/stress instrument - Part II

Czech Academy of Sciences Publication Activity Database

Moon, MK.; Em, Vt.; Lee, C.H.; Mikula, Pavol; Hong, KP; Choi, YH; Cheon, JK; Nam, UW; Kong, KN; Jin, KC

2005-01-01

Roč. 368, 1 2 3 4 (2005), s. 70-75 ISSN 0921-4526 R&D Projects: GA ČR(CZ) GA202/03/0891 Institutional research plan: CEZ:AV0Z10480505 Keywords : neutron monochromator * residual stress measurement * neutron diffractometers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.796, year: 2005

AN EPISODE STARRING THE RESIDUE THEOREM IN THE HISTORY OF ELIPTIC FUNCTIONS

Directory of Open Access Journals (Sweden)

Leonardo Solanilla Chavarro

2015-01-01

Full Text Available In this paper we explain how the Residue Theorem was used perhaps for the first time to determine the Laurent series development of an elliptic function.  This great archievement in the history of Elliptic Functions is due to the Frech profesors Briot and Buquet.  We also draw some concluisions on the role of the historical emergence of Complex Analysis, as a general theory, in the developmente of Elliptic Functions.

Kinetics and thermodynamics of aqueous Cu(II) adsorption on heat ...

African Journals Online (AJOL)

This study investigated the kinetics and thermodynamics of copper(II) removal from aqueous solutions using spent bleaching earth (SBE). The spent bleaching earth, a waste material from edible oil processing industries, was reactivated by heat treatment at 370 oC after residual oil extraction in excess methyl-ethyl ketone.

Evaluation of residue-residue contact predictions in CASP9

KAUST Repository

Monastyrskyy, Bohdan; Fidelis, Krzysztof; Tramontano, Anna; Kryshtafovych, Andriy

2011-01-01

This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures

Phase correction and error estimation in InSAR time series analysis

Science.gov (United States)

Zhang, Y.; Fattahi, H.; Amelung, F.

2017-12-01

During the last decade several InSAR time series approaches have been developed in response to the non-idea acquisition strategy of SAR satellites, such as large spatial and temporal baseline with non-regular acquisitions. The small baseline tubes and regular acquisitions of new SAR satellites such as Sentinel-1 allows us to form fully connected networks of interferograms and simplifies the time series analysis into a weighted least square inversion of an over-determined system. Such robust inversion allows us to focus more on the understanding of different components in InSAR time-series and its uncertainties. We present an open-source python-based package for InSAR time series analysis, called PySAR (https://yunjunz.github.io/PySAR/), with unique functionalities for obtaining unbiased ground displacement time-series, geometrical and atmospheric correction of InSAR data and quantifying the InSAR uncertainty. Our implemented strategy contains several features including: 1) improved spatial coverage using coherence-based network of interferograms, 2) unwrapping error correction using phase closure or bridging, 3) tropospheric delay correction using weather models and empirical approaches, 4) DEM error correction, 5) optimal selection of reference date and automatic outlier detection, 6) InSAR uncertainty due to the residual tropospheric delay, decorrelation and residual DEM error, and 7) variance-covariance matrix of final products for geodetic inversion. We demonstrate the performance using SAR datasets acquired by Cosmo-Skymed and TerraSAR-X, Sentinel-1 and ALOS/ALOS-2, with application on the highly non-linear volcanic deformation in Japan and Ecuador (figure 1). Our result shows precursory deformation before the 2015 eruptions of Cotopaxi volcano, with a maximum uplift of 3.4 cm on the western flank (fig. 1b), with a standard deviation of 0.9 cm (fig. 1a), supporting the finding by Morales-Rivera et al. (2017, GRL); and a post-eruptive subsidence on the same

Geochemical modeling of leaching from MSVI air-pollution-control residues

DEFF Research Database (Denmark)

Astrup, Thomas; Dijkstra, J.J.; Comans, R.N.J.

2006-01-01

This paper provides an improved understanding of the leaching behavior of waste incineration air-pollution-control (APC) residues in a long-term perspective. Leaching was investigated by a series of batch experiments reflecting leaching conditions after initial washout of highly soluble salts from...... residues. Leaching experiments were performed at a range of pH-values using carbonated and noncarbonated versions of two APC residues. The leaching data were evaluated by geochemical speciation modeling and discussed with respect to possible solubility control. The leaching of major elements as well...... of Al, Ba, Ca, Cr, Pb, S, Si, V, and Zn was found influenced by solubility control from Al2O3, Al(OH)3, Ba(S,Cr)O4 solid solutions, BaSO4, Ca6Al2(SO4)3(OH)12â26H2O, CaAl2Si4O12â2H2O, Ca-(OH)2, CaSiO3, CaSO4â2H2O, CaZn2(OH)6â2H2O, KAlSi2O6, PbCO3, PbCrO4, Pb2O3, Pb2V2O7, Pb3(VO4)2, ZnO, Zn2SiO4, and Zn...

Complexity analysis of the turbulent environmental fluid flow time series

Science.gov (United States)

Mihailović, D. T.; Nikolić-Đorić, E.; Drešković, N.; Mimić, G.

2014-02-01

We have used the Kolmogorov complexities, sample and permutation entropies to quantify the randomness degree in river flow time series of two mountain rivers in Bosnia and Herzegovina, representing the turbulent environmental fluid, for the period 1926-1990. In particular, we have examined the monthly river flow time series from two rivers (the Miljacka and the Bosnia) in the mountain part of their flow and then calculated the Kolmogorov complexity (KL) based on the Lempel-Ziv Algorithm (LZA) (lower-KLL and upper-KLU), sample entropy (SE) and permutation entropy (PE) values for each time series. The results indicate that the KLL, KLU, SE and PE values in two rivers are close to each other regardless of the amplitude differences in their monthly flow rates. We have illustrated the changes in mountain river flow complexity by experiments using (i) the data set for the Bosnia River and (ii) anticipated human activities and projected climate changes. We have explored the sensitivity of considered measures in dependence on the length of time series. In addition, we have divided the period 1926-1990 into three subintervals: (a) 1926-1945, (b) 1946-1965, (c) 1966-1990, and calculated the KLL, KLU, SE, PE values for the various time series in these subintervals. It is found that during the period 1946-1965, there is a decrease in their complexities, and corresponding changes in the SE and PE, in comparison to the period 1926-1990. This complexity loss may be primarily attributed to (i) human interventions, after the Second World War, on these two rivers because of their use for water consumption and (ii) climate change in recent times.

Treatment outcome of bimaxillary surgery for asymmetric skeletal class II deformity.

Science.gov (United States)

Chen, Yun-Fang; Liao, Yu-Fang; Chen, Yin-An; Chen, Yu-Ray

2018-05-04

Facial asymmetry is one of the main concerns in patients with a dentofacial deformity. The aims of the study were to (1) evaluate the changes in facial asymmetry after bimaxillary surgery for asymmetric skeletal class II deformity and (2) compare preoperative and postoperative facial asymmetry of class II patients with normal controls. The facial asymmetry was assessed for 30 adults (21 women and 9 men, mean age: 29.3 years) who consecutively underwent bimaxillary surgery for asymmetric skeletal class II deformity using cone-beam computed tomography before and at least 6 months after surgery. Thirty soft tissue and two dental landmarks were identified on each three-dimensional facial image, and the asymmetry index of each landmark was calculated. Results were compared with those of 30 normal control subjects (21 women and 9 men, mean age: 26.2 years) with skeletal class I structure. Six months after surgery, the asymmetric index of the lower face and total face decreased significantly (17.8 ± 29.4 and 16.6 ± 29.5 mm, respectively, both p class II patients had residual chin asymmetry. The postoperative total face asymmetric index was positively correlated with the preoperative asymmetric index (r = 0.37, p class II deformity resulted in a significant improvement in lower face asymmetry. However, approximately 50% of the patients still had residual chin asymmetry. The total face postoperative asymmetry was moderately related to the initial severity of asymmetry. These findings could help clinicians better understand orthognathic outcomes on different facial regions for patients with asymmetric class II deformity.

Neutral beam injection optimization at TJ-II

International Nuclear Information System (INIS)

Fuentes, C.; Liniers, M.; Wolfers, G.; Alonso, J.; Marcon, G.; Carrasco, R.; Guasp, J.; Acedo, M.; Sanchez, E.; Medrano, M.; Garcia, A.; Doncel, J.; Alejaldre, C.; Tsai, C.C.; Barber, G.; Sparks, D.

2005-01-01

Neutral beam injection (NBI) heating has been used on the TJ-II stellarator for the first time. The beam has a port-through power between 200 and 400 kW and injection energy 28 kV. Beam transmission is limited by beam interception at the injection port and the first toroidal field coil, therefore, beam steering optimization is of critical importance. The beam interaction areas inside TJ-II vacuum chamber are surveyed by infrared thermography. Beam reionization can be a problem due to the presence of residual gas in the duct region. Halpha emission is used to monitor the reionization at the duct. A careful optimization of the injected gas has been carried out

Healing and relaxation in flows of helium II. Part II. First, second, and fourth sound

International Nuclear Information System (INIS)

Hills, R.N.; Roberts, P.H.

1978-01-01

In Part I of this series, a theory of helium II incorporating the effects of quantum healing and relaxation was developed. In this paper, the propagation of first, second, and fourth sound is discussed. Particular attention is paid to sound propagation in the vicinity of the lambda point where the effects of relaxation and quantum healing become important

Characterization of interfacial socket pressure in transhumeral prostheses: A case series.

Science.gov (United States)

Schofield, Jonathon S; Schoepp, Katherine R; Williams, Heather E; Carey, Jason P; Marasco, Paul D; Hebert, Jacqueline S

2017-01-01

One of the most important factors in successful upper limb prostheses is the socket design. Sockets must be individually fabricated to arrive at a geometry that suits the user's morphology and appropriately distributes the pressures associated with prosthetic use across the residual limb. In higher levels of amputation, such as transhumeral, this challenge is amplified as prosthetic weight and the physical demands placed on the residual limb are heightened. Yet, in the upper limb, socket fabrication is largely driven by heuristic practices. An analytical understanding of the interactions between the socket and residual limb is absent in literature. This work describes techniques, adapted from lower limb prosthetic research, to empirically characterize the pressure distribution occurring between the residual limb and well-fit transhumeral prosthetic sockets. A case series analyzing the result of four participants with transhumeral amputation is presented. A Tekscan VersaTek pressure measurement system and FaroArm Edge coordinate measurement machine were employed to capture socket-residual limb interface pressures and geometrically register these values to the anatomy of participants. Participants performed two static poses with their prosthesis under two separate loading conditions. Surface pressure maps were constructed from the data, highlighting pressure distribution patterns, anatomical locations bearing maximum pressure, and the relative pressure magnitudes. Pressure distribution patterns demonstrated unique characteristics across the four participants that could be traced to individual socket design considerations. This work presents a technique that implements commercially available tools to quantitatively characterize upper limb socket-residual limb interactions. This is a fundamental first step toward improved socket designs developed through informed, analytically-based design tools.

The diabetogenic mouse MHC class II molecule I-A[subscript g7] is endowed with a switch that modulates TCR affinity

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Kenji; Corper, Adam L.; Herro, Rana; Jabri, Bana; Wilson, Ian A.; Teyton, Luc (Scripps); (UC)

2011-11-16

Genetic susceptibility to autoimmunity is frequently associated with specific MHC alleles. Diabetogenic MHC class II molecules, such as human HLA-DQ8 and mouse I-A{sub g7}, typically have a small, uncharged amino acid residue at position 57 of their {beta} chain ({beta}57); this results in the absence of a salt bridge between {beta}57 and Arg{alpha}76, which is adjacent to the P9 pocket of the peptide-binding groove. However, the influence of Arg{alpha}76 on the selection of the TCR repertoire remains unknown, particularly when the MHC molecule binds a peptide with a neutral amino acid residue at position P9. Here, we have shown that diabetogenic MHC class II molecules bound to a peptide with a neutral P9 residue primarily selected and expanded cells expressing TCRs bearing a negatively charged residue in the first segment of their complementarity determining region 3{beta}. The crystal structure of one such TCR in complex with I-A{sub g7} bound to a peptide containing a neutral P9 residue revealed that a network of favorable long-range (greater than 4 {angstrom}) electrostatic interactions existed among Arg{alpha}76, the neutral P9 residue, and TCR, which supported the substantially increased TCR/peptide-MHC affinity. This network could be modulated or switched to a lower affinity interaction by the introduction of a negative charge at position P9 of the peptide. Our results support the existence of a switch at residue {beta}57 of the I-Ag7 and HLA-DQ8 class II molecules and potentially link normal thymic TCR selection with abnormal peripheral behavior.

UniFIeD Univariate Frequency-based Imputation for Time Series Data

OpenAIRE

Friese, Martina; Stork, Jörg; Ramos Guerra, Ricardo; Bartz-Beielstein, Thomas; Thaker, Soham; Flasch, Oliver; Zaefferer, Martin

2013-01-01

This paper introduces UniFIeD, a new data preprocessing method for time series. UniFIeD can cope with large intervals of missing data. A scalable test function generator, which allows the simulation of time series with different gap sizes, is presented additionally. An experimental study demonstrates that (i) UniFIeD shows a significant better performance than simple imputation methods and (ii) UniFIeD is able to handle situations, where advanced imputation methods fail. The results are indep...

Insect Residue Contamination on Wing Leading Edge Surfaces: A Materials Investigation for Mitigation

Science.gov (United States)

Lorenzi, Tyler M.; Wohl, Christopher J.; Penner, Ronald K.; Smith, Joseph G.; Siochi, Emilie J.

2011-01-01

Flight tests have shown that residue from insect strikes on aircraft wing leading edge surfaces may induce localized transition of laminar to turbulent flow. The highest density of insect populations have been observed between ground level and 153 m during light winds (2.6 -- 5.1 m/s), high humidity, and temperatures from 21 -- 29 C. At a critical residue height, dependent on the airfoil and Reynolds number, boundary layer transition from laminar to turbulent results in increased drag and fuel consumption. Although this represents a minimal increase in fuel burn for conventional transport aircraft, future aircraft designs will rely on maintaining laminar flow across a larger portion of wing surfaces to reduce fuel burn during cruise. Thus, insect residue adhesion mitigation is most critical during takeoff and initial climb to maintain laminar flow in fuel-efficient aircraft configurations. Several exterior treatments investigated to mitigate insect residue buildup (e.g., paper, scrapers, surfactants, flexible surfaces) have shown potential; however, implementation has proven to be impractical. Current research is focused on evaluation of wing leading edge surface coatings that may reduce insect residue adhesion. Initial work under NASA's Environmentally Responsible Aviation Program focused on evaluation of several commercially available products (commercial off-the-shelf, COTS), polymers, and substituted alkoxy silanes that were applied to aluminum (Al) substrates. Surface energies of these coatings were determined from contact angle data and were correlated to residual insect excrescence on coated aluminum substrates using a custom-built "bug gun." Quantification of insect excrescence surface coverage was evaluated by a series of digital photographic image processing techniques.

Treatment of air pollution control residues with iron rich waste sulfuric acid: does it work for antimony (Sb)?

Science.gov (United States)

Okkenhaug, Gudny; Breedveld, Gijs D; Kirkeng, Terje; Lægreid, Marit; Mæhlum, Trond; Mulder, Jan

2013-03-15

Antimony (Sb) in air pollution control (APC) residues from municipal solid waste incineration has gained increased focus due to strict Sb leaching limits set by the EU landfill directive. Here we study the chemical speciation and solubility of Sb at the APC treatment facility NOAH Langøya (Norway), where iron (Fe)-rich sulfuric acid (∼3.6M, 2.3% Fe(II)), a waste product from the industrial extraction of ilmenite, is used for neutralization. Antimony in water extracts of untreated APC residues occurred exclusively as pentavalent antimonate, even at low pH and Eh values. The Sb solubility increased substantially at pH<10, possibly due to the dissolution of ettringite (at alkaline pH) or calcium (Ca)-antimonate. Treated APC residues, stored anoxically in the laboratory, simulating the conditions at the NOAH Langøya landfill, gave rise to decreasing concentrations of Sb in porewater, occurring exclusively as Sb(V). Concentrations of Sb decreased from 87-918μgL(-1) (day 3) to 18-69μgL(-1) (day 600). We hypothesize that an initial sorption of Sb to Fe(II)-Fe(III) hydroxides (green rust) and eventually precipitation of Ca- and Fe-antimonates (tripuhyite; FeSbO4) occurred. We conclude that Fe-rich, sulfuric acid waste is efficient to immobilize Sb in APC residues from waste incineration. Copyright © 2013 Elsevier B.V. All rights reserved.

Kinetic Titration Series with Biolayer Interferometry

Science.gov (United States)

Frenzel, Daniel; Willbold, Dieter

2014-01-01

Biolayer interferometry is a method to analyze protein interactions in real-time. In this study, we illustrate the usefulness to quantitatively analyze high affinity protein ligand interactions employing a kinetic titration series for characterizing the interactions between two pairs of interaction patterns, in particular immunoglobulin G and protein G B1 as well as scFv IC16 and amyloid beta (1–42). Kinetic titration series are commonly used in surface plasmon resonance and involve sequential injections of analyte over a desired concentration range on a single ligand coated sensor chip without waiting for complete dissociation between the injections. We show that applying this method to biolayer interferometry is straightforward and i) circumvents problems in data evaluation caused by unavoidable sensor differences, ii) saves resources and iii) increases throughput if screening a multitude of different analyte/ligand combinations. PMID:25229647

Type Ia supernova Hubble residuals and host-galaxy properties

International Nuclear Information System (INIS)

Kim, A. G.; Aldering, G.; Aragon, C.; Bailey, S.; Fakhouri, H. K.; Antilogus, P.; Bongard, S.; Canto, A.; Cellier-Holzem, F.; Fleury, M.; Guy, J.; Baltay, C.; Buton, C.; Feindt, U.; Greskovic, P.; Kowalski, M.; Childress, M.; Chotard, N.; Copin, Y.; Gangler, E.

2014-01-01

Kim et al. introduced a new methodology for determining peak-brightness absolute magnitudes of type Ia supernovae from multi-band light curves. We examine the relation between their parameterization of light curves and Hubble residuals, based on photometry synthesized from the Nearby Supernova Factory spectrophotometric time series, with global host-galaxy properties. The K13 Hubble residual step with host mass is 0.013 ± 0.031 mag for a supernova subsample with data coverage corresponding to the K13 training; at <<1σ, the step is not significant and lower than previous measurements. Relaxing the data coverage requirement of the Hubble residual step with the host mass is 0.045 ± 0.026 mag for the larger sample; a calculation using the modes of the distributions, less sensitive to outliers, yields a step of 0.019 mag. The analysis of this article uses K13 inferred luminosities, as distinguished from previous works that use magnitude corrections as a function of SALT2 color and stretch parameters: steps at >2σ significance are found in SALT2 Hubble residuals in samples split by the values of their K13 x(1) and x(2) light-curve parameters. x(1) affects the light-curve width and color around peak (similar to the Δm 15 and stretch parameters), and x(2) affects colors, the near-UV light-curve width, and the light-curve decline 20-30 days after peak brightness. The novel light-curve analysis, increased parameter set, and magnitude corrections of K13 may be capturing features of SN Ia diversity arising from progenitor stellar evolution.

Hispanic mothers’ beliefs regarding HPV vaccine series completion in their adolescent daughters

Science.gov (United States)

Roncancio, A. M.; Ward, K. K.; Carmack, C. C.; Mu�oz, B. T.; Cribbs, F. L.

2017-01-01

Abstract Rates of human papillomavirus (HPV) vaccine series completion among adolescent Hispanic females in Texas in 2014 (∼39%) lag behind the Healthy People 2020 goal (80%). This qualitative study identifies Hispanic mothers’ salient behavioral, normative and control beliefs regarding having their adolescent daughters complete the vaccine series. Thirty-two mothers of girls (aged 11–17) that had received at least one dose of the HPV vaccine, completed in-depth interviews. Six girls had received one dose of the HPV vaccine, 10 girls had received two doses, and 16 girls had received all three doses. The questions elicited salient: (i) experiential and instrumental attitudes (behavioral beliefs); (ii) supporters and non-supporters (normative beliefs) and (iii) facilitators and barriers (control beliefs). Directed content analysis was employed to select the most salient beliefs. Mothers: (i) expressed salient positive feelings (e.g. good, secure, happy and satisfied); (ii) believed that completing the series resulted in positive effects (e.g. protection, prevention); (iii) believed that the main supporters were themselves, their daughter’s father and doctor with some of their friends not supporting series completion and (iv) believed that vaccine affordability, information, transportation, ease of scheduling and keeping vaccination appointments and taking their daughter’s immunization card to appointments were facilitators. This study represents the first step in building theory-based framework of vaccine series completion for this population. The beliefs identified provide guidance for health care providers and intervention developers. PMID:28088755

Association between mortality and residual radiation in Nagasaki atomic bomb survivors exposed at long-distance from the hypocenter

International Nuclear Information System (INIS)

Kondo, Hisayoshi; Mine, Mariko; Yokota, Kenichi; Shibata, Yoshisada

2012-01-01

Mortality of Nagasaki A-bomb survivors exposed at 3 km or longer distance from the hypocenter was compared with that of those who were additionally exposed to residual radiation because of their entrance in the area at 1 km or closer to the center within 24 hr post explosion. The latter survivors (group I), 2,357 men with average age of 28.4 y and 2,618 women of 26.5 y at the exposure, were alive at 1970, and the former (group II, without exposure to residual radiation) was selected to match their numbers in sex, exposed distance, ages at exposure and at start of the follow-up study to those of group I. Follow-up was conducted from 1970 to 2007, and their total, malignant, cerebrovascular, cardiac and pneumonic deaths were observed. Cox proportional hazard model was used for estimation of mortality risk with covariates of sex and age at start of the study. The risk in group II was defined to be standard. Ages at start of the study were 53.3 and 51.4 y in men and women, respectively. Crude mortality tended to be higher in men of group I at ages of 40-49 and 50-59 y at start of the study. Hazard ratios of total and malignant tumor deaths in group I were 0.965 and 1.092, respectively, without statistic significance from group II and of other deaths, 0.982-0.999, also of statistic insignificance. Thus increased mortality due to residual radiation was not observed. (T.T.)

Post orchiectomy management in stage II testicular seminoma

International Nuclear Information System (INIS)

Singhal, S.; Dixit, S.; Ramana Murthy, R.; Neema, J.P.; Vyas, R.K.; Baboo, H.A.

1994-01-01

Twenty eight patients with stage II A and twenty patients with stage II B testicular seminoma were treated at this institute between January 1982 and December 1988. The three year crude survival observed in this retrospective analysis was 82% and 75% respectively. Post orchiectomy infradiaphragmatic radiotherapy was the mainstay of the treatment. In stage II A, 4 patients were administered adjuvant chemotherapy as well. Prophylactic mediastinal irradiation (PMI) was not employed as a routine in this subgroup. Eight patients (28%) relapsed (mediastinal nodes - 4, pulmonary - 3, scrotal - 1). In stage II B, twelve patients were treated with primary abdominal radiotherapy and of them 4 were delivered PMI as well. Induction chemotherapy was administered in remaining 8 patients. Seven patients (35%) relapsed (pulmonary-4, mediastinal nodes-3). Mediastinal recurrence was noted only in those who were treated with abdominal radiotherapy alone. Though salvage chemotherapy proved successful in 5 of the seven patients (70%) with nodal relapse, none of the patients with extranodal relapse responded to subsequent chemotherapy. For stage II A abdominal radiotherapy alone is recommended and for stage II B induction chemotherapy is advised keeping radiotherapy reserved for residual mass. PMI as a routine in stage II testicular seminoma is not advocated as no survival benefit is observed. (author) 15 refs., 6 tabs

Predictive hydrogeochemical modelling of bauxite residue sand in field conditions.

Science.gov (United States)

Wissmeier, Laurin; Barry, David A; Phillips, Ian R

2011-07-15

The suitability of residue sand (the coarse fraction remaining from Bayer's process of bauxite refining) for constructing the surface cover of closed bauxite residue storage areas was investigated. Specifically, its properties as a medium for plant growth are of interest to ensure residue sand can support a sustainable ecosystem following site closure. The geochemical evolution of the residue sand under field conditions, its plant nutrient status and soil moisture retention were studied by integrated modelling of geochemical and hydrological processes. For the parameterization of mineral reactions, amounts and reaction kinetics of the mineral phases natron, calcite, tricalcium aluminate, sodalite, muscovite and analcime were derived from measured acid neutralization curves. The effective exchange capacity for ion adsorption was measured using three independent exchange methods. The geochemical model, which accounts for mineral reactions, cation exchange and activity corrected solution speciation, was formulated in the geochemical modelling framework PHREEQC, and partially validated in a saturated-flow column experiment. For the integration of variably saturated flow with multi-component solute transport in heterogeneous 2D domains, a coupling of PHREEQC with the multi-purpose finite-element solver COMSOL was established. The integrated hydrogeochemical model was applied to predict water availability and quality in a vertical flow lysimeter and a cover design for a storage facility using measured time series of rainfall and evaporation from southwest Western Australia. In both scenarios the sand was fertigated and gypsum-amended. Results show poor long-term retention of fertilizer ions and buffering of the pH around 10 for more than 5 y of leaching. It was concluded that fertigation, gypsum amendment and rainfall leaching alone were insufficient to render the geochemical conditions of residue sand suitable for optimal plant growth within the given timeframe. The

Extraction of manganese from electrolytic manganese residue by bioleaching.

Science.gov (United States)

Xin, Baoping; Chen, Bing; Duan, Ning; Zhou, Changbo

2011-01-01

Extraction of manganese from electrolytic manganese residues using bioleaching was investigated in this paper. The maximum extraction efficiency of Mn was 93% by sulfur-oxidizing bacteria at 4.0 g/l sulfur after bioleaching of 9days, while the maximum extraction efficiency of Mn was 81% by pyrite-leaching bacteria at 4.0 g/l pyrite. The series bioleaching first by sulfur-oxidizing bacteria and followed by pyrite-leaching bacteria evidently promoted the extraction of manganese, witnessing the maximum extraction efficiency of 98.1%. In the case of sulfur-oxidizing bacteria, the strong dissolution of bio-generated sulfuric acid resulted in extraction of soluble Mn2+, while both the Fe2+ catalyzed reduction of Mn4+ and weak acidic dissolution of Mn2+ accounted for the extraction of manganese with pyrite-leaching bacteria. The chemical simulation of bioleaching process further confirmed that the acid dissolution of Mn2+ and Fe2+ catalyzed reduction of Mn4+ were the bioleaching mechanisms involved for Mn extraction from electrolytic manganese residues. Copyright © 2010 Elsevier Ltd. All rights reserved.

The Dimanganese(II) Site of Bacillus subtilis Class Ib Ribonucleotide Reductase

Energy Technology Data Exchange (ETDEWEB)

Boal, Amie K.; Cotruvo, Jr., Joseph A.; Stubbe, JoAnne; Rosenzweig, Amy C. (MIT); (NWU)

2014-10-02

Class Ib ribonucleotide reductases (RNRs) use a dimanganese-tyrosyl radical cofactor, Mn{sub 2}{sup III}-Y{sm_bullet}, in their homodimeric NrdF ({beta}2) subunit to initiate reduction of ribonucleotides to deoxyribonucleotides. The structure of the Mn{sub 2}{sup II} form of NrdF is an important component in understanding O{sub 2}-mediated formation of the active metallocofactor, a subject of much interest because a unique flavodoxin, NrdI, is required for cofactor assembly. Biochemical studies and sequence alignments suggest that NrdF and NrdI proteins diverge into three phylogenetically distinct groups. The only crystal structure to date of a NrdF with a fully ordered and occupied dimanganese site is that of Escherichia coli Mn{sub 2}{sup II}-NrdF, prototypical of the enzymes from actinobacteria and proteobacteria. Here we report the 1.9 {angstrom} resolution crystal structure of Bacillus subtilis Mn{sub 2}{sup II}-NrdF, representative of the enzymes from a second group, from Bacillus and Staphylococcus. The structures of the metal clusters in the {beta}2 dimer are distinct from those observed in E. coli Mn{sub 2}{sup II}-NrdF. These differences illustrate the key role that solvent molecules and protein residues in the second coordination sphere of the Mn{sub 2}{sup II} cluster play in determining conformations of carboxylate residues at the metal sites and demonstrate that diverse coordination geometries are capable of serving as starting points for Mn{sub 2}{sup III}-Y{sm_bullet} cofactor assembly in class Ib RNRs.

Refuse-derived fuel from municipal solid waste residuals : a feasibility study[Manure, biosolids, and organic industrial/commercial residuals in land applications programs : improving beneficial reuse and protection of water quality

Energy Technology Data Exchange (ETDEWEB)

Sturgess, C.; Johnson, R. [Alberta Research Council, Vegreville, AB (Canada). Environmental Technologies; Schubert, J. [EWMC Operations, Edmonton, AB (Canada)

2007-07-01

Edmonton's Waste Management Centre (EWMC) consists of a composting plant and a materials recovery facility, which accepts over 230,000 tonnes of residential waste per year. It removes 74,000 tonnes of residuals from these two facilities through a series of processing and refining stages and landfilling. Alternative waste management strategies are being considered to handle these residuals as the city's landfill site is approaching its maximum capacity. One option that takes advantage of the high calorific value of these residues is gasification. To ensure consistent and uniform gasification, the residuals have to be processed to a homogenous feedstock. This paper outlined the steps that were taken to characterize the four distinct residual streams, process them to a refuse-derived fluff and pelletize mixtures of these four streams with specific additives. The paper discussed pellet criteria; feedstock preparation; the physical and chemical properties of the fluff and pelletized mixture; pelletization; and, cost estimates of the processing stages involved. Last, a summary of the project was provided. The first phase of the project has been completed. The second phase of the project involves the development of the optimum business case, which includes further cost assessment of the feedstock preparation stage; leasing commercial scale equipment to establish efficiency and robustness of the process; assessing an alternative feeding system for the gasification system; and evaluating methanol production using a catalyst to convert the syngas to methanol. 5 tabs., 4 figs.

Photo series for quantifying forest residues in managed lands of the Medicine Bow National Forest

Science.gov (United States)

John B. Popp; John E. Lundquist

2006-01-01

This photo series presents a visual representation of a range of fuel loading conditions specifically found on the Medicine Bow National Forest. The photos are grouped by forest type and past management practices. This field guide describes the distribution of different types of woody fuels and includes some vegetation data.

A method for the estimation of the residual error in the SALP approach for fault tree analysis

International Nuclear Information System (INIS)

Astolfi, M.; Contini, S.

1980-01-01

The aim of this report is the illustration of the algorithms implemented in the SALP-MP code for the estimation of the residual error. These algorithms are of more general use, and it would be possible to implement them on all codes of the series SALP previously developed, as well as, with minor modifications, to analysis procedures based on 'top-down' approaches. At the time, combined 'top-down' - 'bottom up' procedures are being studied in order to take advantage from both approaches for further reduction of computer time and better estimation of the residual error, for which the developed algorithms are still applicable

Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.

Directory of Open Access Journals (Sweden)

Robert Kalescky

2016-04-01

Full Text Available Intra-protein information is transmitted over distances via allosteric processes. This ubiquitous protein process allows for protein function changes due to ligand binding events. Understanding protein allostery is essential to understanding protein functions. In this study, allostery in the second PDZ domain (PDZ2 in the human PTP1E protein is examined as model system to advance a recently developed rigid residue scan method combining with configurational entropy calculation and principal component analysis. The contributions from individual residues to whole-protein dynamics and allostery were systematically assessed via rigid body simulations of both unbound and ligand-bound states of the protein. The entropic contributions of individual residues to whole-protein dynamics were evaluated based on covariance-based correlation analysis of all simulations. The changes of overall protein entropy when individual residues being held rigid support that the rigidity/flexibility equilibrium in protein structure is governed by the La Châtelier's principle of chemical equilibrium. Key residues of PDZ2 allostery were identified with good agreement with NMR studies of the same protein bound to the same peptide. On the other hand, the change of entropic contribution from each residue upon perturbation revealed intrinsic differences among all the residues. The quasi-harmonic and principal component analyses of simulations without rigid residue perturbation showed a coherent allosteric mode from unbound and bound states, respectively. The projection of simulations with rigid residue perturbation onto coherent allosteric modes demonstrated the intrinsic shifting of ensemble distributions supporting the population-shift theory of protein allostery. Overall, the study presented here provides a robust and systematic approach to estimate the contribution of individual residue internal motion to overall protein dynamics and allostery.

Pipe Overpack Container Fire Testing: Phase I & II

Energy Technology Data Exchange (ETDEWEB)

Figueroa, Victor G. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ammerman, Douglas J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lopez, Carlos [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gill, Walter [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-05-01

The Pipe Overpack Container (POC) was developed at Rocky Flats to transport plutonium residues with higher levels of plutonium than standard transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP) for disposal. In 1996 Sandia National Laboratories (SNL) conducted a series of tests to determine the degree of protection POCs provided during storage accident events. One of these tests exposed four of the POCs to a 30-minute engulfing pool fire, resulting in one of the 7A drum overpacks generating sufficient internal pressure to pop off its lid and expose the top of the pipe container (PC) to the fire environment. The initial contents of the POCs were inert materials, which would not generate large internal pressure within the PC if heated. However, POCs are now being used to store combustible TRU waste at Department of Energy (DOE) sites. At the request of DOE’s Office of Environmental Management (EM) and National Nuclear Security Administration (NNSA), starting in 2015 SNL conducted a new series of fire tests to examine whether PCs with combustibles would reach a temperature that would result in (1) decomposition of inner contents and (2) subsequent generation of sufficient gas to cause the PC to over-pressurize and release its inner content. Tests conducted during 2015 and 2016, and described herein, were done in two phases. The goal of the first phase was to see if the PC would reach high enough temperatures to decompose typical combustible materials inside the PC. The goal of the second test phase was to determine under what heating loads (i.e., incident heat fluxes) the 7A drum lid pops off from the POC drum. This report will describe the various tests conducted in phase I and II, present preliminary results from these tests, and discuss implications for the POCs.

Flanking signal and mature peptide residues influence signal peptide cleavage

Directory of Open Access Journals (Sweden)

Ranganathan Shoba

2008-12-01

Full Text Available Abstract Background Signal peptides (SPs mediate the targeting of secretory precursor proteins to the correct subcellular compartments in prokaryotes and eukaryotes. Identifying these transient peptides is crucial to the medical, food and beverage and biotechnology industries yet our understanding of these peptides remains limited. This paper examines the most common type of signal peptides cleavable by the endoprotease signal peptidase I (SPase I, and the residues flanking the cleavage sites of three groups of signal peptide sequences, namely (i eukaryotes (Euk (ii Gram-positive (Gram+ bacteria, and (iii Gram-negative (Gram- bacteria. Results In this study, 2352 secretory peptide sequences from a variety of organisms with amino-terminal SPs are extracted from the manually curated SPdb database for analysis based on physicochemical properties such as pI, aliphatic index, GRAVY score, hydrophobicity, net charge and position-specific residue preferences. Our findings show that the three groups share several similarities in general, but they display distinctive features upon examination in terms of their amino acid compositions and frequencies, and various physico-chemical properties. Thus, analysis or prediction of their sequences should be separated and treated as distinct groups. Conclusion We conclude that the peptide segment recognized by SPase I extends to the start of the mature protein to a limited extent, upon our survey of the amino acid residues surrounding the cleavage processing site. These flanking residues possibly influence the cleavage processing and contribute to non-canonical cleavage sites. Our findings are applicable in defining more accurate prediction tools for recognition and identification of cleavage site of SPs.

High-temperature vitrification of Hanford residual-liquid waste in a continuous melter

International Nuclear Information System (INIS)

Barnes, S.M.

1980-04-01

Over 270 kg of high-temperature borosilicate glass have been produced in a series of three short-term tests in the High-Temperature Ceramic Melter vitrification system at PNL. The glass produced was formulated to vitrify simulated Hanford residual-liquid waste. The tests were designed to (1) demonstrate the feasibility of utilizing high-temperature, continuous-vitrification technology for the immobilization of the residual-liquid waste, (2) test the airlift draining technique utilized by the high-temperature melter, (3) compare glass produced in this process to residual-liquid glass produced under laboratory conditions, (4) investigate cesium volatility from the melter during waste processing, and (5) determine the maximum residual-liquid glass production rate in the high-temperature melter. The three tests with the residual-liquid composition confirmed the viability of the continuous-melting vitrification technique for the immobilization of this waste. The airlift draining technique was demonstrated in these tests and the glass produced from the melter was shown to be less porous than the laboratory-produced glass. The final glass produced from the second test was compared to a glass of the same composition produced under laboratory conditions. The comparative tests found the glasses to be indistinguishable, as the small differences in the test results fell within the precision range of the characterization testing equipment. The cesium volatility was examined in the final test. This examination showed that 0.44 wt % of the cesium (assumed to be cesium oxide) was volatilized, which translates to a volatilization rate of 115 mg/cm 2 -h

Stage II recovery behavior of a series of ion-irradiated platinum (gold) alloys as studied by field-ion microscopy. [0. 10, 0. 62, and 4. 0 at. percent Au and pure Pt

Energy Technology Data Exchange (ETDEWEB)

Wei, C.Y.; Seidman, D.N.

1976-11-01

Direct and visible evidence was obtained for long-range migration of self-interstitial atoms (SIAs) in Stage II of three different ion-irradiated platinum (gold) alloys. Field-ion microscope (FIM) specimens of Pt--0.10, 0.62 and 4.0 at. percent Au alloys were irradiated in-situ with 30-keV W/sup +/ or Pt/sup +/ ions at a tip temperature of 35 to 41 K at 2 x 10/sup -9/ torr. Direct observation of the surfaces of the FIM specimens during isochronal warming experiments to 100 K showed that a flux of SIAs crossed the surfaces of the specimens between 40 to 100 K. The spectrum for each alloy consisted of two recovery peaks (substages II/sub B/ and II/sub C/). The results are explained on the basis of an impurity-delayed diffusion mechanism employing a two-level trapping model. The application of this diffusion model to the isochronal recovery spectra yielded a dissociation enthalpy (DELTAh/sub li-Au//sup diss/) and an effective diffusion coefficient for each substage; for substage II/sub B/ DELTAh/sub li-Au//sup diss/ (II/sub B/) = 0.15 eV and for substage II/sub C/ DELTAh/sub li-Au//sup diss/ (II/sub C/) = 0.24 eV. A series of detailed control experiments was also performed to show that the imaging electric field had not caused the observed long-range migration of SIAs and that the observed effects were not the result of surface artifacts. 14 figures, 6 tables.

Formation of non-extractable pesticide residues: observations on compound differences, measurement and regulatory issues

Energy Technology Data Exchange (ETDEWEB)

Mordaunt, Catriona J.; Gevao, Bondi; Jones, Kevin C.; Semple, Kirk T

2005-01-01

Six major use pesticides (Atrazine, Dicamba, Isoproturon, Lindane, Paraquat and Trifluralin) with differing physico-chemical properties were evaluated for the significance of 'bound' or non extractable residue formation. Investigations were carried out in purpose-built microcosms where mineralization, volatilisation, 'soil water' extractable and organic solvent extractable residues could be quantified. Extractable residues were defined as those accessible by sequential extraction where the solvent used became increasingly non-polar. Dichloromethane was the 'harshest' solvent used at the end of the sequential extraction procedure. {sup 14}C-labelled volatilised and {sup 14}CO{sub 2} fractions were trapped on exit from the microcosm. The pesticides were categorised into 3 classes based on their behaviour. (i) Type A (Atrazine, Lindane and Trifluralin) in which ring degradation was limited as was the formation of non-extractable residues; the remainder of the {sup 14}C-activity was found in the extractable fraction. (ii) Type B (Dicamba and Isoproturon) in which approximately 25% of the {sup 14}C-activity was mineralised and a large portion was found in the non-extractable fraction after 91 days. Finally, Type C (Paraquat) in which almost all of the {sup 14}C-activity was quickly incorporated into the non-extractable fraction. The implications of the data are discussed, with respect to the variability and significance of regulatory aspects of non-extractable residues.

Formation of non-extractable pesticide residues: observations on compound differences, measurement and regulatory issues

International Nuclear Information System (INIS)

Mordaunt, Catriona J.; Gevao, Bondi; Jones, Kevin C.; Semple, Kirk T.

2005-01-01

Six major use pesticides (Atrazine, Dicamba, Isoproturon, Lindane, Paraquat and Trifluralin) with differing physico-chemical properties were evaluated for the significance of 'bound' or non extractable residue formation. Investigations were carried out in purpose-built microcosms where mineralization, volatilisation, 'soil water' extractable and organic solvent extractable residues could be quantified. Extractable residues were defined as those accessible by sequential extraction where the solvent used became increasingly non-polar. Dichloromethane was the 'harshest' solvent used at the end of the sequential extraction procedure. 14 C-labelled volatilised and 14 CO 2 fractions were trapped on exit from the microcosm. The pesticides were categorised into 3 classes based on their behaviour. (i) Type A (Atrazine, Lindane and Trifluralin) in which ring degradation was limited as was the formation of non-extractable residues; the remainder of the 14 C-activity was found in the extractable fraction. (ii) Type B (Dicamba and Isoproturon) in which approximately 25% of the 14 C-activity was mineralised and a large portion was found in the non-extractable fraction after 91 days. Finally, Type C (Paraquat) in which almost all of the 14 C-activity was quickly incorporated into the non-extractable fraction. The implications of the data are discussed, with respect to the variability and significance of regulatory aspects of non-extractable residues

Characterizing T Cells in SCID Patients Presenting with Reactive or Residual T Lymphocytes

Directory of Open Access Journals (Sweden)

Atar Lev

2012-01-01

Full Text Available Introduction. Patients with severe combined immunodeficiency (SCID may present with residual circulating T cells. While all cells are functionally deficient, resulting in high susceptibility to infections, only some of these cells are causing autoimmune symptoms. Methods. Here we compared T-cell functions including the number of circulating CD3+ T cells, in vitro responses to mitogens, T-cell receptor (TCR repertoire, TCR excision circles (TREC levels, and regulatory T cells (Tregs enumeration in several immunodeficinecy subtypes, clinically presenting with nonreactive residual cells (MHC-II deficiency or reactive cells. The latter includes patients with autoreactive clonal expanded T cell and patients with alloreactive transplacentally maternal T cells. Results. MHC-II deficient patients had slightly reduced T-cell function, normal TRECs, TCR repertoires, and normal Tregs enumeration. In contrast, patients with reactive T cells exhibited poor T-cell differentiation and activity. While the autoreactive cells displayed significantly reduced Tregs numbers, the alloreactive transplacentally acquired maternal lymphocytes had high functional Tregs. Conclusion. SCID patients presenting with circulating T cells show different patterns of T-cell activity and regulatory T cells enumeration that dictates the immunodeficient and autoimmune manifestations. We suggest that a high-tolerance capacity of the alloreactive transplacentally acquired maternal lymphocytes represents a toleration advantage, yet still associated with severe immunodeficiency.

Cellular adhesion responses to the heparin-binding (HepII) domain of fibronectin require heparan sulfate with specific properties

DEFF Research Database (Denmark)

Mahalingam, Yashithra; Gallagher, John T; Couchman, John R

2006-01-01

of fibronectin (HepII domain) through its HS chains. The fine structure of HS is critical to growth factor responses, and whether this extends to matrix ligands is unknown but is suggested from in vitro experiments. Cell attachment to HepII showed that heparin oligosaccharides of >or=14 sugar residues were...

Occurrence of pesticide non extractable residues in physical and chemical fractions from two natural soils.

Science.gov (United States)

Andreou, K.; Jones, K.; Semple, K.

2009-04-01

Distribution of pesticide non extractable residues resulted from the incubation of two natural soils with each of the isoproturon, diazinon and cypermethrin pesticide was assessed in this study. Pesticide non extractable residues distribution in soil physical and chemical fractions is known to ultimately affect their fate. This study aimed to address the fate and behaviour of the non extractable residues in the context of their association with soil physical and chemical fractions with varying properties and characteristics. Non extractable residues were formed from incubation of each pesticide in the two natural soils over a period of 24 months. Soils containing the non extractable residues were fractionated into three solid phase fractions using a physical fractionation procedure as follows: Sediment (SED, >20 μm), (II) Microaggregate (MA, 20-2 μm) and (III) Colloid phase (COL, 2-0.05 μm). Each soil fraction was then fractionated into organic carbon chemical fractionations as follows: Fulvic acid (FA), Humic acid (HA) and Humin (HM). Significant amount of the pesticides was lost during the incubation period. Enrichment factors for the organic carbon and the 14C-pesticide residues were higher in the MA and COL fraction rather than the SED fraction. Greater association and enrichment of the fulvic acid fraction of the organic carbon in the soil was observed. Non extractable residues at the FA fraction showed to diminish while in the HA fraction were increased with decreasing the fraction size. An appreciable amount of non extractable residues were located in the HM fraction but this was less than the amount recovered in the humic substances. Long term fate of pesticide non extractable residues in the soil structural components is important in order to assess any risk associated with them.

Batch sorption dynamics and equilibrium for the removal of lead ions from aqueous phase using activated carbon developed from coffee residue activated with zinc chloride.

Science.gov (United States)

Boudrahem, F; Aissani-Benissad, F; Aït-Amar, H

2009-07-01

Lignocellulosic materials are good precursors for the production of activated carbon. In this work, coffee residue has been used as raw material in the preparation of powder activated carbon by the method of chemical activation with zinc chloride for the sorption of Pb(II) from dilute aqueous solutions. The influence of impregnation ratio (ZnCl2/coffee residue) on the physical and chemical properties of the prepared carbons was studied in order to optimize this parameter. The optimum experimental condition for preparing predominantly microporous activated carbons with high pore surface area (890 m2/g) and micropore volume (0.772 cm3/g) is an impregnation ratio of 100%. The developed activated carbon shows substantial capability to sorb lead(II) ions from aqueous solutions and for relative impregnation ratios of 75 and 100%, the maximum uptake is practically the same. Thus, 75% represents the optimal impregnation ratio. Batch experiments were conducted to study the effects of the main parameters such as contact time, initial concentration of Pb(II), solution pH, ionic strength and temperature. The maximum uptake of lead(II) at 25 degrees C was about 63 mg/g of adsorbent at pH 5.8, initial Pb(II) concentration of 10 mg/L, agitation speed of 200 rpm and ionic strength of 0.005 M. The kinetic data were fitted to the models of pseudo-first order and pseudo-second order, and follow closely the pseudo-second order model. Equilibrium sorption isotherms of Pb(II) were analyzed by the Langmuir, Freundlich and Temkin isotherm models. The Freundlich model gives a better fit than the others. Results from this study suggest that activated carbon produced from coffee residue is an effective adsorbent for the removal of lead from aqueous solutions and that ZnCl2 is a suitable activating agent for the preparation of high-porosity carbons.

Residual gas analysis

International Nuclear Information System (INIS)

Berecz, I.

1982-01-01

Determination of the residual gas composition in vacuum systems by a special mass spectrometric method was presented. The quadrupole mass spectrometer (QMS) and its application in thin film technology was discussed. Results, partial pressure versus time curves as well as the line spectra of the residual gases in case of the vaporization of a Ti-Pd-Au alloy were demonstrated together with the possible construction schemes of QMS residual gas analysers. (Sz.J.)

Future mission studies: Forecasting solar flux directly from its chaotic time series

Science.gov (United States)

Ashrafi, S.

1991-01-01

The mathematical structure of the programs written to construct a nonlinear predictive model to forecast solar flux directly from its time series without reference to any underlying solar physics is presented. This method and the programs are written so that one could apply the same technique to forecast other chaotic time series, such as geomagnetic data, attitude and orbit data, and even financial indexes and stock market data. Perhaps the most important application of this technique to flight dynamics is to model Goddard Trajectory Determination System (GTDS) output of residues between observed position of spacecraft and calculated position with no drag (drag flag = off). This would result in a new model of drag working directly from observed data.

Assessing the Availability of Wood Residues and Residue Markets in Virginia

OpenAIRE

Alderman, Delton R. Jr.

1998-01-01

A statewide mail survey of primary and secondary wood product manufacturers was undertaken to quantify the production and consumption of wood residues in Virginia. Two hundred and sixty-six wood product manufacturers responded to the study and they provided information on the production, consumption, markets, income or disposal costs, and disposal methods of wood residues. Hardwood and pine sawmills produce approximately 66 percent of Virginia's wood residues. Virginia's wood product man...

Characterization of interfacial socket pressure in transhumeral prostheses: A case series.

Directory of Open Access Journals (Sweden)

Jonathon S Schofield

Full Text Available One of the most important factors in successful upper limb prostheses is the socket design. Sockets must be individually fabricated to arrive at a geometry that suits the user's morphology and appropriately distributes the pressures associated with prosthetic use across the residual limb. In higher levels of amputation, such as transhumeral, this challenge is amplified as prosthetic weight and the physical demands placed on the residual limb are heightened. Yet, in the upper limb, socket fabrication is largely driven by heuristic practices. An analytical understanding of the interactions between the socket and residual limb is absent in literature. This work describes techniques, adapted from lower limb prosthetic research, to empirically characterize the pressure distribution occurring between the residual limb and well-fit transhumeral prosthetic sockets. A case series analyzing the result of four participants with transhumeral amputation is presented. A Tekscan VersaTek pressure measurement system and FaroArm Edge coordinate measurement machine were employed to capture socket-residual limb interface pressures and geometrically register these values to the anatomy of participants. Participants performed two static poses with their prosthesis under two separate loading conditions. Surface pressure maps were constructed from the data, highlighting pressure distribution patterns, anatomical locations bearing maximum pressure, and the relative pressure magnitudes. Pressure distribution patterns demonstrated unique characteristics across the four participants that could be traced to individual socket design considerations. This work presents a technique that implements commercially available tools to quantitatively characterize upper limb socket-residual limb interactions. This is a fundamental first step toward improved socket designs developed through informed, analytically-based design tools.

The effect of motorcycle helmet fit on estimating head impact kinematics from residual liner crush.

Science.gov (United States)

Bonin, Stephanie J; Gardiner, John C; Onar-Thomas, Arzu; Asfour, Shihab S; Siegmund, Gunter P

2017-09-01

Proper helmet fit is important for optimizing head protection during an impact, yet many motorcyclists wear helmets that do not properly fit their heads. The goals of this study are i) to quantify how a mismatch in headform size and motorcycle helmet size affects headform peak acceleration and head injury criteria (HIC), and ii) to determine if peak acceleration, HIC, and impact speed can be estimated from the foam liner's maximum residual crush depth or residual crush volume. Shorty-style helmets (4 sizes of a single model) were tested on instrumented headforms (4 sizes) during linear impacts between 2.0 and 10.5m/s to the forehead region. Helmets were CT scanned to quantify residual crush depth and volume. Separate linear regression models were used to quantify how the response variables (peak acceleration (g), HIC, and impact speed (m/s)) were related to the predictor variables (maximum crush depth (mm), crush volume (cm 3 ), and the difference in circumference between the helmet and headform (cm)). Overall, we found that increasingly oversized helmets reduced peak headform acceleration and HIC for a given impact speed for maximum residual crush depths less than 7.9mm and residual crush volume less than 40cm 3 . Below these levels of residual crush, we found that peak headform acceleration, HIC, and impact speed can be estimated from a helmet's residual crush. Above these crush thresholds, large variations in headform kinematics are present, possibly related to densification of the foam liner during the impact. Copyright © 2017 Elsevier Ltd. All rights reserved.

Copper(II) Binding Sites in N-Terminally Acetylated α-Synuclein: A Theoretical Rationalization.

Science.gov (United States)

Ramis, Rafael; Ortega-Castro, Joaquín; Vilanova, Bartolomé; Adrover, Miquel; Frau, Juan

2017-08-03

The interactions between N-terminally acetylated α-synuclein and Cu(II) at several binding sites have been studied with DFT calculations, specifically with the M06 hybrid functional and the ωB97X-D DFT-D functional. In previous experimental studies, Cu(II) was shown to bind several α-synuclein residues, including Met1-Asp2 and His50, forming square planar coordination complexes. Also, it was determined that a low-affinity binding site exists in the C-terminal domain, centered on Asp121. However, in the N-terminally acetylated protein, present in vivo, the Met1 site is blocked. In this work, we simplify the representation of the protein by modeling each experimentally found binding site as a complex between an N-terminally acetylated α-synuclein dipeptide (or several independent residues) and a Cu(II) cation, and compare the results with a number of additional, structurally analogous sites not experimentally found. This way of representing the binding sites, although extremely simple, allows us to reproduce experimental results and to provide a theoretical rationale to explain the preference of Cu(II) for certain sites, as well as explicit geometrical structures for the complexes formed. These results are important to understand the interactions between α-synuclein and Cu(II), one of the factors inducing structural changes in the protein and leading to aggregated forms of it which may play a role in neurodegeneration.

Striking hematological abnormalities in patients with microcephalic osteodysplastic primordial dwarfism type II (MOPD II): a potential role of pericentrin in hematopoiesis.

Science.gov (United States)

Unal, Sule; Alanay, Yasemin; Cetin, Mualla; Boduroglu, Koray; Utine, Eda; Cormier-Daire, Valerie; Huber, Celine; Ozsurekci, Yasemin; Kilic, Esra; Simsek Kiper, Ozlem Pelin; Gumruk, Fatma

2014-02-01

Microcephalic osteodysplastic primordial dwarfism type II (MOPD II) is a rare primordial dwarfism that is similar to Seckel syndrome. Seckel syndrome is known to be associated with various hematological abnormalities; however, hematological findings in MOPD II patients have not been previously reported. The present study aimed to describe the hematological findings in a series of eight patients with MOPD II from a single center. The study included eight patients with MOPD II that were analyzed via molecular testing, and physical and laboratory examinations. Molecular testing showed that seven of the eight patients had pericentrin (PCNT) gene mutations. Hematological evaluation showed that 7 (87.5%) patients had thrombocytosis, 6 (75%) had leukocytosis, 5 (62.5%) had both leukocytosis and thrombocytosis, and 2 (25%) had anemia. We report leukocytosis and thrombocytosis as a common hematologic abnormality in patients with MOPD II. The present findings may improve our understanding of the potential function of the PCNT gene in hematopoietic cell proliferation and differentiation. © 2013 Wiley Periodicals, Inc.

Uncertainty estimation with bias-correction for flow series based on rating curve

Science.gov (United States)

Shao, Quanxi; Lerat, Julien; Podger, Geoff; Dutta, Dushmanta

2014-03-01

Streamflow discharge constitutes one of the fundamental data required to perform water balance studies and develop hydrological models. A rating curve, designed based on a series of concurrent stage and discharge measurements at a gauging location, provides a way to generate complete discharge time series with a reasonable quality if sufficient measurement points are available. However, the associated uncertainty is frequently not available even though it has a significant impact on hydrological modelling. In this paper, we identify the discrepancy of the hydrographers' rating curves used to derive the historical discharge data series and proposed a modification by bias correction which is also in the form of power function as the traditional rating curve. In order to obtain the uncertainty estimation, we propose a further both-side Box-Cox transformation to stabilize the regression residuals as close to the normal distribution as possible, so that a proper uncertainty can be attached for the whole discharge series in the ensemble generation. We demonstrate the proposed method by applying it to the gauging stations in the Flinders and Gilbert rivers in north-west Queensland, Australia.

Mutational properties of amino acid residues: implications for evolvability of phosphorylatable residues

DEFF Research Database (Denmark)

Creixell, Pau; Schoof, Erwin M.; Tan, Chris Soon Heng

2012-01-01

in terms of their mutational activity. Moreover, we highlight the importance of the genetic code and physico-chemical properties of the amino acid residues as likely causes of these inequalities and uncover serine as a mutational hot spot. Finally, we explore the consequences that these different......; it is typically assumed that all amino acid residues are equally likely to mutate or to result from a mutation. Here, by reconstructing ancestral sequences and computing mutational probabilities for all the amino acid residues, we refute this assumption and show extensive inequalities between different residues...... mutational properties have on phosphorylation site evolution, showing that a higher degree of evolvability exists for phosphorylated threonine and, to a lesser extent, serine in comparison with tyrosine residues. As exemplified by the suppression of serine's mutational activity in phosphorylation sites, our...

gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

Science.gov (United States)

Serçinoglu, Onur; Ozbek, Pemra

2018-05-25

Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

The Tracking Meteogram, an AWIPS II Tool for Time-Series Analysis

Science.gov (United States)

Burks, Jason Eric; Sperow, Ken

2015-01-01

A new tool has been developed for the National Weather Service (NWS) Advanced Weather Interactive Processing System (AWIPS) II through collaboration between NASA's Short-term Prediction Research and Transition (SPoRT) and the NWS Meteorological Development Laboratory (MDL). Referred to as the "Tracking Meteogram", the tool aids NWS forecasters in assessing meteorological parameters associated with moving phenomena. The tool aids forecasters in severe weather situations by providing valuable satellite and radar derived trends such as cloud top cooling rates, radial velocity couplets, reflectivity, and information from ground-based lightning networks. The Tracking Meteogram tool also aids in synoptic and mesoscale analysis by tracking parameters such as the deepening of surface low pressure systems, changes in surface or upper air temperature, and other properties. The tool provides a valuable new functionality and demonstrates the flexibility and extensibility of the NWS AWIPS II architecture. In 2014, the operational impact of the tool was formally evaluated through participation in the NOAA/NWS Operations Proving Ground (OPG), a risk reduction activity to assess performance and operational impact of new forecasting concepts, tools, and applications. Performance of the Tracking Meteogram Tool during the OPG assessment confirmed that it will be a valuable asset to the operational forecasters. This presentation reviews development of the Tracking Meteogram tool, performance and feedback acquired during the OPG activity, and future goals for continued support and extension to other application areas.

Cash Impact of the Consumable Item Transfer, Phase II

National Research Council Canada - National Science Library

1998-01-01

...). This report is the third in a series of reports regarding the consumable item transfer (CIT), phase II. The Deputy Secretary of Defense directed the transfer of the management of consumable items to Defense Logistics Agency...

Residual Z{sub 2} symmetries and leptonic mixing patterns from finite discrete subgroups of U(3)

Energy Technology Data Exchange (ETDEWEB)

Joshipura, Anjan S. [Physical Research Laboratory,Navarangpura, Ahmedabad 380 009 (India); Patel, Ketan M. [Indian Institute of Science Education and Research, Mohali,Knowledge City, Sector 81, S A S Nagar, Manauli 140 306 (India)

2017-01-30

We study embedding of non-commuting Z{sub 2} and Z{sub m}, m≥3 symmetries in discrete subgroups (DSG) of U(3) and analytically work out the mixing patterns implied by the assumption that Z{sub 2} and Z{sub m} describe the residual symmetries of the neutrino and the charged lepton mass matrices respectively. Both Z{sub 2} and Z{sub m} are assumed to be subgroups of a larger discrete symmetry group G{sub f} possessing three dimensional faithful irreducible representation. The residual symmetries predict the magnitude of a column of the leptonic mixing matrix U{sub PMNS} which are studied here assuming G{sub f} as the DSG of SU(3) designated as type C and D and large number of DSG of U(3) which are not in SU(3). These include the known group series Σ(3n{sup 3}), T{sub n}(m), Δ(3n{sup 2},m), Δ(6n{sup 2},m) and Δ{sup ′}(6n{sup 2},j,k). It is shown that the predictions for a column of |U{sub PMNS}| in these group series and the C and D types of groups are all contained in the predictions of the Δ(6N{sup 2}) groups for some integer N. The Δ(6N{sup 2}) groups therefore represent a sufficient set of G{sub f} to obtain predictions of the residual symmetries Z{sub 2} and Z{sub m}.

Self-potential time series analysis in a seismic area of the Southern Apennines: preliminary results

Directory of Open Access Journals (Sweden)

V. Tramutoli

1994-06-01

Full Text Available The self-potential time series recorded during the period May 1991 - August 1992 by an automatic station, located in a seismic area of Southern Apennines, is analyzed. We deal with the spectral and the statistical features of the electrotellurie precursors: they can play a major role in the approach to seismic prediction. The time-dynamics of the experimental time series is investigated, the cyclic components and the time trends are removed. In particular we consider the influence of external noise, related to anthropic activities and meteoclimatic parameters, and pick out the anomalies from the residual series. Finally we show the preliminary results of the correlation between the anomalies in the time patterns of self-potential data and the earthquakes which occurred in the area.

Evaluation of residue-residue contact prediction in CASP10

KAUST Repository

Monastyrskyy, Bohdan

2013-08-31

We present the results of the assessment of the intramolecular residue-residue contact predictions from 26 prediction groups participating in the 10th round of the CASP experiment. The most recently developed direct coupling analysis methods did not take part in the experiment likely because they require a very deep sequence alignment not available for any of the 114 CASP10 targets. The performance of contact prediction methods was evaluated with the measures used in previous CASPs (i.e., prediction accuracy and the difference between the distribution of the predicted contacts and that of all pairs of residues in the target protein), as well as new measures, such as the Matthews correlation coefficient, the area under the precision-recall curve and the ranks of the first correctly and incorrectly predicted contact. We also evaluated the ability to detect interdomain contacts and tested whether the difficulty of predicting contacts depends upon the protein length and the depth of the family sequence alignment. The analyses were carried out on the target domains for which structural homologs did not exist or were difficult to identify. The evaluation was performed for all types of contacts (short, medium, and long-range), with emphasis placed on long-range contacts, i.e. those involving residues separated by at least 24 residues along the sequence. The assessment suggests that the best CASP10 contact prediction methods perform at approximately the same level, and comparably to those participating in CASP9.

Proceedings of the 7. biennial residue-to-revenue residual wood conference 2007

International Nuclear Information System (INIS)

Raulin, J.

2007-01-01

This conference provided information on the highest and best use of residual wood, which is quickly becoming a valuable commodity. Issues concerning forest residues, sawmill wastes, agricultural residues and urban organic materials were discussed along with trends in Canadian surplus mill waste production. The evolving nature and technologies of the biomass business were highlighted with particular focus on how to generate energy and save money through the use of residual wood. Residual wood energy projects and developments in Canada, North America and Europe were outlined along with biomass development in relation to forest fires and insect disturbances. Cogeneration technologies using wood wastes for thermal heat, steam and electricity were also presented, along with transportation fuel technologies for the production of ethanol. It was noted that with the rising cost of energy, the forest industry is seeking energy solutions based on the use of residual wood. The range of economically practical residual wood solutions continues to grow as energy prices increase. The conference was attended by more than 200 delegates from the forest industry, suppliers and government representatives, to discuss policies and procedures currently in place. Industry investment is being stimulated by the potential for biofuels and biochemicals, as well as the co-operation between the forest and energy sectors. The conference featured 23 presentations, of which 12 have been catalogued separately for inclusion in this database. refs., tabs., figs

Effect of pyrolysis temperature on chemical form, behavior and environmental risk of Zn, Pb and Cd in biochar produced from phytoremediation residue.

Science.gov (United States)

Huang, Hui; Yao, Wenlin; Li, Ronghua; Ali, Amjad; Du, Juan; Guo, Di; Xiao, Ran; Guo, Zhanyu; Zhang, Zengqiang; Awasthi, Mukesh Kumar

2018-02-01

This study aimed to evaluate the chemical forms, behavior and environmental risk of heavy metal (HMs) Zn, Pb and Cd in phytoremediation residue (PMR) pyrolyzed at 350 °C, 550 °C and 750 °C, respectively. The behavior of HMs variation during the PMR pyrolysis process was analyzed and the potential HMs environmental risk of phytoremediation residue biochars (PMB) was assessed which was seldom investigated before. The results showed that the pyrolysis temperature increase decreased the soluble/exchangeable HMs fraction and alleviated the HMs bioavailability. When the temperature was over 550 °C, the adsorbed Zn(II), Pb(II) and Cd(II) were turned into oxides forms and concentrated in PMB with more stable forms exhibiting lower risk assessment code and potential ecological risk index. The ecotoxicity test showed higher pyrolysis temperature favored the reduction of PMB ecotoxicity. It is suggested that pyrolysis temperature above 550°C may be suitable for thermal treatment of PMR with acceptable environmental risk. Copyright © 2017 Elsevier Ltd. All rights reserved.

VEHICLES REGISTERED IN THE FRENCH SPECIAL SERIES '431 K...' AND '431 CD...'

CERN Multimedia

Relations with the Host States Service

2002-01-01

1. Registration a) Entitlement Only members of the personnel holding a Carte spéciale (AT or FI series) or a Carte diplomatique (CD series), issued by the French Ministry of Foreign Affairs (hereinafter 'MAE'), are entitled to register vehicles in the '431 K ...' or '431 CD ...' special series (green plates). It is compulsory to register in one of these series vehicles that have been purchased or imported free of tax and/or customs duty. In the event of standard registration at a later date, the duty and/or tax will have to be paid on the basis of the currently applicable rates and the vehicle's residual value. Registration in one of these series is optional if the duty and/or tax has been paid in a European Union Member State. In this case, you are strongly recommended to retain documentary evidence of payment and pass this on to any subsequent buyer of the vehicle. This documentation will be required if a standard registration needs to be issued. Without it, the duty and/or tax will have to be pa...

High stability and biological activity of the copper(II) complexes of alloferon 1 analogues containing tryptophan.

Science.gov (United States)

Kadej, Agnieszka; Kuczer, Mariola; Czarniewska, Elżbieta; Urbański, Arkadiusz; Rosiński, Grzegorz; Kowalik-Jankowska, Teresa

2016-10-01

Copper(II) complex formation processes between the alloferon 1 (Allo1) (HGVSGHGQHGVHG) analogues where the tryptophan residue is introducing in the place His residue H1W, H6W, H9W and H12W have been studied by potentiometric, UV-visible, CD and EPR spectroscopic, and MS methods. For all analogues of alloferon 1 complex speciation have been obtained for a 1:1 metal-to-ligand molar ratio and 2:1 of H1W because of precipitation at higher (2:1, 3:1 and 4:1) ratios. At physiological pH7.4 and a 1:1 metal-to-ligand molar ratio the tryptophan analogues of alloferon 1 form the CuH -1 L and/or CuH -2 L complexes with the 4N binding mode. The introduction of tryptophan in place of histidine residues changes the distribution diagram of the complexes formed with the change of pH and their stability constants compared to the respective substituted alanine analogues of alloferon 1. The CuH -1 L, CuH -2 L and CuH -3 L complexes of the tryptophan analogues are more stable from 1 to 5 log units in comparison to those of the alanine analogues. This stabilization of the complexes may result from cation(Cu(II))-π and indole/imidazole ring interactions. The induction of apoptosis in vivo, in Tenebrio molitor cells by the ligands and their copper(II) complexes at pH7.4 was studied. The biological results show that copper(II) ions in vivo did not cause any apparent apoptotic features. The most active were the H12W peptide and Cu(II)-H12W complex formed at pH7.4. Copyright © 2016 Elsevier Inc. All rights reserved.

Wet tropospheric delays forecast based on Vienna Mapping Function time series analysis

Science.gov (United States)

Rzepecka, Zofia; Kalita, Jakub

2016-04-01

It is well known that the dry part of the zenith tropospheric delay (ZTD) is much easier to model than the wet part (ZTW). The aim of the research is applying stochastic modeling and prediction of ZTW using time series analysis tools. Application of time series analysis enables closer understanding of ZTW behavior as well as short-term prediction of future ZTW values. The ZTW data used for the studies were obtained from the GGOS service hold by Vienna technical University. The resolution of the data is six hours. ZTW for the years 2010 -2013 were adopted for the study. The International GNSS Service (IGS) permanent stations LAMA and GOPE, located in mid-latitudes, were admitted for the investigations. Initially the seasonal part was separated and modeled using periodic signals and frequency analysis. The prominent annual and semi-annual signals were removed using sines and consines functions. The autocorrelation of the resulting signal is significant for several days (20-30 samples). The residuals of this fitting were further analyzed and modeled with ARIMA processes. For both the stations optimal ARMA processes based on several criterions were obtained. On this basis predicted ZTW values were computed for one day ahead, leaving the white process residuals. Accuracy of the prediction can be estimated at about 3 cm.

Research Ethics II: Mentoring, Collaboration, Peer Review, and Data Management and Ownership

Science.gov (United States)

Horner, Jennifer; Minifie, Fred D.

2011-01-01

Purpose: In this series of articles--"Research Ethics I", "Research Ethics II", and "Research Ethics III"--the authors provide a comprehensive review of the 9 core domains for the responsible conduct of research (RCR) as articulated by the Office of Research Integrity. In "Research Ethics II", the authors review the RCR domains of mentoring,…

The Photoplethismographic Signal Processed with Nonlinear Time Series Analysis Tools

International Nuclear Information System (INIS)

Hernandez Caceres, Jose Luis; Hong, Rolando; Garcia Lanz, Abel; Garcia Dominguez, Luis; Cabannas, Karelia

2001-01-01

Finger photoplethismography (PPG) signals were submitted to nonlinear time series analysis. The applied analytical techniques were: (i) High degree polynomial fitting for baseline estimation; (ii) FFT analysis for estimating power spectra; (iii) fractal dimension estimation via the Higuchi's time-domain method, and (iv) kernel nonparametric estimation for reconstructing noise free-attractors and also for estimating signal's stochastic components

The adherence of aluminide coatings on MANET II stainless steel and their effect on its mechanical properties

International Nuclear Information System (INIS)

Sample, T.; Fenici, P.; Kolbe, H.; Orecchia, L.

1994-01-01

This paper describes the production and testing of two different aluminide coatings on the surface of MANET II stainless steel. The coatings were produced by heat treatment of a pure aluminium layer (∼ 100 μm) which had been deposited by vacuum plasma spray. Series 1 coatings were produced by a single heat treatment (1023 K/2h) while series 2 coatings were produced by two consecutive heat treatments (1348 K/30 min, 1023 K/2h). Series 1 coatings were ∼ 120 μm thick, richer in aluminium and harder than series 2 coatings which formed two layers of ∼ 120 μm each. Due to their softer character, series 2 coatings exhibited a greater resistance to cracking under cyclic testing than series 1 coatings. Tensile tests of coated specimens indicated that the coating procedures did not degrade the mechanical properties of the bulk MANET II. (author) 8 refs.; 3 figs.; 3 tabs

Solid residues

International Nuclear Information System (INIS)

Mulder, E.; Duin, P.J. van; Grootenboer, G.J.

1995-01-01

A summary is presented of the many investigations that have been done on solid residues of atmospheric fluid bed combustion (AFBC). These residues are bed ash, cyclone ash and bag filter ash. Physical and chemical properties are discussed and then the various uses of residues (in fillers, bricks, gravel, and for recovery of aluminium) are summarised. Toxicological properties of fly ash and stack ash are discussed as are risks of pneumoconiosis for workers handling fly ash, and contamination of water by ashes. On the basis of present information it is concluded that risks to public health from exposure to emissions of coal fly ash from AFBC appear small or negligible as are health risk to workers in the coal fly ash processing industry. 35 refs., 5 figs., 12 tabs

Purity Assessment of Organic Reference Materials with a Mass Balance Method: A Case Study of Endosulfan-II

International Nuclear Information System (INIS)

Kim, Seunghyun; Lee, Joonhee; Ahn, Seonghee; Song, Youngsin; Kim, Dongkyun; Kim, Byungjoo

2013-01-01

A mass balance method established in this laboratory was applied to determine the purity of an endosulfan-II pure substance. Gas chromatography-flame ionization detector (GC-FID) was used to measure organic impurities. Total of 10 structurally related organic impurities were detected by GC-FID in the material. Water content was determined to be 0.187% by Karl-Fischer (K-F) coulometry with an oven-drying method. Nonvolatile residual impurities was not detected by Thermal gravimetric analysis (TGA) within the detection limit of 0.04% (0.7 μg in absolute amount). Residual solvents within the substance were determined to be 0.007% in the Endosulfan-II pure substance by running GC-FID after dissolving it with two solvents. The purity of the endosulfan-II was finally assigned to be (99.17 ± 0.14)%. Details of the mass balance method including interpretation and evaluating uncertainties of results from each individual methods and the finally assayed purity were also described

Baseline series fragrance markers fail to predict contact allergy.

Science.gov (United States)

Mann, Jack; McFadden, John P; White, Jonathan M L; White, Ian R; Banerjee, Piu

2014-05-01

Negative patch test results with fragrance allergy markers in the European baseline series do not always predict a negative reaction to individual fragrance substances. To determine the frequencies of positive test reactions to the 26 fragrance substances for which labelling is mandatory in the EU, and how effectively reactions to fragrance markers in the baseline series predict positive reactions to the fragrance substances that are labelled. The records of 1951 eczema patients, routinely tested with the labelled fragrance substances and with an extended European baseline series in 2011 and 2012, were retrospectively reviewed. Two hundred and eighty-one (14.4%) (71.2% females) reacted to one or more allergens from the labelled-fragrance substance series and/or a fragrance marker from the European baseline series. The allergens that were positive with the greatest frequencies were cinnamyl alcohol (48; 2.46%), Evernia furfuracea (44; 2.26%), and isoeugenol (40; 2.05%). Of the 203 patients who reacted to any of the 26 fragrances in the labelled-fragrance substance series, only 117 (57.6%) also reacted to a fragrance marker in the baseline series. One hundred and seven (52.7%) reacted to either fragrance mix I or fragrance mix II, 28 (13.8%) reacted to Myroxylon pereirae, and 13 (6.4%) reacted to hydroxyisohexyl 3-cyclohexene carboxaldehyde. These findings confirm that the standard fragrance markers fail to identify patients with contact allergies to the 26 fragrances. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

A new probe of solvent accessibility of bound photosensitizers. 1. Ruthenium(II) and osmium(II) photosensitizers in sodium lauryl sulfate micelles

International Nuclear Information System (INIS)

Hauenstein, B.L. Jr.; Dressick, W.J.; Buell, S.L.; Demas, J.N.; DeGraff, B.A.

1983-01-01

A new method of measuring solvent accessibility of photosensitizers bound to organized media is presented. In particular, the solvent accessibility of a series of ruthenium(II) and osmium(II) photosensitizers bound to sodium lauryl sulfate micelles has been determined. The method takes advantage of the large solvent deuterium effect on the excited-state lifetimes of these complexes. The solvent accessibility of the bound complexes correlates with the hydrophobicity of the ligands. The potential application of this method to a variety of other systems is mentioned

Structure dependent hydrophobic and hydrophilic interactions between nickel(II) Schiff base complexes and serum albumins: Spectroscopic and docking studies

Energy Technology Data Exchange (ETDEWEB)

Koley Seth, Banabithi; Ray, Aurkie; Banerjee, Mousumi; Bhattacharyya, Teerna [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Bhattacharyya, Dhananjay [Computational Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Basu, Samita, E-mail: samita.basu@saha.ac.in [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India)

2016-03-15

A systematic and comparative binding study between serum-albumins (SA) and a series of monomeric nickel(II)-Schiff-base-complexes (NSCs), which might be imperative to investigate the function of SA behind nickel allergy, has been carried out through docking and different spectroscopic techniques. The initial docking studies indicate structure-dependent selective hydrophobic and hydrophilic interactions. The pyridine and phenyl containing NSCs, which are more aromatic, show better π–π staking compared to pyrrole one. Again all the NSCs bind with BSA though amino acid residues of IB domain affecting local environment of the Trp-134 surrounded by both hydrophobic and hydrophilic residues instead of the hydrophobically buried Trp-212. In HSA the hydophobically buried Trp-214 is influenced by NSCs. The experimental results nicely support the docking outcomes. The changes in Gibbs free energy, binding affinity and the nature of hydrophilic/hydrophobic interactions of NSC–SA systems indicate greater accessibility of N{sub 2}O{sub 2} donor set complex compared to N{sub 4} one towards SA. Quantum chemical structure optimizations support the better planarity of NSC with N{sub 2}O{sub 2} which provides better binding. Therefore the structural variation of N{sub 2}O{sub 2} donor set complexes becomes much more useful compared to N{sub 4} one to search out the most compatible NSC towards SAs.

Application of Carrier Element-Free Co-precipitation Method for Ni(II), Cu(II) and Zn(II) Ions Determination in Water Samples Using Chrysin

International Nuclear Information System (INIS)

Layth Imad Abd Ali; Wan Aini Wan Ibrahim; Azli Sulaiman; Mohd Marsin Sanagi

2015-01-01

A co-precipitation method was developed to separate and pre-concentrate Ni(II), Cu(II) and Zn(II) ions using an organic co precipitant, chrysin without adding any carrier element termed as carrier element-free co-precipitation (CEFC). Analytes were determined using flame atomic absorption spectrometry (FAAS). The influence of analytical conditions, such as pH of the solution, quantity of co-precipitant, standing time, centrifugation rate and time, sample volume, and interference of concomitant ions were investigated over the recovery yields of the trace metals. The limit of detection, the limit of quantification and linearity range obtained from the FAAS measurements were found to be in the range of 0.64 to 0.86 μg L -1 , 2.13 to 2.86 μg L -1 and 0.9972 to 0.9989 for Ni(II), Cu(III) and Zn(II) ions, respectively. The precision of the method, evaluated as the relative standard deviation (RSD) obtained after analyzing a series of 10 replicates, was between 2.6 % to 3.9 % for the trace metal ions. The proposed procedure was applied and validated by analyzing river water reference material for trace metals (SLRS-5) and spiking trace metal ions in some water samples. The recoveries of the analyte metal ions were between 94.7-101.2 %. (author)

Effects of relative density and accumulated shear strain on post-liquefaction residual deformation

Directory of Open Access Journals (Sweden)

J. Kim

2013-10-01

Full Text Available The damage caused by liquefaction, which occurs following an earthquake, is usually because of settlement and lateral spreading. Generally, the evaluation of liquefaction has been centered on settlement, that is, residual volumetric strain. However, in actual soil, residual shear and residual volumetric deformations occur simultaneously after an earthquake. Therefore, the simultaneous evaluation of the two phenomena and the clarification of their relationship are likely to evaluate post-liquefaction soil behaviors more accurately. Hence, a quantitative evaluation of post-liquefaction damage will also be possible. In this study, the effects of relative density and accumulated shear strain on post-liquefaction residual deformations were reviewed through a series of lateral constrained-control hollow cylindrical torsion tests under undrained conditions. In order to identify the relationship between residual shear and residual volumetric strains, this study proposed a new test method that integrates monotonic loading after cyclic loading, and K0-drain after cyclic loading – in other words, the combination of cyclic loading, monotonic loading, and the K0 drain. In addition, a control that maintained the lateral constrained condition across all the processes of consolidation, cyclic loading, monotonic loading, and drainage was used to reproduce the anisotropy of in situ ground. This lateral constrain control was performed by controlling the axial strain, based on the assumption that under undrained conditions, axial and lateral strains occur simultaneously, and unless axial strain occurs, lateral strain does not occur. The test results confirmed that the recovery of effective stresses, which occur during monotonic loading and drainage after cyclic loading, respectively, result from mutually different structural restoration characteristics. In addition, in the ranges of 40–60% relative density and 50–100% accumulated shear strain, relative

2016 FACET-II Science Workshop Summary Report

Energy Technology Data Exchange (ETDEWEB)

Hogan, Mark J., ed.

2017-07-19

The second in a series of FACET-II Science Workshops was held at SLAC National Accelerator Laboratory on October 17-19, 2016 [1]. The workshop drew thirty-five participants from eighteen different institutions including CERN, DESY, Ecole Polytechnique, FNAL, JAI, LBNL, LLNL, Radiabeam, Radiasoft, SLAC, Stony Brook, Strathclyde, Tech-X, Tsinghua, UC Boulder, UCLA and UT Austin. The 2015 workshop [2, 3] helped prioritize research directions for FACET-II. The 2016 workshop was focused on understanding what improvements are needed at the facility to support the next generation of experiments. All presentations are linked to the workshop website as a permanent record.

Agricultural residues as fuel for producer gas generation. Report from a test series with coconut shells, coconut husks, wheat straw and sugar cane

Energy Technology Data Exchange (ETDEWEB)

Hoeglund, C

1981-08-01

This paper reports on results from a series of tests with four different types of agricultural residues as fuel for producer gas generation. The fuels are coconut shells, coconut husks, pelletized wheat straw and pressed sugar cane. The tests were made with a 73 Hp agricultural tractor diesel engine equipped with a standard gasifier developed for wood chips in Sweden, and run on a testbed at the Swedish National Machinery Testing Institute. The engine was operated on approximately 10 per cent diesel oil and 90 per cent producer gas. The gas composition, its calorific value and temperature, the pressure drop and the engine power were monitored. Detailed elementary analysis of the fuel and gas were carried out. Observations were also made regarding the important aspects of bridging and slagging in the gasifier. The tests confirmed that coconut shells make an excellent fuel for producer gas generation. After 8 hours of running no problems with slags and bridging were experienced. Coconut husks showed no bridging but some slag formation. The gasifier operated satisfactorily for this fuel. Pelletized wheat straw and pressed sugar cane appeared unsuitable as fuel in the unmodified test gasifier (Type F 300) due to slag formation. It is important to note, however, that the present results are not optimal for any of the fuel used, the gasifier being designed for wood-chips and not for the test-fuels used. Tests using appropriately modified gasifiers are planned for the future.

Two cycles of cisplatin-based chemotherapy for low-volume stage II seminoma: results of a retrospective, single-center case series.

Science.gov (United States)

Pichler, Renate; Leonhartsberger, Nicolai; Stöhr, Brigitte; Horninger, Wolfgang; Steiner, Hannes

2012-01-01

To report on the oncological outcome and toxicity of patients treated with 2 cycles of cisplatin-based chemotherapy for low-volume metastatic stage II seminoma. We retrospectively identified a case series of 15 patients with seminoma stage IIA (26.7%) and IIB (73.3%) who underwent chemotherapy consisting of 2 cycles of cisplatin, etoposide and bleomycin (PEB) (cisplatin 20 mg/m(2) on days 1-5, etoposide 100 mg/m(2) on days 1-5, bleomycin 30 mg on days 1, 8 and 15) according to patient preference (refusing a 3rd cycle of PEB) or institutional practice in the last decades. Complete staging before chemotherapy was available in all patients. Patient age, the side and diameter of the primary tumor, the size of the lymph nodes before and after chemotherapy, acute and late toxicity of chemotherapy, the incidence of second malignancies, the relapse-free rate and cancer-specific mortality were recorded. Chemotherapy was well tolerated and no episode of febrile neutropenia occurred. Thrombocytopenia grade 4 was not seen in any patient, while leukopenia grade 4 was observed in 4 (26.6%) patients. The mean (range) lymph node size decreased significantly from 2.54 cm (1.1-4.0) before chemotherapy to 0.75 cm (0.4-2.2) after chemotherapy (p < 0.001). After a median (range) follow-up of 60 (13-185) months, no patient had relapsed, no patient had died as a result of seminoma and second malignancy was seen in only 1 (6.6%) patient. These excellent long-term results from a retrospective case series of 2 cycles of PEB in stage IIA/IIB seminoma patients represent a hint for further research with a view to reducing treatment burden. However, these incidental findings should be studied in prospective trials prior to drawing any conclusions. Copyright © 2013 S. Karger AG, Basel.

Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-[gamma

Energy Technology Data Exchange (ETDEWEB)

Casimiro-Garcia, Agustin; Filzen, Gary F.; Flynn, Declan; Bigge, Christopher F.; Chen, Jing; Davis, Jo Ann; Dudley, Danette A.; Edmunds, Jeremy J.; Esmaeil, Nadia; Geyer, Andrew; Heemstra, Ronald J.; Jalaie, Mehran; Ohren, Jeffrey F.; Ostroski, Robert; Ellis, Teresa; Schaum, Robert P.; Stoner, Chad (Pfizer)

2013-03-07

Mining of an in-house collection of angiotensin II type 1 receptor antagonists to identify compounds with activity at the peroxisome proliferator-activated receptor-{gamma} (PPAR{gamma}) revealed a new series of imidazo[4,5-b]pyridines 2 possessing activity at these two receptors. Early availability of the crystal structure of the lead compound 2a bound to the ligand binding domain of human PPAR{gamma} confirmed the mode of interaction of this scaffold to the nuclear receptor and assisted in the optimization of PPAR{gamma} activity. Among the new compounds, (S)-3-(5-(2-(1H-tetrazol-5-yl)phenyl)-2,3-dihydro-1H-inden-1-yl)-2-ethyl-5-isobutyl-7-methyl-3H-imidazo[4,5-b]pyridine (2l) was identified as a potent angiotensin II type I receptor blocker (IC{sub 50} = 1.6 nM) with partial PPAR{gamma} agonism (EC{sub 50} = 212 nM, 31% max) and oral bioavailability in rat. The dual pharmacology of 2l was demonstrated in animal models of hypertension (SHR) and insulin resistance (ZDF rat). In the SHR, 2l was highly efficacious in lowering blood pressure, while robust lowering of glucose and triglycerides was observed in the male ZDF rat.

Gas Generation from K East Basin Sludges - Series II Testing

International Nuclear Information System (INIS)

Bryan, Samuel A.; Delegard, Calvin H.; Schmidt, Andrew J.; Sell, Rachel L.; Silvers, Kurt L.; Gano, Susan R.; Thornton, Brenda M.

2001-01-01

This report describes work to examine the gas generation behavior of actual K East (KE) Basin floor, pit and canister sludge. Mixed and unmixed and fractionated KE canister sludge were tested, along with floor and pit sludges from areas in the KE Basin not previously sampled. The first report in this series focused on gas generation from KE floor and canister sludge collected using a consolidated sampling technique. The third report will present results of gas generation testing of irradiated uranium fuel fragments with and without sludge addition. The path forward for management of the K Basin Sludge is to retrieve, ship, and store the sludge at T Plant until final processing at some future date. Gas generation will impact the designs and costs of systems associated with retrieval, transportation and storage of sludge

Data imputation analysis for Cosmic Rays time series

Science.gov (United States)

Fernandes, R. C.; Lucio, P. S.; Fernandez, J. H.

2017-05-01

The occurrence of missing data concerning Galactic Cosmic Rays time series (GCR) is inevitable since loss of data is due to mechanical and human failure or technical problems and different periods of operation of GCR stations. The aim of this study was to perform multiple dataset imputation in order to depict the observational dataset. The study has used the monthly time series of GCR Climax (CLMX) and Roma (ROME) from 1960 to 2004 to simulate scenarios of 10%, 20%, 30%, 40%, 50%, 60%, 70%, 80% and 90% of missing data compared to observed ROME series, with 50 replicates. Then, the CLMX station as a proxy for allocation of these scenarios was used. Three different methods for monthly dataset imputation were selected: AMÉLIA II - runs the bootstrap Expectation Maximization algorithm, MICE - runs an algorithm via Multivariate Imputation by Chained Equations and MTSDI - an Expectation Maximization algorithm-based method for imputation of missing values in multivariate normal time series. The synthetic time series compared with the observed ROME series has also been evaluated using several skill measures as such as RMSE, NRMSE, Agreement Index, R, R2, F-test and t-test. The results showed that for CLMX and ROME, the R2 and R statistics were equal to 0.98 and 0.96, respectively. It was observed that increases in the number of gaps generate loss of quality of the time series. Data imputation was more efficient with MTSDI method, with negligible errors and best skill coefficients. The results suggest a limit of about 60% of missing data for imputation, for monthly averages, no more than this. It is noteworthy that CLMX, ROME and KIEL stations present no missing data in the target period. This methodology allowed reconstructing 43 time series.

Residual efficacy of methoprene for control of Tribolium castaneum (Coleoptera: Tenebrionidae) larvae at different temperatures on varnished wood, concrete, and wheat

Science.gov (United States)

The residual efficacy of the juvenile hormone analogue, methoprene (Diacon II), was evaluated in bioassays using larvae of Tribolium castaneum (Herbst) exposed on varnished wood or unsealed concrete treated with a liquid formulation and held at different temperatures. When these surfaces were stored...

Algebra & trigonometry II essentials

CERN Document Server

REA, Editors of

2012-01-01

REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Algebra & Trigonometry II includes logarithms, sequences and series, permutations, combinations and probability, vectors, matrices, determinants and systems of equations, mathematica

The interaction between radiation and complexes of cis-Pt(II) and Rh(II): studies at the molecular and cellular level

International Nuclear Information System (INIS)

Chibber, R.

1985-01-01

As a first step in gaining an understanding of the relative cellular effects of the transition metal/nitroimidazole complexes the authors have examined the effect of radiation given to cells in the presence of metal complexes not containing a nitroimidazole ligand. The compounds used in the cellular work are a series of Rh(II) carboxylates, cisplatin and JM8 (CBDCA, cis-diammine-1, 1-cyclobutane dicarboxylate platinum (II)). In radiation chemical experiments, Rh(II) acetate and cisplatin were chosen to represent model systems. Results from these radiation chemical and cellular experiments then allow interpretation of the changes in biological response caused by these agents, which are discussed in terms of the mechanism(s) thought to be operative in radiosensitization. (author)

Alternate switching between MFC and MEC for H2O2 synthesis and residual removal in Bioelectro-Fenton system

DEFF Research Database (Denmark)

Zhang, Yifeng; Angelidaki, Irini

2016-01-01

Sustainable H2O2 supply and elimination of residual H2O2 are two key challenges to the Fenton processes treating recalcitrant contaminants. In this study, an innovative Bioelectro-Fenton system capable of alternate switching between microbial electrolysis cell (MEC) and microbial fuel cell (MFC......) mode of operation was developed to meet the challenges. In the MEC mode, H2O2 was electrochemically produced which reacts with Fenton’s reagent (Fe II) to form hydroxyradical. The residual H2O2 (unused H2O2) is removed as electron acceptor by switching the system to MFC mode. Complete decolorization...

Handling of Solid Residues

International Nuclear Information System (INIS)

Medina Bermudez, Clara Ines

1999-01-01

The topic of solid residues is specifically of great interest and concern for the authorities, institutions and community that identify in them a true threat against the human health and the atmosphere in the related with the aesthetic deterioration of the urban centers and of the natural landscape; in the proliferation of vectorial transmitters of illnesses and the effect on the biodiversity. Inside the wide spectrum of topics that they keep relationship with the environmental protection, the inadequate handling of solid residues and residues dangerous squatter an important line in the definition of political and practical environmentally sustainable. The industrial development and the population's growth have originated a continuous increase in the production of solid residues; of equal it forms, their composition day after day is more heterogeneous. The base for the good handling includes the appropriate intervention of the different stages of an integral administration of residues, which include the separation in the source, the gathering, the handling, the use, treatment, final disposition and the institutional organization of the administration. The topic of the dangerous residues generates more expectation. These residues understand from those of pathogen type that are generated in the establishments of health that of hospital attention, until those of combustible, inflammable type, explosive, radio-active, volatile, corrosive, reagent or toxic, associated to numerous industrial processes, common in our countries in development

Carcinoma of the uterine cervix stage IB and early stage II. Prognostic value of the histological tumor regression after initial brachytherapy

International Nuclear Information System (INIS)

Calais, G.; Le Floch, O.; Chauvet, B.; Reynaud-Bougnoux, A.; Bougnoux, P.

1989-01-01

In our center limited centro pelvic invasive carcinomas of the uterine cervix (less than 4 cm) are treated with brachytherapy and surgery. With these therapeutic modalities no residual carcinoma was observed for 80% of the patients. The purpose of this study was to evaluate our results with this treatment, and to evaluate the prognostic value of the pathological status of the cervix. From 1976 to 1987 we have treated 115 patients with these modalities. Staging system used was the FIGO classification modified for Stage II (divided in early Stage II and late Stage II). Patients were Stage IB (70 cases) and early Stage II (45 cases); 60 Gy were delivered with utero vaginal brachytherapy before any treatment. Six weeks later a radical hysterectomy with pelvic lymphadenectomy was performed. Twenty-one patients with positive nodes received a pelvic radiotherapy (45 to 55 Gy). Local control rate was 97% (100% for Stage IB and 93% for early Stage II). Uncorrected 10-year actuarial survival rate was 96% for Stage IB and 80% for early Stage II patients. No treatment failure was observed for Stage IB patients. Ninety-two patients (80%) had no residual carcinoma in the cervix (group 1) and 23 patients (20%) had a residual tumor (group 2). The sterilization rate of the cervix was 87% for Stage IB tumors versus 69% for early Stage II, and was 82% for N- patients versus 68% for N+ patients. Ten year actuarial survival rate was 92% for group 1 and 78% for group 2 (p = 0, 1). Grade 3 complications rate was 6%. We conclude that brachytherapy + surgery is a safe treatment for limited centro pelvic carcinomas of the uterine cervix (especially Stage IB) and that pathological status of the cervix after brachytherapy is not a prognostic factor

Solving the cardiac hypertrophy riddle: The angiotensin II-mechanical stress connection.

Science.gov (United States)

Zablocki, Daniela; Sadoshima, Junichi

2013-11-08

A series of studies conducted 20 years ago, documenting the cardiac hypertrophy phenotype and its underlying signaling mechanism induced by angiotensin II (Ang II) and mechanical stress, showed a remarkable similarity between the effect of the Gαq agonist and that of mechanical forces on cardiac hypertrophy. Subsequent studies confirmed the involvement of autocrine/paracrine mechanisms, including stretch-induced release of Ang II in load-induced cardiac hypertrophy. Recent studies showed that the Ang II type 1 (AT1) receptor is also directly activated by mechanical forces, suggesting that AT1 receptors play an important role in mediating load-induced cardiac hypertrophy through both ligand- and mechanical stress-dependent mechanisms.

Two correlated quasiparticles states in the principal series approximation

International Nuclear Information System (INIS)

Dukelsky, J.; Dussel, G.G.; Sofia, H.M.

1983-01-01

The principal series approximation is extended to the description of two correlated quasiparticles states, enabling a treatment of these states that takes into account the coupling among the two particle Green's function and the particle-hole one. This description is related to a random phase approximation treatment of collective states in open shell nuclei that includes simultaneously the particle-particle and particle-hole versions of the nuclear residual Hamiltonian. Using separable interactions it is found that the inclusion of the particle-particle part of the Hamiltonians greatly changes the properties of the 2 + states in the Sn isotopes

Environmental assessment of incinerator residue utilisation

Energy Technology Data Exchange (ETDEWEB)

Toller, Susanna

2008-10-15

In Sweden, utilisation of incinerator residues outside disposal areas is restricted by environmental concerns, as such residues commonly contain greater amounts of potentially toxic trace elements than the natural materials they replace. On the other hand, utilisation can also provide environmental benefits by decreasing the need for landfill and reducing raw material extraction. This thesis provides increased knowledge and proposes better approaches for environmental assessment of incinerator residue utilisation, particularly bottom ash from municipal solid waste incineration (MSWI). A life cycle assessment (LCA) based approach was outlined for environmental assessment of incinerator residue utilisation, in which leaching of trace elements as well as other emissions to air and water and the use of resources were regarded as constituting the potential environmental impact from the system studied. Case studies were performed for i) road construction with or without MSWI bottom ash, ii) three management scenarios for MSWI bottom ash and iii) three management scenarios for wood ash. Different types of potential environmental impact predominated in the activities of the system and the scenarios differed in use of resources and energy. Utilising MSWI bottom ash in road construction and recycling of wood ash on forest land saved more natural resources and energy than when these materials were managed according to the other scenarios investigated, including dumping in landfill. There is a potential for trace element leaching regardless of how the ash is managed. Trace element leaching, particularly of copper (Cu), was identified as being relatively important for environmental assessment of MSWI bottom ash utilisation. CuO is suggested as the most important type of Cu-containing mineral in weathered MSWI bottom ash, whereas in the leachate Cu is mainly present in complexes with dissolved organic matter (DOM). The hydrophilic components of the DOM were more important for Cu

Amino acid substitutions in subunit 9 of the mitochondrial ATPase complex of Saccharomyces cerevisiae. Sequence analysis of a series of revertants of an oli1 mit- mutant carrying an amino acid substitution in the hydrophilic loop of subunit 9.

Science.gov (United States)

Willson, T A; Nagley, P

1987-09-01

This work concerns a biochemical genetic study of subunit 9 of the mitochondrial ATPase complex of Saccharomyces cerevisiae. Subunit 9, encoded by the mitochondrial oli1 gene, contains a hydrophilic loop connecting two transmembrane stems. In one particular oli1 mit- mutant 2422, the substitution of a positively charged amino acid in this loop (Arg39----Met) renders the ATPase complex non-functional. A series of 20 revertants, selected for their ability to grow on nonfermentable substrates, has been isolated from mutant 2422. The results of DNA sequence analysis of the oli1 gene in each revertant have led to the recognition of three groups of revertants. Class I revertants have undergone a same-site reversion event: the mutant Met39 is replaced either by arginine (as in wild-type) or lysine. Class II revertants maintain the mutant Met39 residue, but have undergone a second-site reversion event (Asn35----Lys). Two revertants showing an oligomycin-resistant phenotype carry this same second-site reversion in the loop region together with a further amino acid substitution in either of the two membrane-spanning segments of subunit 9 (either Gly23----Ser or Leu53----Phe). Class III revertants contain subunit 9 with the original mutant 2422 sequence, and additionally carry a recessive nuclear suppressor, demonstrated to represent a single gene. The results on the revertants in classes I and II indicate that there is a strict requirement for a positively charged residue in the hydrophilic loop close to the boundary of the lipid bilayer. The precise location of this positive charge is less stringent; in functional ATPase complexes it can be found at either residue 39 or 35. This charged residue is possibly required to interact with some other component of the mitochondrial ATPase complex. These findings, together with hydropathy plots of subunit 9 polypeptides from normal, mutant and revertant strains, led to the conclusion that the hydrophilic loop in normal subunit 9

A Straight-Line Method for Analyzing Residual Drawdowns at an Observation Well

Directory of Open Access Journals (Sweden)

Mesut Çimen

2015-01-01

Full Text Available Determination of the hydraulic parameters (transmissivity and storage coefficients of a confined aquifer is important for effective groundwater resources. For this purpose, the residual drawdowns have been in use to estimate the aquifer parameters by the classical Theis recovery method. The proposed method of this paper depends on a straight-line through the field data and it helps to calculate the parameters quickly without any need for long-term pumping data. It is based on the expansion series of the Theis well function by consideration of three terms, and this approach is valid for the dimensionless time factor u′=S′r2/4Tt′≤0.2. The method can be applied reliably to extensive and homogeneous confined aquifers resulting in different storage coefficients during the pumping and recovery periods S≠S′. It presents a strength methodology for the parameters decision making from the residual data in the groundwater field of civil engineering.

Mutations in the Lactococcus lactis Ll.LtrB group II intron that retain mobility in vivo

Directory of Open Access Journals (Sweden)

D'Souza Lisa M

2002-12-01

Full Text Available Abstract Background Group II introns are mobile genetic elements that form conserved secondary and tertiary structures. In order to determine which of the conserved structural elements are required for mobility, a series of domain and sub-domain deletions were made in the Lactococcus lactis group II intron (Ll.LtrB and tested for mobility in a genetic assay. Point mutations in domains V and VI were also tested. Results The largest deletion that could be made without severely compromising mobility was 158 nucleotides in DIVb(1–2. This mutant had a mobility frequency comparable to the wild-type Ll.LtrB intron (ΔORF construct. Hence, all subsequent mutations were done in this mutant background. Deletion of DIIb reduced mobility to approximately 18% of wild-type, while another deletion in domain II (nts 404–459 was mobile to a minor extent. Only two deletions in DI and none in DIII were tolerated. Some mobility was also observed for a DIVa deletion mutant. Of the three point mutants at position G3 in DV, only G3A retained mobility. In DVI, deletion of the branch-point nucleotide abolished mobility, but the presence of any nucleotide at the branch-point position restored mobility to some extent. Conclusions The smallest intron capable of efficient retrohoming was 725 nucleotides, comprising the DIVb(1–2 and DII(iia,b deletions. The tertiary elements found to be nonessential for mobility were alpha, kappa and eta. In DV, only the G3A mutant was mobile. A branch-point residue is required for intron mobility.

Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.

Science.gov (United States)

Kucheriv, Olesia I; Shylin, Sergii I; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O; Gural'skiy, Il'ya A

2016-05-16

Discovery of spin-crossover (SCO) behavior in the family of Fe(II)-based Hofmann clathrates has led to a "new rush" in the field of bistable molecular materials. To date this class of SCO complexes is represented by several dozens of individual compounds, and areas of their potential application steadily increase. Starting from Fe(2+), square planar tetracyanometalates M(II)(CN)4(2-) (M(II) = Ni, Pd, Pt) and 2-substituted pyrazines Xpz (X = Cl, Me, I) as coligands we obtained a series of nine new Hofmann clathrate-like coordination frameworks. X-ray diffraction reveals that in these complexes Fe(II) ion has a pseudo-octahedral coordination environment supported by four μ4-tetracyanometallates forming its equatorial coordination environment. Depending on the nature of X and M, axial positions are occupied by two 2X-pyrazines (X = Cl and M(II) = Ni (1), Pd (2), Pt (3); X = Me and M(II) = Ni (4), Pd (5)) or one 2X-pyrazine and one water molecule (X = I and M(II) = Ni (7), Pd (8), Pt (9)), or, alternatively, two distinct Fe(II) positions with either two pyrazines or two water molecules (X = Me and M(II) = Pt (6)) are observed. Temperature behavior of magnetic susceptibility indicates that all compounds bearing FeN6 units (1-6) display cooperative spin transition, while Fe(II) ions in N5O or N4O2 surrounding are high spin (HS). Structural changes in the nearest Fe(II) environment upon low-spin (LS) to HS transition, which include ca. 10% Fe-N distance increase, lead to the cell expansion. Mössbauer spectroscopy is used to characterize the spin state of all HS, LS, and intermediate phases of 1-9 (see abstract figure). Effects of a pyrazine substituent and M(II) nature on the hyperfine parameters in both spin states are established.

Forecasting non-stationary diarrhea, acute respiratory infection, and malaria time-series in Niono, Mali.

Science.gov (United States)

Medina, Daniel C; Findley, Sally E; Guindo, Boubacar; Doumbia, Seydou

2007-11-21

Much of the developing world, particularly sub-Saharan Africa, exhibits high levels of morbidity and mortality associated with diarrhea, acute respiratory infection, and malaria. With the increasing awareness that the aforementioned infectious diseases impose an enormous burden on developing countries, public health programs therein could benefit from parsimonious general-purpose forecasting methods to enhance infectious disease intervention. Unfortunately, these disease time-series often i) suffer from non-stationarity; ii) exhibit large inter-annual plus seasonal fluctuations; and, iii) require disease-specific tailoring of forecasting methods. In this longitudinal retrospective (01/1996-06/2004) investigation, diarrhea, acute respiratory infection of the lower tract, and malaria consultation time-series are fitted with a general-purpose econometric method, namely the multiplicative Holt-Winters, to produce contemporaneous on-line forecasts for the district of Niono, Mali. This method accommodates seasonal, as well as inter-annual, fluctuations and produces reasonably accurate median 2- and 3-month horizon forecasts for these non-stationary time-series, i.e., 92% of the 24 time-series forecasts generated (2 forecast horizons, 3 diseases, and 4 age categories = 24 time-series forecasts) have mean absolute percentage errors circa 25%. The multiplicative Holt-Winters forecasting method: i) performs well across diseases with dramatically distinct transmission modes and hence it is a strong general-purpose forecasting method candidate for non-stationary epidemiological time-series; ii) obliquely captures prior non-linear interactions between climate and the aforementioned disease dynamics thus, obviating the need for more complex disease-specific climate-based parametric forecasting methods in the district of Niono; furthermore, iii) readily decomposes time-series into seasonal components thereby potentially assisting with programming of public health interventions

New Cu (II), Co(II) and Ni(II) complexes of chalcone derivatives: Synthesis, X-ray crystal structure, electrochemical properties and DFT computational studies

Science.gov (United States)

Tabti, Salima; Djedouani, Amel; Aggoun, Djouhra; Warad, Ismail; Rahmouni, Samra; Romdhane, Samir; Fouzi, Hosni

2018-03-01

The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)2(NH3), Cu(L)2(DMF)2 and Co(L)2(H2O). The crystal structure of the Cu(L)2(DMF)2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH3CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.

A device for uranium series leaching from glass fiber in HEPA filter

International Nuclear Information System (INIS)

Gye-Nam Kim; Hye-Min Park; Wang-Kyu Choi; Jei-Kwon Moon

2012-01-01

For the disposal of a high efficiency particulate air (HEPA) glass filter into the environment, the glass fiber should be leached to lower its radioactive concentration to the clearance level. To derive an optimum method for the removal of uranium series from a HEPA glass fiber, five methods were applied in this study. That is, chemical leaching by a 4.0 M HNO 3 -0.1 M Ce(IV) solution, chemical leaching by a 5 wt% NaOH solution, chemical leaching by a 0.5 M H 2 O 2 -1.0 M Na 2 CO 3 solution, chemical consecutive chemical leaching by a 4.0 M HNO 3 solution, and repeated chemical leaching by a 4.0 M HNO 3 solution were used to remove the uranium series. The residual radioactivity concentrations of 238 U, 235 U, 226 Ra, and 234 Th in glass after leaching for 5 h by the 4.0 M HNO 3 -0.1 M Ce(IV) solution were 2.1, 0.3, 1.1, and 1.2 Bq/g. The residual radioactivity concentrations of 238 U, 235 U, 226 Ra, and 234 Th in glass after leaching for 36 h by 4.0 M HNO 3 -0.1 M Ce(IV) solution were 76.9, 3.4, 63.7, and 71.9 Bq/g. The residual radioactivity concentrations of 238 U, 235 U, 226 Ra, and 234 Th in glass after leaching for 8 h by a 0.5 M H 2 O 2 -1.0 M Na 2 CO 3 solution were 8.9, 0.0, 1.91, and 6.4 Bq/g. The residual radioactivity concentrations of 238 U, 235 U, 226 Ra, and 234 Th in glass after consecutive leaching for 8 h by the 4.0 M HNO 3 solution were 2.08, 0.12, 1.55, and 2.0 Bq/g. The residual radioactivity concentrations of 238 U, 235 U, 226 Ra, and 234 Th in glass after three repetitions of leaching for 3 h by the 4.0 M HNO 3 solution were 0.02, 0.02, 0.29, and 0.26 Bq/g. Meanwhile, the removal efficiencies of 238 U, 235 U, 226 Ra, and 234 Th from the waste solution after its precipitation-filtration treatment with NaOH and alum for reuse of the 4.0 M HNO 3 waste solution were 100, 100, 93.3, and 100%. (author)

Napropamide residues in runoff and infiltration water from pepper production.

Science.gov (United States)

Antonious, George F; Patterson, Matthew A

2005-01-01

A field study was conducted on a Lowell silty loam soil of 2.7% organic matter at the Kentucky State University Research Farm, Franklin County, Kentucky. Eighteen universal soil loss equation (USLE) standard plots (22 x 3.7 m each) were established on a 10% slope. Three soil management practices were used: (i) class-A biosolids (sewage sludge), (ii) yard waste compost, each mixed with native soil at a rate of 50 ton acre(-1) on a dry-weight basis, and (iii) a no-mulch (NM) treatment (rototilled bare soil), used for comparison purposes. Devrinol 50-DF "napropamide" [N,N-diethyl-2-(1-naphthyloxy) propionamide] was applied as a preemergent herbicide, incorporated into the soil surface, and the plots were planted with 60-day-old sweet bell pepper seedlings. Napropamide residues one hour following spraying averaged 0.8, 0.4, and 0.3 microg g(-1) dry soil in sewage sludge, yard waste compost, and no-mulch treatments, respectively. Surface runoff water, runoff sediment, and napropamide residues in runoff were significantly reduced by the compost and biosolid treatments. Yard waste compost treatments increased water infiltration and napropamide residues in the vadose zone compared to sewage sludge and NM treatments. Total pepper yields from yard waste compost amended soils (9187 lbs acre(-1)) was significantly higher (P soil amended with class-A biosolids (6984 lbs acre(-1)) or the no-mulch soil (7162 lbs acre(-1)).

Modeling of human operator dynamics in simple manual control utilizing time series analysis. [tracking (position)

Science.gov (United States)

Agarwal, G. C.; Osafo-Charles, F.; Oneill, W. D.; Gottlieb, G. L.

1982-01-01

Time series analysis is applied to model human operator dynamics in pursuit and compensatory tracking modes. The normalized residual criterion is used as a one-step analytical tool to encompass the processes of identification, estimation, and diagnostic checking. A parameter constraining technique is introduced to develop more reliable models of human operator dynamics. The human operator is adequately modeled by a second order dynamic system both in pursuit and compensatory tracking modes. In comparing the data sampling rates, 100 msec between samples is adequate and is shown to provide better results than 200 msec sampling. The residual power spectrum and eigenvalue analysis show that the human operator is not a generator of periodic characteristics.

Prevalence and spectrum of residual symptoms in Lyme neuroborreliosis after pharmacological treatment: a systematic review.

Science.gov (United States)

Dersch, R; Sommer, H; Rauer, S; Meerpohl, J J

2016-01-01

Controversy exists about residual symptoms after pharmacological treatment of Lyme neuroborreliosis. Reports of disabling long-term sequels lead to concerns in patients and health care providers. We systematically reviewed the available evidence from studies reporting treatment of Lyme neuroborreliosis to assess the prevalence and spectrum of residual symptoms after treatment. A literature search was performed in three databases and three clinical trial registers to find eligible studies reporting on residual symptoms in patients after pharmacological treatment of LNB. Diagnosis must have been performed according to consensus-derived case definitions. No restrictions regarding study design or language were set. Symptom prevalence was pooled using a random-effects model. Forty-four eligible clinical trials and studies were found: 8 RCTs, 17 cohort studies, 2 case-control studies, and 17 case series. The follow-up period in the eligible studies ranged from 7 days to 20 years. The weighted mean proportion of residual symptoms was 28 % (95 % CI 23-34 %, n = 34 studies) for the latest reported time point. Prevalence of residual symptoms was statistically significantly higher in studies using the "possible" case definition (p = 0.0048). Cranial neuropathy, pain, paresis, cognitive disturbances, headache, and fatigue were statistically significantly lower in studies using the "probable/definite" case definition. LNB patients may experience residual symptoms after treatment with a prevalence of approximately 28 %. The prevalence and spectrum of residual symptoms differ according to the applied case definition. Symptoms like fatigue are not reported in studies using the "probable/definite" case definition. As the "possible" case definition is more unspecific, patients with other conditions may be included. Reports of debilitating fatigue and cognitive impairment after LNB, a "post-Lyme syndrome", could therefore be an artifact of unspecific case definitions in single

Thermodynamic controls on the kinetics of microbial low-pH Fe(II) oxidation.

Science.gov (United States)

Larson, Lance N; Sánchez-España, Javier; Kaley, Bradley; Sheng, Yizhi; Bibby, Kyle; Burgos, William D

2014-08-19

Acid mine drainage (AMD) is a major worldwide environmental threat to surface and groundwater quality. Microbial low-pH Fe(II) oxidation could be exploited for cost-effective AMD treatment; however, its use is limited because of uncertainties associated with its rate and ability to remove Fe from solution. We developed a thermodynamic-based framework to evaluate the kinetics of low-pH Fe(II) oxidation. We measured the kinetics of low-pH Fe(II) oxidation at five sites in the Appalachian Coal Basin in the US and three sites in the Iberian Pyrite Belt in Spain and found that the fastest rates of Fe(II) oxidation occurred at the sites with the lowest pH values. Thermodynamic calculations showed that the Gibbs free energy of Fe(II) oxidation (ΔG(oxidation)) was also most negative at the sites with the lowest pH values. We then conducted two series of microbial Fe(II) oxidation experiments in laboratory-scale chemostatic bioreactors operated through a series of pH values (2.1-4.2) and found the same relationships between Fe(II) oxidation kinetics, ΔG(oxidation), and pH. Conditions that favored the fastest rates of Fe(II) oxidation coincided with higher Fe(III) solubility. The solubility of Fe(III) minerals, thus plays an important role on Fe(II) oxidation kinetics. Methods to incorporate microbial low-pH Fe(II) oxidation into active and passive AMD treatment systems are discussed in the context of these findings. This study presents a simplified model that describes the relationship between free energy and microbial kinetics and should be broadly applicable to many biogeochemical systems.

Enhanced biosorption of mercury(II) and cadmium(II) by cold-induced hydrophobic exobiopolymer secreted from the psychrotroph Pseudomonas fluorescens BM07

Energy Technology Data Exchange (ETDEWEB)

Zamil, Sheikh Shawkat; Choi, Mun Hwan; Song, Jung Hyun; Park, Hyunju; Xu, Ju; Yoon, Sung Chul [Gyeongsang National Univ., Jinju (Korea). Nano-Biomaterials Science Lab.; Chi, Ki-Whan [Ulsan Univ. (Korea). Dept. of Chemistry

2008-09-15

The cells of psychrotrophic Pseudomonas fluorescens BM07 were found to secrete large amounts of exobiopolymer (EBP) composed of mainly hydrophobic (water insoluble) polypeptide(s) (as contain {proportional_to}50 mol% hydrophobic amino acids, lacking cysteine residue) when grown on fructose containing limited M1 medium at the temperatures as low as 0-10 C but trace amount at high (30 C, optimum growth) temperature. Two types of nonliving BM07 cells (i.e., cells grown at 30 C and 10 C) as well as the freeze-dried EBP were compared for biosorption of mercury (Hg(II)) and cadmium (Cd(II)). The optimum adsorption pH was found 7 for Hg(II) but 6 for Cd(II), irrespective of the type of biomass. Equilibrium adsorption data well fitted the Langmuir adsorption model. The maximum adsorption (Q{sub max}) was 72.3, 97.4, and 286.2 mg Hg(II)/g dry biomass and 18.9, 27.0, and 61.5 mg Cd(II)/g dry biomass for cells grown at 30 C and 10 C and EBP, respectively, indicating major contribution of heavy metal adsorption by cold-induced EBP. Mercury(II) binding induced a significant shift of infrared (IR) amide I and II absorption of EBP whereas cadmium(II) binding showed only a very little shift. These IR shifts demonstrate that mercury(II) and cadmium(II) might have different binding sites in EBP, which was supported by X-ray diffraction and differential scanning calorimetric analysis and sorption results of chemically modified biomasses. This study implies that the psychrotrophs like BM07 strain may play an important role in the bioremediation of heavy metals in the temperate regions especially in the inactive cold season. (orig.)

Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds

Science.gov (United States)

Dimova, Dilyana; Stumpfe, Dagmar; Bajorath, Jürgen

2018-01-01

Aim: Extending and generalizing the computational concept of analog series-based (ASB) scaffolds. Materials & methods: Methodological modifications were introduced to further increase the coverage of analog series (ASs) and compounds by ASB scaffolds. From bioactive compounds, ASs were systematically extracted and second-generation ASB scaffolds isolated. Results: More than 20,000 second-generation ASB scaffolds with single or multiple substitution sites were extracted from active compounds, achieving more than 90% coverage of ASs. Conclusion: Generalization of the ASB scaffold approach has yielded a large knowledge base of scaffold-capturing compound series and target information. PMID:29379641

PENETAPAN RESIDU DAN PERKIRAAN PENETAPAN BATAS MAKSIMUM RESIDU (BMR ORGANOKLORIN PADA SIMPLISIA

Directory of Open Access Journals (Sweden)

Ani Isnawati

2012-10-01

Full Text Available Penggunaaan bahan obat tradisional (simplisia untuk skala industri dan peningkatan produksi tanaman obat dalam skala besar menjadi tidak ekonomis tanpa pestisida. Disatu sisi penggunaan pestisida dapat menguntungkan yaitu menyebabkan toksis pada hama namun disisi lain toksisitas dapat terjadi juga pada manusia, sehingga residu pestisida dalam tanaman obat yang dikonsumsi dalam jangka panjang akan merugikan kesehatan. Batas maksimum Residu (BMR pestisida dalam simplisia baik di Indonesia maupun di negara lain belum ditetapkan. Sehingga untuk itu untuk mengetahui adanya residu pestisida jenis organoklorin yang telah dilarang penggunaannya melalui Permentan No.434.1/kpts/TP.270/7/2001 dan untuk mengetahui batas keamanannya, maka perlu dilakukan penetapan residu organoklorin dalam simplisia dan menetapkan batas keamanan berdasarkan perhitungan secara teoritis. Pengujian residu dilakukan terhadap golongan pestisida organoklorin pada 4 jenis simplisia (daun wungu (Graptophyllum pictum (L Grifl, daun sambiloto Andrographis paniculata Ness, herba pegagan (Centella  asiatica (L Urban, daun tempuyung (Sonchus arvensis (L yang berasal dari 3 lokasi penanaman, yaitu : perkebunan Tanaman Obat Manako (Jawa Barat, Balai Penelitian Tanaman Obat Tawangmangu (BPTO di Jawa Tengah dan Perkebunan Tanaman Obat Purwodadi (Jawa Timur. Pemeriksaan residu pestisida organoklorin menggunakan kromatografi gas dan perhitungan batas keamanan dihitung dengan adanya nilai ADI (Acceptable daily intake yang telah ditetapkan bersama antara JAO dan WHO serta perkiraan banyaknya konsumsi simplisia. Hasil Pengujian residu pestisida organoklorin diperoleh bahwa simplisia daun Wungu (Tawangmangu mengandung residu lindan dengan kadar 0,24 mg/kg, pegagan (Purwodadi, mengandung lindan 0,36 mg/kg dan aldrin 0,31 mg/kg serta pegagan (Manako mengandung heptaklor 0,15 mg/kg dan op-DDE 0,11 mg/kg. Adapun penghitungan BMR heptaklor dan lindan secara teoritis dengan asumsi rata

Modeling the Residual Stresses in Reactive Resins-Based Materials: a Case Study of Photo-Sensitive Composites for Dental Applications

International Nuclear Information System (INIS)

Grassia, Luigi; D'Amore, Alberto

2010-01-01

Residual stresses in reactive resins-based composites are associated to the net volumetric contraction (shrinkage) arising during the cross-linking reactions. Depending on the restoration geometry (the ratio of the free surface area to the volume of the cavity) the frozen-in stresses can be as high as the strength of the dental composites. This is the main reason why the effectiveness and then the durability of restorations with composites remains quite lower than those realized with metal alloys based materials. In this paper we first explore the possibility to circumvent the mathematical complexity arising from the determination of residual stresses in reactive systems three-dimensionally constrained. Then, the results of our modeling approach are applied to a series of commercially available composites showing that almost all samples develop residual stresses such that the restoration undergoes failure as soon as it is realized.

Extracting biologically significant patterns from short time series gene expression data

Directory of Open Access Journals (Sweden)

McGinnis Thomas

2009-08-01

Full Text Available Abstract Background Time series gene expression data analysis is used widely to study the dynamics of various cell processes. Most of the time series data available today consist of few time points only, thus making the application of standard clustering techniques difficult. Results We developed two new algorithms that are capable of extracting biological patterns from short time point series gene expression data. The two algorithms, ASTRO and MiMeSR, are inspired by the rank order preserving framework and the minimum mean squared residue approach, respectively. However, ASTRO and MiMeSR differ from previous approaches in that they take advantage of the relatively few number of time points in order to reduce the problem from NP-hard to linear. Tested on well-defined short time expression data, we found that our approaches are robust to noise, as well as to random patterns, and that they can correctly detect the temporal expression profile of relevant functional categories. Evaluation of our methods was performed using Gene Ontology (GO annotations and chromatin immunoprecipitation (ChIP-chip data. Conclusion Our approaches generally outperform both standard clustering algorithms and algorithms designed specifically for clustering of short time series gene expression data. Both algorithms are available at http://www.benoslab.pitt.edu/astro/.

Residual magnetic field in rotary machines; Campo magnetico residual en maquinas rotatorias

Energy Technology Data Exchange (ETDEWEB)

Gonzalez V, Esteban A; Apanco R, Marcelino [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

2007-07-01

The residual magnetism is a phenomenon in which the magnetic dipoles of a substance are oriented in a certain degree. On the other hand, when internal forces exist capable of aligning elementary magnetic dipoles of a material, a permanent magnet is obtained. Just as in a conductor or in a material, in the elements of a rotary electrical machine magnetic fields can be induced that produce a residual magnetism or magnetization. In the rotary electrical machines, the magnetization phenomenon causes serious problems, such as the generation of induced currents that propitiate the mechanical wear in bearings, collars, trunnions and inclusive in the shaft, by effects known as pitting, frosting and spark tracks, as well as erroneous readings in vibration and temperature sensors, that in some cases can cause the shut down of the machine. In this article are presented the general concepts on the residual magnetism in rotary electrical machines, the causes that originate it and the problems that arises, as well as the demagnetization of the components that have residual magnetic field. The results obtained by the area of Electrical Equipment of the Instituto de Investigaciones Electricas are revised, during the execution of activities related to the measurement and elimination of the residual magnetic field in rotary electrical machines. [Spanish] El magnetismo residual es un fenomeno en el que los dipolos magneticos de una sustancia se encuentran orientados en un grado determinado. Por otro lado, cuando existen fuerzas internas capaces de alinear los dipolos magneticos elementales de un material, se tiene un iman permanente. Al igual que en un conductor o un material, en los elementos de una maquina electrica rotatoria se pueden inducir campos magneticos que producen un magnetismo residual o magnetizacion. En las maquinas electricas rotatorias, el fenomeno de magnetizacion causa graves problemas, como la generacion de corrientes inducidas que propician el desgaste mecanico

The development of techniques for determining the residual life time prediction on NPP equipment

International Nuclear Information System (INIS)

Antonov, Alexander V.; Dagaev, Alexander V.; Volnikov, Ivan S.

1999-01-01

The problem of determining the residual life prediction of NPP equipment is presently highly pressing. NPP residual life resources are 30 years, but for particular equipment it is much less. Thus, residual life resource for equipment of control and protection system of NPP unit is 5-10 years. The NPP equipment is expensive and its replacing requires much expense. Hence an urgent problem is to study residual life resources of equipment on the basis of statistic information obtained during operation. Deterministic approach of determining residual life resources for particular equipment is widely known in the literature. Physical and statistical models are also being developed for determining the residual life, e.g. the model (loading-bearing capability). The present work offers the techniques of the residual life determination reasoning from statistic information of functioning objects in the process of operation. To put the techniques into effect it is necessary to have information about the time of operation of a group of objects of the same type, the number of failures; it is desirable to know failure operating time, order of the object replacement and the reason which caused the replacement (failure or planned preventive maintenance). Metrics is based on studying the parameters for the series of failures resulted from real statistic data. Then we can proceed to distribution density of the failure working time. For this purpose the Voltarra's equation of the second order is solved f(t) = ω(t) + ∫ 0 t f(t - τ)ω(τ)dτ. Since statistics of data sampling related to failure is small due to difficulties in solution of Voltaire's equation, the authors offer moderate method of solution for the above equation. After distribution density of the failure working time is determined the calculation of equipment residual life is made by the following formula: T τ (t) 1/P(τ)∫ 0 ∞ P(t)dt. The proposed techniques are realised as the software. In the course of working

Antimalarial activity of HIV-1 protease inhibitor in chromone series.

Science.gov (United States)

Lerdsirisuk, Pradith; Maicheen, Chirattikan; Ungwitayatorn, Jiraporn

2014-12-01

Increasing parasite resistance to nearly all available antimalarial drugs becomes a serious problem to human health and necessitates the need to continue the search for new effective drugs. Recent studies have shown that clinically utilized HIV-1 protease (HIV-1 PR) inhibitors can inhibit the in vitro and in vivo growth of Plasmodium falciparum. In this study, a series of chromone derivatives possessing HIV-1 PR inhibitory activity has been tested for antimalarial activity against P. falciparum (K1 multi-drug resistant strain). Chromone 15, the potent HIV-1 PR inhibitor (IC50=0.65μM), was found to be the most potent antimalarial compound with IC50=0.95μM while primaquine and tafenoquine showed IC50=2.41 and 1.95μM, respectively. Molecular docking study of chromone compounds against plasmepsin II, an aspartic protease enzyme important in hemoglobin degradation, revealed that chromone 15 exhibited the higher binding affinity (binding energy=-13.24kcal/mol) than the known PM II inhibitors. Thus, HIV-1 PR inhibitor in chromone series has the potential to be a new class of antimalarial agent. Copyright © 2014 Elsevier Inc. All rights reserved.

Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue–walnut shell

International Nuclear Information System (INIS)

Ding, Dahu; Lei, Zhongfang; Yang, Yingnan; Feng, Chuanping; Zhang, Zhenya

2014-01-01

Highlights: • Novel biosorbent for cesium removal was derived from agricultural residue. • It could remove cesium effectively from aqueous solution. • Large size of granules makes it easy to be separated from solutions. • The volume of used biosorbent could be significantly reduced after incineration. • Incinerated biosorbent has a low volume and a low cost final disposal. - Abstract: A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni II HCF III -WS) was developed to selectively remove cesium ion (Cs + ) from aqueous solutions. This paper showed the first integral study on Cs + removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2 h. As a special characteristic of Ni II HCF III -WS, acidic condition was preferred for Cs + removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni II HCF III -WS could selectively remove Cs + though the coexisting ions (Na + and K + in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni II HCF III -WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni II HCF III -WS) was reduced after incineration (at 500 °C for 2 h). Due to its relatively high distribution coefficient and significant volume reduction, Ni II HCF III -WS is expected to be a promising material for Cs + removal in practice

Amino acid residues involved in membrane insertion and pore formation of Clostridium botulinum C2 toxin.

Science.gov (United States)

Lang, Alexander E; Neumeyer, Tobias; Sun, Jianjun; Collier, R John; Benz, Roland; Aktories, Klaus

2008-08-12

The actin-ADP-ribosylating Clostridium botulinum C2 toxin consists of the enzymatic component C2I and the binding component C2II. C2II forms heptameric channels involved in translocation of the enzymatic component into the target cell. On the basis of the heptameric toxin channel, we studied functional consequences of mutagenesis of amino acid residues probably lining the lumen of the toxin channel. Substitution of glutamate-399 of C2II with alanine blocked channel formation and cytotoxicity of the holotoxin. Although cytotoxicity and rounding up of cells by C2I were completely blocked by exchange of phenylalanine-428 with alanine, the mutation increased potassium conductance caused by C2II in artificial membranes by about 2-3-fold over that of wild-type toxin. In contrast to its effects on single-channel potassium conductance in artificial membranes, the F428A mutation delayed the kinetics of pore formation in lipid vesicles and inhibited the activity of C2II in promoting (86)Rb (+) release from preloaded intact cells after pH shift of the medium. Moreover, F428A C2II exhibited delayed and diminished formation of C2II aggregates at low pH, indicating major changes of the biophysical properties of the toxin. The data indicate that phenylalanine-428 of C2II plays a major role in conformational changes occurring during pore formation of the binding component of C2II.

Prediction of vitamin interacting residues in a vitamin binding protein using evolutionary information

Directory of Open Access Journals (Sweden)

Panwar Bharat

2013-02-01

Full Text Available Abstract Background The vitamins are important cofactors in various enzymatic-reactions. In past, many inhibitors have been designed against vitamin binding pockets in order to inhibit vitamin-protein interactions. Thus, it is important to identify vitamin interacting residues in a protein. It is possible to detect vitamin-binding pockets on a protein, if its tertiary structure is known. Unfortunately tertiary structures of limited proteins are available. Therefore, it is important to develop in-silico models for predicting vitamin interacting residues in protein from its primary structure. Results In this study, first we compared protein-interacting residues of vitamins with other ligands using Two Sample Logo (TSL. It was observed that ATP, GTP, NAD, FAD and mannose preferred {G,R,K,S,H}, {G,K,T,S,D,N}, {T,G,Y}, {G,Y,W} and {Y,D,W,N,E} residues respectively, whereas vitamins preferred {Y,F,S,W,T,G,H} residues for the interaction with proteins. Furthermore, compositional information of preferred and non-preferred residues along with patterns-specificity was also observed within different vitamin-classes. Vitamins A, B and B6 preferred {F,I,W,Y,L,V}, {S,Y,G,T,H,W,N,E} and {S,T,G,H,Y,N} interacting residues respectively. It suggested that protein-binding patterns of vitamins are different from other ligands, and motivated us to develop separate predictor for vitamins and their sub-classes. The four different prediction modules, (i vitamin interacting residues (VIRs, (ii vitamin-A interacting residues (VAIRs, (iii vitamin-B interacting residues (VBIRs and (iv pyridoxal-5-phosphate (vitamin B6 interacting residues (PLPIRs have been developed. We applied various classifiers of SVM, BayesNet, NaiveBayes, ComplementNaiveBayes, NaiveBayesMultinomial, RandomForest and IBk etc., as machine learning techniques, using binary and Position-Specific Scoring Matrix (PSSM features of protein sequences. Finally, we selected best performing SVM modules and

Prediction of vitamin interacting residues in a vitamin binding protein using evolutionary information.

Science.gov (United States)

Panwar, Bharat; Gupta, Sudheer; Raghava, Gajendra P S

2013-02-07

The vitamins are important cofactors in various enzymatic-reactions. In past, many inhibitors have been designed against vitamin binding pockets in order to inhibit vitamin-protein interactions. Thus, it is important to identify vitamin interacting residues in a protein. It is possible to detect vitamin-binding pockets on a protein, if its tertiary structure is known. Unfortunately tertiary structures of limited proteins are available. Therefore, it is important to develop in-silico models for predicting vitamin interacting residues in protein from its primary structure. In this study, first we compared protein-interacting residues of vitamins with other ligands using Two Sample Logo (TSL). It was observed that ATP, GTP, NAD, FAD and mannose preferred {G,R,K,S,H}, {G,K,T,S,D,N}, {T,G,Y}, {G,Y,W} and {Y,D,W,N,E} residues respectively, whereas vitamins preferred {Y,F,S,W,T,G,H} residues for the interaction with proteins. Furthermore, compositional information of preferred and non-preferred residues along with patterns-specificity was also observed within different vitamin-classes. Vitamins A, B and B6 preferred {F,I,W,Y,L,V}, {S,Y,G,T,H,W,N,E} and {S,T,G,H,Y,N} interacting residues respectively. It suggested that protein-binding patterns of vitamins are different from other ligands, and motivated us to develop separate predictor for vitamins and their sub-classes. The four different prediction modules, (i) vitamin interacting residues (VIRs), (ii) vitamin-A interacting residues (VAIRs), (iii) vitamin-B interacting residues (VBIRs) and (iv) pyridoxal-5-phosphate (vitamin B6) interacting residues (PLPIRs) have been developed. We applied various classifiers of SVM, BayesNet, NaiveBayes, ComplementNaiveBayes, NaiveBayesMultinomial, RandomForest and IBk etc., as machine learning techniques, using binary and Position-Specific Scoring Matrix (PSSM) features of protein sequences. Finally, we selected best performing SVM modules and obtained highest MCC of 0.53, 0.48, 0.61, 0

Spectral Unmixing Analysis of Time Series Landsat 8 Images

Science.gov (United States)

Zhuo, R.; Xu, L.; Peng, J.; Chen, Y.

2018-05-01

Temporal analysis of Landsat 8 images opens up new opportunities in the unmixing procedure. Although spectral analysis of time series Landsat imagery has its own advantage, it has rarely been studied. Nevertheless, using the temporal information can provide improved unmixing performance when compared to independent image analyses. Moreover, different land cover types may demonstrate different temporal patterns, which can aid the discrimination of different natures. Therefore, this letter presents time series K-P-Means, a new solution to the problem of unmixing time series Landsat imagery. The proposed approach is to obtain the "purified" pixels in order to achieve optimal unmixing performance. The vertex component analysis (VCA) is used to extract endmembers for endmember initialization. First, nonnegative least square (NNLS) is used to estimate abundance maps by using the endmember. Then, the estimated endmember is the mean value of "purified" pixels, which is the residual of the mixed pixel after excluding the contribution of all nondominant endmembers. Assembling two main steps (abundance estimation and endmember update) into the iterative optimization framework generates the complete algorithm. Experiments using both simulated and real Landsat 8 images show that the proposed "joint unmixing" approach provides more accurate endmember and abundance estimation results compared with "separate unmixing" approach.

Synthesis and Characterization of the Adducts of Morpholinedithioccarbamate Complexes of Oxovanadium (IV, Nickel(II, and Copper(II with Piperidine and Morpholine

Directory of Open Access Journals (Sweden)

Mousami Sharma

2012-01-01

Full Text Available A series of 1:1 adducts of bis(morpholinedithiocarbamato complex of VO(IV, 1:1 and 1:2 adducts of bis(morpholinedithiocarbamato complexes of Ni(II and Cu(II with piperidine and morpholine have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility, IR, UV-Vis, and TGA/DTA techniques. Analytical data reveals that VO(IV complex forms only 1:1 adducts with the formula [VO(morphdtc2L].H2O while Ni(II and Cu(II complexes form both 1:1 and 1:2 adducts with 1:1 adducts having general formula Ni(morphdtc2.L and Cu(morphdtc2.L and 1:2 adducts having general formula Ni(morphdtc2.L2 and Cu(morphdtc2.L2 (morphdtc = morpholinedithiocarbamate, L = morpholine and piperidine. Antifungal activity of some complexes has been carried out against the fungal strain Fusarium oxysporium. Thermal studies indicate a continuous weight loss. A square pyramidal geometry has been proposed for the 1:1 adducts of Ni(II and Cu(II complexes while an octahedral geometry has been proposed for the 1:1 adducts of VO(IV and for the 1:2 adducts of Ni(II and Cu(II complexes.

Contribution of tryptophan residues to the combining site of a monoclonal anti dinitrophenyl spin-label antibody

International Nuclear Information System (INIS)

Anglister, J.; Bond, M.W.; Frey, T.; Leahy, D.; Levitt, M.; McConnell, H.M.; Rule, G.S.; Tomasello, J.; Whittaker, M.

1987-01-01

Two Fab fragments of the monoclonal anti dinitrophenyl (DNP) spin-label antibody AN02 were prepared by recombination of specifically deuterated heavy and light chains. In the recombinant H(I)L(II) all the tyrosines and phenylalanines were perdeuterated as were the tryptophan residues of the heavy chain. In the recombinant H(II)L(I) all the tyrosines and phenylalanines were perdeuterated as were the tryptophan residues of the light chain. Saturation of three resonances of H(I)L(II), assigned to tryptophan protons of the light chain, resulted in magnetization transfer to the aromatic proton at position 6 of the DNP ring and to the CH2 protons of the glycines linked to the DNP in a diamagnetic hapten (DNP-DG). Saturation of three resonances of H(II)L(I) assigned to tryptophan protons of the heavy chain resulted in magnetization transfer to the CH2 protons of the glycines in DNP-DG. From the dependence of the magnetization transfer on the irradiation time, the cross relaxation rates between the involved protons were estimated. The inferred distances between these protons of the hapten and certain tryptophan protons are 3-4 A. It is concluded that in the combining site of AN02 there is one tryptophan from the light chain and one tryptophan from the heavy chain that are very near the hapten. When all tyrosines and phenylalanines were perdeuterated and all tryptophan aromatic protons were deuterated except for the protons at positions 2 and 5, titration of the Fab fragments with variable amounts of paramagnetic hapten showed that one proton from the light chain tryptophan is near (less than 7 A) the unpaired electron and that three other protons are significantly closer than 15 A

Contribution of tryptophan residues to the combining site of a monoclonal anti dinitrophenyl spin-label antibody

Energy Technology Data Exchange (ETDEWEB)

Anglister, J.; Bond, M.W.; Frey, T.; Leahy, D.; Levitt, M.; McConnell, H.M.; Rule, G.S.; Tomasello, J.; Whittaker, M.

1987-09-22

Two Fab fragments of the monoclonal anti dinitrophenyl (DNP) spin-label antibody AN02 were prepared by recombination of specifically deuterated heavy and light chains. In the recombinant H(I)L(II) all the tyrosines and phenylalanines were perdeuterated as were the tryptophan residues of the heavy chain. In the recombinant H(II)L(I) all the tyrosines and phenylalanines were perdeuterated as were the tryptophan residues of the light chain. Saturation of three resonances of H(I)L(II), assigned to tryptophan protons of the light chain, resulted in magnetization transfer to the aromatic proton at position 6 of the DNP ring and to the CH2 protons of the glycines linked to the DNP in a diamagnetic hapten (DNP-DG). Saturation of three resonances of H(II)L(I) assigned to tryptophan protons of the heavy chain resulted in magnetization transfer to the CH2 protons of the glycines in DNP-DG. From the dependence of the magnetization transfer on the irradiation time, the cross relaxation rates between the involved protons were estimated. The inferred distances between these protons of the hapten and certain tryptophan protons are 3-4 A. It is concluded that in the combining site of AN02 there is one tryptophan from the light chain and one tryptophan from the heavy chain that are very near the hapten. When all tyrosines and phenylalanines were perdeuterated and all tryptophan aromatic protons were deuterated except for the protons at positions 2 and 5, titration of the Fab fragments with variable amounts of paramagnetic hapten showed that one proton from the light chain tryptophan is near (less than 7 A) the unpaired electron and that three other protons are significantly closer than 15 A.

The application of white radiation to residual stress analysis in the intermediate zone between surface and volume

CERN Document Server

Genzel, C; Wallis, B; Reimers, W

2001-01-01

Mechanical surface processing is known to give rise to complex residual stress fields in the near surface region of polycrystalline materials. Consequently, their analysis by means of non-destructive X-ray and neutron diffraction methods has become an important topic in materials science. However, there remains a gap with respect to the accessible near surface zone, which concerns a range between about 10 mu m and 1 mm, where the conventional X-ray methods are no longer and the neutron methods are not yet sensitive. In order to achieve the necessary penetration depth tau to perform residual stress analysis (RSA) in this region, advantageous use can be made of energy dispersive X-ray diffraction of synchrotron radiation (15-60 keV) in the reflection mode. Besides an example concerning the adaptation of methods applied so far in the angle dispersive RSA to the energy dispersive case, the concept of a new materials science beamline at BESSY II for residual stress and texture analysis is presented.

The application of white radiation to residual stress analysis in the intermediate zone between surface and volume

International Nuclear Information System (INIS)

Genzel, Ch.; Stock, C.; Wallis, B.; Reimers, W.

2001-01-01

Mechanical surface processing is known to give rise to complex residual stress fields in the near surface region of polycrystalline materials. Consequently, their analysis by means of non-destructive X-ray and neutron diffraction methods has become an important topic in materials science. However, there remains a gap with respect to the accessible near surface zone, which concerns a range between about 10 μm and 1 mm, where the conventional X-ray methods are no longer and the neutron methods are not yet sensitive. In order to achieve the necessary penetration depth τ to perform residual stress analysis (RSA) in this region, advantageous use can be made of energy dispersive X-ray diffraction of synchrotron radiation (15-60 keV) in the reflection mode. Besides an example concerning the adaptation of methods applied so far in the angle dispersive RSA to the energy dispersive case, the concept of a new materials science beamline at BESSY II for residual stress and texture analysis is presented

Forecasts for the Canadian Lynx time series using method that bombine neural networks, wavelet shrinkage and decomposition

Directory of Open Access Journals (Sweden)

Levi Lopes Teixeira

2015-12-01

Full Text Available Time series forecasting is widely used in various areas of human knowledge, especially in the planning and strategic direction of companies. The success of this task depends on the forecasting techniques applied. In this paper, a hybrid approach to project time series is suggested. To validate the methodology, a time series already modeled by other authors was chosen, allowing the comparison of results. The proposed methodology includes the following techniques: wavelet shrinkage, wavelet decomposition at level r, and artificial neural networks (ANN. Firstly, a time series to be forecasted is submitted to the proposed wavelet filtering method, which decomposes it to components of trend and linear residue. Then, both are decomposed via level r wavelet decomposition, generating r + 1 Wavelet Components (WCs for each one; and then each WC is individually modeled by an ANN. Finally, the predictions for all WCs are linearly combined, producing forecasts to the underlying time series. For evaluating purposes, the time series of Canadian Lynx has been used, and all results achieved by the proposed method were better than others in existing literature.

Mapping allostery through computational glycine scanning and correlation analysis of residue-residue contacts.

Science.gov (United States)

Johnson, Quentin R; Lindsay, Richard J; Nellas, Ricky B; Fernandez, Elias J; Shen, Tongye

2015-02-24

Understanding allosteric mechanisms is essential for the physical control of molecular switches and downstream cellular responses. However, it is difficult to decode essential allosteric motions in a high-throughput scheme. A general two-pronged approach to performing automatic data reduction of simulation trajectories is presented here. The first step involves coarse-graining and identifying the most dynamic residue-residue contacts. The second step is performing principal component analysis of these contacts and extracting the large-scale collective motions expressed via these residue-residue contacts. We demonstrated the method using a protein complex of nuclear receptors. Using atomistic modeling and simulation, we examined the protein complex and a set of 18 glycine point mutations of residues that constitute the binding pocket of the ligand effector. The important motions that are responsible for the allostery are reported. In contrast to conventional induced-fit and lock-and-key binding mechanisms, a novel "frustrated-fit" binding mechanism of RXR for allosteric control was revealed.

VARIABLE STARS IN LARGE MAGELLANIC CLOUD GLOBULAR CLUSTERS. II. NGC 1786

International Nuclear Information System (INIS)

Kuehn, Charles A.; Smith, Horace A.; De Lee, Nathan; Catelan, Márcio; Pritzl, Barton J.; Borissova, Jura

2012-01-01

This is the second in a series of papers studying the variable stars in Large Magellanic Cloud globular clusters. The primary goal of this series is to study how RR Lyrae stars in Oosterhoff-intermediate systems compare to their counterparts in Oosterhoff I/II systems. In this paper, we present the results of our new time-series B–V photometric study of the globular cluster NGC 1786. A total of 65 variable stars were identified in our field of view. These variables include 53 RR Lyraes (27 RRab, 18 RRc, and 8 RRd), 3 classical Cepheids, 1 Type II Cepheid, 1 Anomalous Cepheid, 2 eclipsing binaries, 3 Delta Scuti/SX Phoenicis variables, and 2 variables of undetermined type. Photometric parameters for these variables are presented. We present physical properties for some of the RR Lyrae stars, derived from Fourier analysis of their light curves. We discuss several different indicators of Oosterhoff type which indicate that the Oosterhoff classification of NGC 1786 is not as clear cut as what is seen in most globular clusters.

Images of Germany: Past and Present. A Film Collection, Series II Instructional Activities.

Science.gov (United States)

Blankenship, Glen; Hutcheson, Gwen

This booklet offers classroom activities for use with 15 social studies-related films for teaching about Germany. The series of 25-minute films are made available by Deutsche Welle Television and Goethe House New York. Lessons in the booklet include: (1) "Germany Since 1945: A Focus on Berlin"; (2) "'I'll Get You All Out of Here!' A…

Characterization Report on Sand, Slag, and Crucible Residues and on Fluoride Residues

International Nuclear Information System (INIS)

Murray, A.M.

1999-01-01

This paper reports on the chemical characterization of the sand, slag, and crucible (SS and C) residues and the fluoride residues that may be shipped from the Rocky Flats Environmental Technology Site (RFETS) to Savannah River Site (SRS)

Clinical value of proton magnetic resonance spectroscopy for differentiating recurrent or residual brain tumor from delayed cerebral necrosis

International Nuclear Information System (INIS)

Taylor, June S.; Langston, James W.; Reddick, Wilburn E.; Kingsley, Peter B.; Ogg, Robert J.; Pui, Margaret H.; Kun, Larry E.; Jenkins, Jesse J.; Gang, Chen; Ochs, Judith J.; Sanford, Robert A.; Heideman, Richard L.

1996-01-01

Purpose: Delayed cerebral necrosis (DN) is a significant risk for brain tumor patients treated with high-dose irradiation. Although differentiating DN from tumor progression is an important clinical question, the distinction cannot be made reliably by conventional imaging techniques. We undertook a pilot study to assess the ability of proton magnetic resonance spectroscopy ( 1 H MRS) to differentiate prospectively between DN or recurrent/residual tumor in a series of children treated for primary brain tumors with high-dose irradiation. Methods and Materials: Twelve children (ages 3-16 years), who had clinical and MR imaging (MRI) changes that suggested a diagnosis of either DN or progressive/recurrent brain tumor, underwent localized 1 H MRS prior to planned biopsy, resection, or other confirmatory histological procedure. Prospective 1 H MRS interpretations were based on comparison of spectral peak patterns and quantitative peak area values from normalized spectra: a marked depression of the intracellular metabolite peaks from choline, creatine, and N-acetyl compounds was hypothesized to indicate DN, and median-to-high choline with easily visible creatine metabolite peaks was labeled progressive/recurrent tumor. Subsequent histological studies identified the brain lesion as DN or recurrent/residual tumor. Results: The patient series included five cases of DN and seven recurrent/residual tumor cases, based on histology. The MRS criteria prospectively identified five out of seven patients with active tumor, and four out of five patients with histologically proven DN correctly. Discriminant analysis suggested that the primary diagnostic information for differentiating DN from tumor lay in the normalized MRS peak areas for choline and creatine compounds. Conclusions: Magnetic resonance spectroscopy shows promising sensitivity and selectivity for differentiating DN from recurrent/progressive brain tumor. A novel diagnostic index based on peak areas for choline and

Effectiveness of Braun's enteroanastomosis in B II-resected stomach

International Nuclear Information System (INIS)

Lindecken, K.D.; Salm, B.

1993-01-01

With the aid of hepatobiliary sequence scintigraphy (HBSS) a functional analysis was obtained form 30 patients, subsequent to gastric surgery - after Billroth II with entero-anastomosis - which showed a suprisingly high rate of reflux into the residual stomach, in 16 out of these 30 patients. The high-grade HBSS data with regard to the biliary reflux proportions after gastric surgery and the low-grade effectiveness of Braun's entero-anastomosis are clearly evidenced. (orig./MG) [de

Comparison of the toxicity of the dyes Sudan II and Sudan IV to catalase.

Science.gov (United States)

Li, Tong; Hao, Minglu; Pan, Jie; Zong, Wansong; Liu, Rutao

2017-10-01

The mechanisms of the toxicity of Sudan dyes to the key antioxidant enzyme catalase (CAT) were investigated by spectroscopic methods, calorimetry techniques, enzyme activity assay, and molecular docking. Results showed that Sudan dyes bound to CAT through hydrophobic force, which changed the microenvironment of tryptophan and tyrosine residues, leading to a conformational alteration and shrinkage of the protein. Enzyme activity assay and molecular docking revealed that the activity of CAT was slightly inhibited in the presence of Sudan dyes. In comparison, the binding of Sudan II with CAT was slightly stronger than Sudan IV. Also, Sudan II and Sudan IV showed a different impact on the microenvironment of aromatic amino acid residues. But the dyes had very similar effects on conformation and activity of the protein. This work provides an essential reference for the evaluation of Sudan dyes' effects on body's antioxidant defense system and safe use of Sudan dyes. © 2017 Wiley Periodicals, Inc.

Appendix to the report from the low-residue soldering task force: Phase 2 results

Energy Technology Data Exchange (ETDEWEB)

Iman, R.L.; Anderson, D.J.; Huffman, D.D. [and others

1995-12-01

The LRSTF report for Phase I of its evaluation of low-residue soldering was issued in June 1995. This Appendix summarizes the results of follow-on testing performed in Phase II and compares electrical test results for both phases. Deliberate decisions were made by the LRSTF in Phase I to challenge the design guideline limits in MILSTD-275, Printed Wiring for Electronic Equipment The LRSTF considered this approach to produce a ``worst case`` design and provide useful information about the robustness of LR soldering processes. As such, good design practices were sometimes deliberately violated in designing the LRSTF board. This approach created some anomalies for both LR boards and RMA/cleaned controls. Phase II testing verified that problems that affected both RMA/cleaned and LR boards in Phase I were design related.

Dependence of the frequency spectrum of small amplitude vibrations superimposed on finite deformations of a nonlinear, cylindrical elastic body on residual stress

KAUST Repository

Gorb, Yuliya

2010-11-01

We model and analyze the response of nonlinear, residually stressed elastic bodies subjected to small amplitude vibrations superimposed upon large deformations. The problem derives from modeling the use of intravascular ultrasound (IVUS) imaging to interrogate atherosclerotic plaques in vivo in large arteries. The goal of this investigation is twofold: (i) introduce a modeling framework for residual stress that unlike traditional Fung type classical opening angle models may be used for a diseased artery, and (ii) investigate the sensitivity of the spectra of small amplitude high frequency time harmonic vibrations superimposed on a large deformation to the details of the residual stress stored in arteries through a numerical simulation using physiologic parameter values under both low and high blood pressure loadings. The modeling framework also points the way towards an inverse problem using IVUS techniques to estimate residual stress in healthy and diseased arteries. © 2010 Elsevier Ltd. All rights reserved.

Residual stress by repair welds

International Nuclear Information System (INIS)

Mochizuki, Masahito; Toyoda, Masao

2003-01-01

Residual stress by repair welds is computed using the thermal elastic-plastic analysis with phase-transformation effect. Coupling phenomena of temperature, microstructure, and stress-strain fields are simulated in the finite-element analysis. Weld bond of a plate butt-welded joint is gouged and then deposited by weld metal in repair process. Heat source is synchronously moved with the deposition of the finite-element as the weld deposition. Microstructure is considered by using CCT diagram and the transformation behavior in the repair weld is also simulated. The effects of initial stress, heat input, and weld length on residual stress distribution are studied from the organic results of numerical analysis. Initial residual stress before repair weld has no influence on the residual stress after repair treatment near weld metal, because the initial stress near weld metal releases due to high temperature of repair weld and then stress by repair weld regenerates. Heat input has an effect for residual stress distribution, for not its magnitude but distribution zone. Weld length should be considered reducing the magnitude of residual stress in the edge of weld bead; short bead induces high tensile residual stress. (author)

Pulse radiolysis study of zinc(II)-insulin

Energy Technology Data Exchange (ETDEWEB)

Elliot, A J; Wilkinson, F; Armstrong, D A [Calgary Univ., Alberta (Canada). Dept. of Chemistry

1980-07-01

Reactions of e/sup -/sub(aq) with zinc(II)-insulin at pH 6.6 and 9.0 yielded relatively low disulphide anion absorptions, suggesting e/sup -/sub(aq) reacts at other sites than S-S. A similar conclusion was reached for the reaction of COsub(./2) where an even lower yield of disulphide anion was found. However, here the disulphide anion yield increased with 'prepulsing'. Simultaneously the rate constant decreased, implying that a more reactive site was 'cleaned up'. While no reaction of Brsub(./2) with insulin was observed, both OH and Clsub(./2) reacted rapidly and predominantly at the tyrosine residues. The second order rate constants, calculated in terms of insulin monomer concentrations, are reported for e/sup -/sub(aq) COsub(./2) and Clsub(./2). The transient spectra qualitatively support evidence regarding the accessibility of S-S bonds and tyrosine residues in the various forms of insulin as predicted from earlier studies.

Battery Separator Membrane Having a Selectable Thermal Shut-Down Temperature, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — This Small Business Innovation Research Phase II proposal to NASA requests $596,750.96 support for Policell Technologies, Inc. to develop a series of separator...

Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

Studies on the utilization of agricultural residues in the manufacture of pulp and paper, and industrial chemicals

Energy Technology Data Exchange (ETDEWEB)

Joshi, V.S.; Kamath, G.P.; Basu, S.

1980-03-15

While demand for pulp and paper products in India is increasing at the annual rate of 7 to 8%, availability of cellulosic raw material to meet the ever increasing demand is becoming a serious problem. It has been estimated that bamboo, the traditional source of cellulosic raw material in India, even after ensuring the most scientific and best possible exploitation, could provide less than 50% of the requirement. In a big agricultural country like India, agri-residues like straws and bagasse, along with jute sticks, available in huge quantity, could provide substantial amount of cellulosic resources to the pulp and paper industry. Realizing the importance of agri-residue utilization in Indian economy, a series of research projects have been initiated and completed during the last 15 years to study the techno-economic feasibility of manufacturing pulp, paper, and industrial chemicals, based on rice and wheat straws, bagasse, and jute sticks. The economic advantages of the mechano-chemical pulping process, as compared to the conventional pressure, pulping process, for the conversion of agri-residues into pulp and paer is evaluated. For highlighting the importance of agri-residues in the field of useful chemical recovery possibilities, experimental data are given on the saccarification of agri-residues into reducing sugars by the simple acid hydrolysis method with the help of concentrated sulfuric acid.

Residual Inequity: Assessing the Unintended Consequences of New York City's Clean Heat Transition.

Science.gov (United States)

Carrión, Daniel; Lee, W Victoria; Hernández, Diana

2018-01-11

Energy policies and public health are intimately intertwined. In New York City, a series of policies, known as the Clean Heat Program (CHP), were designed to reduce air pollution by banning residual diesel fuel oils, #6 in 2015 and #4 by 2030. This measure is expected to yield environmental and public health benefits over time. While there is near-universal compliance with the #6 ban, a substantial number of buildings still use #4. In this paper, geographic analysis and qualitative interviews with stakeholders were used to interrogate the CHP's policy implementation in Northern Manhattan and the Bronx. A total of 1724 (53%) of all residential residual fuel burning buildings are located in this region. Stakeholders reflected mostly on the need for the program, and overall reactions to its execution. Major findings include that government partnerships with non-governmental organizations were effectively employed. However, weaknesses with the policy were also identified, including missed opportunities for more rapid transitions away from residual fuels, unsuccessful outreach efforts, cost-prohibitive conversion opportunities, and (the perception of) a volatile energy market for clean fuels. Ultimately, this analysis serves as a case study of a unique and innovative urban policy initiative to improve air quality and, consequently, public health.

SAGE Version 7.0 Algorithm: Application to SAGE II

Science.gov (United States)

Damadeo, R. P; Zawodny, J. M.; Thomason, L. W.; Iyer, N.

2013-01-01

This paper details the Stratospheric Aerosol and Gas Experiments (SAGE) version 7.0 algorithm and how it is applied to SAGE II. Changes made between the previous (v6.2) and current (v7.0) versions are described and their impacts on the data products explained for both coincident event comparisons and time-series analysis. Users of the data will notice a general improvement in all of the SAGE II data products, which are now in better agreement with more modern data sets (e.g. SAGE III) and more robust for use with trend studies.

Reactivity of Athabasca residue and of its SARA fractions during residue hydroconversion

Energy Technology Data Exchange (ETDEWEB)

Verstraete, J.; Danial-Fortain, P.; Gauthier, T.; Merdrignac, I. [IFP-Lyon, Vermaison (France); Budzinski, H. [Bordeaux Univ. (France). ISM-LPTC, UMR CNRS

2009-07-01

Residue conversion processes are becoming increasingly important because of the declining market for residual fuel oil and a greater demand for middle distillates. Ebullated-bed hydroconversion is a commercially proven technology for converting heavy feedstocks with high amounts of impurities. The process enables the conversion of atmospheric or vacuum residues at temperatures up to 440 degrees C, and at liquid hourly space velocity (LHSV) conditions in the range of 0.15 to 0.5 per hour. A 540 degrees C conversion of up to 80 weight per cent can be achieved under these conditions. This paper reported on a research study conducted at IFP Lyon in which the residue hydroconversion in a large-scale ebullated bed bench unit was investigated to determine the impact of operating conditions and feed properties on yield and product qualities. Hydrogen was added to the feed in the bench units to keep a high hydrogen partial pressure and favour the catalytic hydroconversion reactions. In a typical test, the reactor was fed with 50 g of feedstock and 0.45 g of crushed equilibrium industrial NiMo catalyst, pressurized hydrogen and quickly heated at the reaction temperature. This paper also discussed the conversion of Athabasca bitumen residue in the large-scale pilot plant and also in the small scale batch reactor. The effect of operating temperature and space velocity was examined. The reactivity of the saturates, aromatics, resins and asphaltenes (SARA) fractions of the bitumen was studied separately in order to better understand the conversion mechanisms and reactivities. The Athabasca bitumen feed and SARA fractions were also analyzed in terms of standard petroleum analysis, SARA fractionation, elemental analysis, size exclusion chromatography (SEC) and 13C NMR. Hydroconversion experiments were conducted in the batch unit at different reaction temperatures and reaction times. A comparison of small-scale batch results with those obtained with the continuous large-scale bench

High-Resolution Phenotypic Landscape of the RNA Polymerase II Trigger Loop.

Directory of Open Access Journals (Sweden)

Chenxi Qiu

2016-11-01

Full Text Available The active sites of multisubunit RNA polymerases have a "trigger loop" (TL that multitasks in substrate selection, catalysis, and translocation. To dissect the Saccharomyces cerevisiae RNA polymerase II TL at individual-residue resolution, we quantitatively phenotyped nearly all TL single variants en masse. Three mutant classes, revealed by phenotypes linked to transcription defects or various stresses, have distinct distributions among TL residues. We find that mutations disrupting an intra-TL hydrophobic pocket, proposed to provide a mechanism for substrate-triggered TL folding through destabilization of a catalytically inactive TL state, confer phenotypes consistent with pocket disruption and increased catalysis. Furthermore, allele-specific genetic interactions among TL and TL-proximal domain residues support the contribution of the funnel and bridge helices (BH to TL dynamics. Our structural genetics approach incorporates structural and phenotypic data for high-resolution dissection of transcription mechanisms and their evolution, and is readily applicable to other essential yeast proteins.

Automated time series forecasting for biosurveillance.

Science.gov (United States)

Burkom, Howard S; Murphy, Sean Patrick; Shmueli, Galit

2007-09-30

For robust detection performance, traditional control chart monitoring for biosurveillance is based on input data free of trends, day-of-week effects, and other systematic behaviour. Time series forecasting methods may be used to remove this behaviour by subtracting forecasts from observations to form residuals for algorithmic input. We describe three forecast methods and compare their predictive accuracy on each of 16 authentic syndromic data streams. The methods are (1) a non-adaptive regression model using a long historical baseline, (2) an adaptive regression model with a shorter, sliding baseline, and (3) the Holt-Winters method for generalized exponential smoothing. Criteria for comparing the forecasts were the root-mean-square error, the median absolute per cent error (MedAPE), and the median absolute deviation. The median-based criteria showed best overall performance for the Holt-Winters method. The MedAPE measures over the 16 test series averaged 16.5, 11.6, and 9.7 for the non-adaptive regression, adaptive regression, and Holt-Winters methods, respectively. The non-adaptive regression forecasts were degraded by changes in the data behaviour in the fixed baseline period used to compute model coefficients. The mean-based criterion was less conclusive because of the effects of poor forecasts on a small number of calendar holidays. The Holt-Winters method was also most effective at removing serial autocorrelation, with most 1-day-lag autocorrelation coefficients below 0.15. The forecast methods were compared without tuning them to the behaviour of individual series. We achieved improved predictions with such tuning of the Holt-Winters method, but practical use of such improvements for routine surveillance will require reliable data classification methods.

Properties of Soil Pore Space Regulate Pathways of Plant Residue Decomposition and Community Structure of Associated Bacteria

Science.gov (United States)

Negassa, Wakene C.; Guber, Andrey K.; Kravchenko, Alexandra N.; Marsh, Terence L.; Hildebrandt, Britton; Rivers, Mark L.

2015-01-01

Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S–18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75–80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g-1 soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g-1 soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C

Properties of soil pore space regulate pathways of plant residue decomposition and community structure of associated bacteria.

Science.gov (United States)

Negassa, Wakene C; Guber, Andrey K; Kravchenko, Alexandra N; Marsh, Terence L; Hildebrandt, Britton; Rivers, Mark L

2015-01-01

Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S-18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75-80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g(-1) soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g(-1) soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C

Fourier series

CERN Document Server

Tolstov, Georgi P

1962-01-01

Richard A. Silverman's series of translations of outstanding Russian textbooks and monographs is well-known to people in the fields of mathematics, physics, and engineering. The present book is another excellent text from this series, a valuable addition to the English-language literature on Fourier series.This edition is organized into nine well-defined chapters: Trigonometric Fourier Series, Orthogonal Systems, Convergence of Trigonometric Fourier Series, Trigonometric Series with Decreasing Coefficients, Operations on Fourier Series, Summation of Trigonometric Fourier Series, Double Fourie

Synthesis, α-glucosidase inhibitory activity and in silico study of tris-indole hybrid scaffold with oxadiazole ring: As potential leads for the management of type-II diabetes mellitus.

Science.gov (United States)

Taha, Muhammad; Rahim, Fazal; Imran, Syahrul; Ismail, Nor Hadiani; Ullah, Hayat; Selvaraj, Manikandan; Javid, Muhammad Tariq; Salar, Uzma; Ali, Muhammad; Khan, Khalid Mohammed

2017-10-01

Discovery of α-glucosidase inhibitors has been actively pursued with the aim to develop therapeutics for the treatment of type-II diabetes mellitus and the other carbohydrate mediated disease. In continuation of our drug discovery research on potential antidiabetic agents, we synthesized novel tris-indole-oxadiazole hybrid analogs (1-21), structurally characterized by various spectroscopic techniques such as 1 H NMR, EI-MS, and 13 C NMR. Elemental analysis was found in agreement with the calculated values. All compounds were evaluated for α-glucosidase inhibiting potential and showed potent inhibitory activity in the range of IC 50 =2.00±0.01-292.40±3.16μM as compared to standard acarbose (IC 50 =895.09±2.04µM). The pharmacokinetic predictions of tris-indole series using descriptor properties showed that almost all compounds in this series indicate the drug aptness. Detailed binding mode analyses with docking simulation was also carried out which showed that the inhibitors can be stabilized by the formation of hydrogen bonds with catalytic residues and the establishment of hydrophobic contacts at the opposite side of the active site. Copyright © 2017 Elsevier Inc. All rights reserved.

Study of the nature of the binding of phosphate residues in the phosphorylated form of succinyl-CoA synthetase from pigeon breast muscle

International Nuclear Information System (INIS)

Valiulina, D.S.; Skalbe, T.A.; Matveeva, L.N.

1987-01-01

The hydrolytic stability of the phosphorylated protein was investigated within a wide pH range. It was shown that the bond of the phosphate residue to protein in complex I is hydrolyzed at alkaline pH values (11.0 and 13.0). At acid pH values this bond is 50% hydrolyzed. The bond of the phosphate residue to protein in complex II is hydrolyzed at acid pH values and is stable at alkaline pH values of the medium. The phosphorylation reaction of the enzyme I, both with hydroxylamine and with diisopropyl fluorophosphate, led to 50% dephosphorylation of the protein. An analysis of an alkaline hydrolysate (3 N NaOH, 3 h, 100 0 C) of the radioactive phosphorylated enzyme II by ion exchange chromatography showed that the radioactive label of the protein is distributed in the fractions of 1-N- and 3-N-phosphohistidine, as well as 1,3-N-diphosphohistidine. The data obtained suggested that phosphate in the phosphorylated enzyme I is bound to protein, with the formation of acyl phosphate and phosphoester bonds. Phosphate in the phosphorylated enzyme II is bound to protein with the formation of a phosphoamide bond

Study of the nature of the binding of phosphate residues in the phosphorylated form of succinyl-CoA synthetase from pigeon breast muscle

Energy Technology Data Exchange (ETDEWEB)

Valiulina, D.S.; Skalbe, T.A.; Matveeva, L.N.

1987-01-10

The hydrolytic stability of the phosphorylated protein was investigated within a wide pH range. It was shown that the bond of the phosphate residue to protein in complex I is hydrolyzed at alkaline pH values (11.0 and 13.0). At acid pH values this bond is 50% hydrolyzed. The bond of the phosphate residue to protein in complex II is hydrolyzed at acid pH values and is stable at alkaline pH values of the medium. The phosphorylation reaction of the enzyme I, both with hydroxylamine and with diisopropyl fluorophosphate, led to 50% dephosphorylation of the protein. An analysis of an alkaline hydrolysate (3 N NaOH, 3 h, 100/sup 0/C) of the radioactive phosphorylated enzyme II by ion exchange chromatography showed that the radioactive label of the protein is distributed in the fractions of 1-N- and 3-N-phosphohistidine, as well as 1,3-N-diphosphohistidine. The data obtained suggested that phosphate in the phosphorylated enzyme I is bound to protein, with the formation of acyl phosphate and phosphoester bonds. Phosphate in the phosphorylated enzyme II is bound to protein with the formation of a phosphoamide bond.

Determining the Release of Radionuclides from Tank 18F Waste Residual Solids: FY2016 Report

Energy Technology Data Exchange (ETDEWEB)

King, William D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hobbs, David T. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2016-08-12

Pore water leaching studies were conducted on actual Savannah River Site (SRS) Tank 18F residual waste solids to support Liquid Waste tank closure efforts. A test methodology was developed during previous simulant testing to produce slurries of tank residual solids and grout-representative solids in grout pore water solutions (based on SRS groundwater compositions) with pH and E_h values expected during the aging of the closed waste tank. The target conditions are provided below where the initial pore water has a reducing potential and a relatively high pH (Reducing Region II). The pore water is expected to become increasingly oxidizing with time (Oxidizing Region II) and during the latter stages of aging (Oxidizing Region III) the pH is expected to decrease. For the reducing case, tests were conducted with both unwashed and washed Tank 18F residual solids. For the oxidizing cases (Oxidizing Regions II and III), all samples were washed with simulated grout pore water solutions prior to testing, since it is expected that these conditions will occur after considerable pore water solution has passed through the system. For the reducing case, separate tests were conducted with representative ground grout solids and with calcium carbonate reagent, which is the grout phase believed to be controlling the pH. Ferrous sulfide (FeS) solids were also added to the reducing samples to lower the slurry E_h value. Calcium carbonate solids were used as the grout-representative solid phase for each of the oxidizing cases. Air purge-gas with and without CO₂ removed was transferred through the oxidizing test samples and nitrogen purge-gas was transferred through the reducing test samples during leach testing. The target pH values were achieved to within 0.5 pH units for all samples. Leaching studies were conducted over an E_h range of approximately 0.7 V. However, the highest and lowest E_h values achieved of ~+0.5 V and ~-0.2 V were

DNA incision evaluation, binding investigation and biocidal screening of Cu(II), Ni(II) and Co(II) complexes with isoxazole Schiff bases.

Science.gov (United States)

Ganji, Nirmala; Chityala, Vijay Kumar; Marri, Pradeep Kumar; Aveli, Rambabu; Narendrula, Vamsikrishna; Daravath, Sreenu; Shivaraj

2017-10-01

Two new series of binary metal complexes [M(L 1 ) 2 ] and [M(L 2 ) 2 ] where, M=Cu(II), Ni(II) & Co(II) and L 1 =4-((3,4-dimethylisoxazol-5-ylimino)methyl)benzene-1,3-diol; L 2 =2-((3,4-dimethylisoxazol-5-ylimino)methyl)-5-methoxyphenol were synthesized and characterized by elemental analysis, 1 H NMR, 13 C NMR, FT-IR, ESI mass, UV-Visible, magnetic moment, ESR, SEM and powder XRD studies. Based on these results, a square planar geometry is assigned for all the metal complexes where the Schiff base acts as uninegatively charged bidentate chelating agent via the hydroxyl oxygen and azomethine nitrogen atoms. DNA binding studies of all the complexes with calf thymus DNA have been comprehensively investigated using electronic absorption spectroscopy, fluorescence quenching and viscosity studies. The oxidative and photo cleavage affinity of metal complexes towards supercoiled pBR322 DNA has been ascertained by agarose gel electrophoresis assay. From the results, it is observed that all the metal complexes bind effectively to CT-DNA via an intercalative mode of binding and also cleave pBR322 DNA in a promising manner. Further the Cu(II) complexes have shown better binding and cleavage properties towards DNA. The antimicrobial activities of the Schiff bases and their metal complexes were studied on bacterial and fungal strains and the results denoted that the complexes are more potent than their Schiff base ligands. Copyright © 2017 Elsevier B.V. All rights reserved.

Removal of uranyl ions from residual waters using some algae types

International Nuclear Information System (INIS)

Cecal, A.; Palamaru, I.; Humelnicu, D.; Popa, K.; Salaru, V.V.; Rudic, V.; Gulea, A.

1999-01-01

This paper deals with a study on the bioaccumulation of uranyl ions resulted from residual effluents by means of some microbiological collectors: Scenedesmus quadricauda, Anabaena karakumica, Calothrix brevissima, Penicillinium sp, as well as the Glucid extract of Porphyridium cruentum, under various experimental conditions. The retaining degree of the bioaccumulated uranyl ions, as well as the leaching degree, in HCl and H 2 O media, of the same ions previously retained on algae were established. The retaining degree decreases in the series: Scenedesmus quadricauda > Anabaena karakumica > Penicillinium sp > Calothrix brevissima. The leaching effect of bioaccumulated uranyl ions is higher in hydrochloric acid than in water. (author)

Cross Sections for the Production of Residual Nuclides by Proton-Induced Reactions with Uranium at Medium Energies

International Nuclear Information System (INIS)

Issa, S.A.M.; Michel, R.; Uosif, M.A.M.; Issa, S.A.M.; Flamentc, J.L.; David, J.C.; Leray, S.

2009-01-01

The production of residual nuclides by proton-induced reactions on uranium is investigated using activated targets from irradiation experiments at Saturne II synchrocyclotron at the Laboratory National Saturne/Saclay. These investigations contribute to the European research project NUDATRA within the IP EUROTRANS in which the feasibility of accelerator-driven transmutation of nuclear waste is evaluated. Experimental cross sections are derived from gamma-spectrometric measurements. A total of 1894 cross-section was deter-mined covering 44 residual nuclides in the energy range from 211 MeV to 2530 MeV. The experimental data together with those of earlier work of our group are discussed in the context of theoretical excitation functions calculated by the newly developed INCL4 + ABLA and the TALYS codes

Hypergeometric continuation of divergent perturbation series: II. Comparison with Shanks transformation and Padé approximation

International Nuclear Information System (INIS)

Sanders, Sören; Holthaus, Martin

2017-01-01

We explore in detail how analytic continuation of divergent perturbation series by generalized hypergeometric functions is achieved in practice. Using the example of strong-coupling perturbation series provided by the two-dimensional Bose–Hubbard model, we compare hypergeometric continuation to Shanks and Padé techniques, and demonstrate that the former yields a powerful, efficient and reliable alternative for computing the phase diagram of the Mott insulator-to-superfluid transition. In contrast to Shanks transformations and Padé approximations, hypergeometric continuation also allows us to determine the exponents which characterize the divergence of correlation functions at the transition points. Therefore, hypergeometric continuation constitutes a promising tool for the study of quantum phase transitions. (paper)

Hypergeometric continuation of divergent perturbation series: II. Comparison with Shanks transformation and Padé approximation

Science.gov (United States)

Sanders, Sören; Holthaus, Martin

2017-11-01

We explore in detail how analytic continuation of divergent perturbation series by generalized hypergeometric functions is achieved in practice. Using the example of strong-coupling perturbation series provided by the two-dimensional Bose-Hubbard model, we compare hypergeometric continuation to Shanks and Padé techniques, and demonstrate that the former yields a powerful, efficient and reliable alternative for computing the phase diagram of the Mott insulator-to-superfluid transition. In contrast to Shanks transformations and Padé approximations, hypergeometric continuation also allows us to determine the exponents which characterize the divergence of correlation functions at the transition points. Therefore, hypergeometric continuation constitutes a promising tool for the study of quantum phase transitions.

Persistence of malathion residues in stored milled rice: Direct and indirect applications

International Nuclear Information System (INIS)

Arshad, J.H.

1990-01-01

Two experiments were carried out: (i) to study the persistence of malathion residues in stored milled rice following multiple applications of 14 C-malathion to the bagged rice and (ii) to determine the degradation of malathion in stored milled rice and stored paddy following direct and single application of 14 C-malathion. The storage conditions were similar to those found in the local rice godowns. Three applications of malathion to the bagged milled rice resulted in the accumulation of malathion and its metabolites in and/or on the rice grains over the storage period. After 9 months' storage, ca. 4% of the total applied radioactivity, which amounted to 10 μg/g equivalent of 14 C residues, were found in and/or on the grains. About one fourth of the residue remained as the unchanged parent compound. On the other hand, when 14 C-malathion at the 10 ppm level was mixed directly with the milled rice or paddy prior to storage, the amount of malathion (recovered in the chloroform extracts) decreased from 6.2 μg/g at zero time to 2.9 μg/g after 3 months' storage for the milled rice samples. The major metabolite in the milled rice and paddy samples was malathion monocarboxylic acid with trace amounts of malathion dicarboxylic acid and malaoxon. (author). 5 refs, 3 tabs

Identification of residue pairing in interacting β-strands from a predicted residue contact map.

Science.gov (United States)

Mao, Wenzhi; Wang, Tong; Zhang, Wenxuan; Gong, Haipeng

2018-04-19

Despite the rapid progress of protein residue contact prediction, predicted residue contact maps frequently contain many errors. However, information of residue pairing in β strands could be extracted from a noisy contact map, due to the presence of characteristic contact patterns in β-β interactions. This information may benefit the tertiary structure prediction of mainly β proteins. In this work, we propose a novel ridge-detection-based β-β contact predictor to identify residue pairing in β strands from any predicted residue contact map. Our algorithm RDb 2 C adopts ridge detection, a well-developed technique in computer image processing, to capture consecutive residue contacts, and then utilizes a novel multi-stage random forest framework to integrate the ridge information and additional features for prediction. Starting from the predicted contact map of CCMpred, RDb 2 C remarkably outperforms all state-of-the-art methods on two conventional test sets of β proteins (BetaSheet916 and BetaSheet1452), and achieves F1-scores of ~ 62% and ~ 76% at the residue level and strand level, respectively. Taking the prediction of the more advanced RaptorX-Contact as input, RDb 2 C achieves impressively higher performance, with F1-scores reaching ~ 76% and ~ 86% at the residue level and strand level, respectively. In a test of structural modeling using the top 1 L predicted contacts as constraints, for 61 mainly β proteins, the average TM-score achieves 0.442 when using the raw RaptorX-Contact prediction, but increases to 0.506 when using the improved prediction by RDb 2 C. Our method can significantly improve the prediction of β-β contacts from any predicted residue contact maps. Prediction results of our algorithm could be directly applied to effectively facilitate the practical structure prediction of mainly β proteins. All source data and codes are available at http://166.111.152.91/Downloads.html or the GitHub address of https://github.com/wzmao/RDb2C .

Prediction of MHC class II binding affinity using SMM-align, a novel stabilization matrix alignment method.

Science.gov (United States)

Nielsen, Morten; Lundegaard, Claus; Lund, Ole

2007-07-04

Antigen presenting cells (APCs) sample the extra cellular space and present peptides from here to T helper cells, which can be activated if the peptides are of foreign origin. The peptides are presented on the surface of the cells in complex with major histocompatibility class II (MHC II) molecules. Identification of peptides that bind MHC II molecules is thus a key step in rational vaccine design and developing methods for accurate prediction of the peptide:MHC interactions play a central role in epitope discovery. The MHC class II binding groove is open at both ends making the correct alignment of a peptide in the binding groove a crucial part of identifying the core of an MHC class II binding motif. Here, we present a novel stabilization matrix alignment method, SMM-align, that allows for direct prediction of peptide:MHC binding affinities. The predictive performance of the method is validated on a large MHC class II benchmark data set covering 14 HLA-DR (human MHC) and three mouse H2-IA alleles. The predictive performance of the SMM-align method was demonstrated to be superior to that of the Gibbs sampler, TEPITOPE, SVRMHC, and MHCpred methods. Cross validation between peptide data set obtained from different sources demonstrated that direct incorporation of peptide length potentially results in over-fitting of the binding prediction method. Focusing on amino terminal peptide flanking residues (PFR), we demonstrate a consistent gain in predictive performance by favoring binding registers with a minimum PFR length of two amino acids. Visualizing the binding motif as obtained by the SMM-align and TEPITOPE methods highlights a series of fundamental discrepancies between the two predicted motifs. For the DRB1*1302 allele for instance, the TEPITOPE method favors basic amino acids at most anchor positions, whereas the SMM-align method identifies a preference for hydrophobic or neutral amino acids at the anchors. The SMM-align method was shown to outperform other

Prediction of MHC class II binding affinity using SMM-align, a novel stabilization matrix alignment method

Directory of Open Access Journals (Sweden)

Lund Ole

2007-07-01

Full Text Available Abstract Background Antigen presenting cells (APCs sample the extra cellular space and present peptides from here to T helper cells, which can be activated if the peptides are of foreign origin. The peptides are presented on the surface of the cells in complex with major histocompatibility class II (MHC II molecules. Identification of peptides that bind MHC II molecules is thus a key step in rational vaccine design and developing methods for accurate prediction of the peptide:MHC interactions play a central role in epitope discovery. The MHC class II binding groove is open at both ends making the correct alignment of a peptide in the binding groove a crucial part of identifying the core of an MHC class II binding motif. Here, we present a novel stabilization matrix alignment method, SMM-align, that allows for direct prediction of peptide:MHC binding affinities. The predictive performance of the method is validated on a large MHC class II benchmark data set covering 14 HLA-DR (human MHC and three mouse H2-IA alleles. Results The predictive performance of the SMM-align method was demonstrated to be superior to that of the Gibbs sampler, TEPITOPE, SVRMHC, and MHCpred methods. Cross validation between peptide data set obtained from different sources demonstrated that direct incorporation of peptide length potentially results in over-fitting of the binding prediction method. Focusing on amino terminal peptide flanking residues (PFR, we demonstrate a consistent gain in predictive performance by favoring binding registers with a minimum PFR length of two amino acids. Visualizing the binding motif as obtained by the SMM-align and TEPITOPE methods highlights a series of fundamental discrepancies between the two predicted motifs. For the DRB1*1302 allele for instance, the TEPITOPE method favors basic amino acids at most anchor positions, whereas the SMM-align method identifies a preference for hydrophobic or neutral amino acids at the anchors. Conclusion

Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue–walnut shell

Energy Technology Data Exchange (ETDEWEB)

Ding, Dahu, E-mail: dingdahu@gmail.com [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Lei, Zhongfang; Yang, Yingnan [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Feng, Chuanping [School of Water Resources and Environment, China University of Geosciences (Beijing), Key Laboratory of Groundwater Circulation and Evolution, Ministry of Education, Beijing 100083 (China); Zhang, Zhenya, E-mail: zhang.zhenya.fu@u.tsukuba.ac.jp [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan)

2014-04-01

Highlights: • Novel biosorbent for cesium removal was derived from agricultural residue. • It could remove cesium effectively from aqueous solution. • Large size of granules makes it easy to be separated from solutions. • The volume of used biosorbent could be significantly reduced after incineration. • Incinerated biosorbent has a low volume and a low cost final disposal. - Abstract: A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni{sup II}HCF{sup III}-WS) was developed to selectively remove cesium ion (Cs{sup +}) from aqueous solutions. This paper showed the first integral study on Cs{sup +} removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2 h. As a special characteristic of Ni{sup II}HCF{sup III}-WS, acidic condition was preferred for Cs{sup +} removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni{sup II}HCF{sup III}-WS could selectively remove Cs{sup +} though the coexisting ions (Na{sup +} and K{sup +} in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni{sup II}HCF{sup III}-WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni{sup II}HCF{sup III}-WS) was reduced after incineration (at 500 °C for 2 h). Due to its relatively high distribution coefficient and significant volume reduction, Ni{sup II}HCF{sup III}-WS is expected to be a promising material for Cs{sup +} removal in practice.

Residuals and the Residual-Based Statistic for Testing Goodness of Fit of Structural Equation Models

Science.gov (United States)

Foldnes, Njal; Foss, Tron; Olsson, Ulf Henning

2012-01-01

The residuals obtained from fitting a structural equation model are crucial ingredients in obtaining chi-square goodness-of-fit statistics for the model. The authors present a didactic discussion of the residuals, obtaining a geometrical interpretation by recognizing the residuals as the result of oblique projections. This sheds light on the…

Molecular anatomy of CCR5 engagement by physiologic and viral chemokines and HIV-1 envelope glycoproteins: differences in primary structural requirements for RANTES, MIP-1 alpha, and vMIP-II Binding.

Science.gov (United States)

Navenot, J M; Wang, Z X; Trent, J O; Murray, J L; Hu, Q X; DeLeeuw, L; Moore, P S; Chang, Y; Peiper, S C

2001-11-09

Molecular analysis of CCR5, the cardinal coreceptor for HIV-1 infection, has implicated the N-terminal extracellular domain (N-ter) and regions vicinal to the second extracellular loop (ECL2) in this activity. It was shown that residues in the N-ter are necessary for binding of the physiologic ligands, RANTES (CCL5) and MIP-1 alpha (CCL3). vMIP-II, encoded by the Kaposi's sarcoma-associated herpesvirus, is a high affinity CCR5 antagonist, but lacks efficacy as a coreceptor inhibitor. Therefore, we compared the mechanism for engagement by vMIP-II of CCR5 to its interaction with physiologic ligands. RANTES, MIP-1 alpha, and vMIP-II bound CCR5 at high affinity, but demonstrated partial cross-competition. Characterization of 15 CCR5 alanine scanning mutants of charged extracellular amino acids revealed that alteration of acidic residues in the distal N-ter abrogated binding of RANTES, MIP-1 alpha, and vMIP-II. Whereas mutation of residues in ECL2 of CCR5 dramatically reduced the binding of RANTES and MIP-1 alpha and their ability to induce signaling, interaction with vMIP-II was not altered by any mutation in the exoloops of the receptor. Paradoxically, monoclonal antibodies to N-ter epitopes did not block chemokine binding, but those mapped to ECL2 were effective inhibitors. A CCR5 chimera with the distal N-ter residues of CXCR2 bound MIP-1 alpha and vMIP-II with an affinity similar to that of the wild-type receptor. Engagement of CCR5 by vMIP-II, but not RANTES or MIP-1 alpha blocked the binding of monoclonal antibodies to the receptor, providing additional evidence for a distinct mechanism for viral chemokine binding. Analysis of the coreceptor activity of randomly generated mouse-human CCR5 chimeras implicated residues in ECL2 between H173 and V197 in this function. RANTES, but not vMIP-II blocked CCR5 M-tropic coreceptor activity in the fusion assay. The insensitivity of vMIP-II binding to mutations in ECL2 provides a potential rationale to its inefficiency as an

Residual mercury content and leaching of mercury and silver from used amalgam capsules.

Science.gov (United States)

Stone, M E; Pederson, E D; Cohen, M E; Ragain, J C; Karaway, R S; Auxer, R A; Saluta, A R

2002-06-01

The objective of this investigation was to carry out residual mercury (Hg) determinations and toxicity characteristic leaching procedure (TCLP) analysis of used amalgam capsules. For residual Hg analysis, 25 capsules (20 capsules for one brand) from each of 10 different brands of amalgam were analyzed. Total residual Hg levels per capsule were determined using United States Environmental Protection Agency (USEPA) Method 7471. For TCLP analysis, 25 amalgam capsules for each of 10 brands were extracted using a modification of USEPA Method 1311. Hg analysis of the TCLP extracts was done with USEPA Method 7470A. Analysis of silver (Ag) concentrations in the TCLP extract was done with USEPA Method 6010B. Analysis of the residual Hg data resulted in the segregation of brands into three groups: Dispersalloy capsules, Group A, retained the most Hg (1.225 mg/capsule). These capsules were the only ones to include a pestle. Group B capsules, Valliant PhD, Optaloy II, Megalloy and Valliant Snap Set, retained the next highest amount of Hg (0.534-0.770 mg/capsule), and were characterized by a groove in the inside of the capsule. Group C, Tytin regular set double-spill, Tytin FC, Contour, Sybraloy regular set, and Tytin regular set single-spill retained the least amount of Hg (0.125-0.266 mg/capsule). TCLP analysis of the triturated capsules showed Sybraloy and Contour leached Hg at greater than the 0.2 mg/l Resource Conservation and Recovery Act (RCRA) limit. This study demonstrated that residual mercury may be related to capsule design features and that TCLP extracts from these capsules could, in some brands, exceed RCRA Hg limits, making their disposal problematic. At current RCRA limits, the leaching of Ag is not a problem.

Residual Stress Developed During the Cure of Thermosetting Polymers: Optimizing Cure Schedule to Minimize Stress.

Energy Technology Data Exchange (ETDEWEB)

Kropka, Jamie Michael; Stavig, Mark E.; Jaramillo, Rex

2016-06-01

When thermosetting polymers are used to bond or encapsulate electrical, mechanical or optical assemblies, residual stress, which often affects the performance and/or reliability of these devices, develops within the structure. The Thin-Disk-on-Cylinder structural response test is demonstrated as a powerful tool to design epoxy encapsulant cure schedules to reduce residual stress, even when all the details of the material evolution during cure are not explicitly known. The test's ability to (1) distinguish between cohesive and adhesive failure modes and (2) demonstrate methodologies to eliminate failure and reduce residual stress, make choices of cure schedules that optimize stress in the encapsulant unambiguous. For the 828/DEA/GMB material in the Thin-Disk-on-Cylinder geometry, the stress associated with cure is significant and outweighs that associated with cool down from the final cure temperature to room temperature (for measured lid strain, Scure I > I I e+h erma * II) * The difference between the final cure temperature and 1 1 -- the temperature at which the material gels, Tf-T ge i, was demonstrated to be a primary factor in determining the residual stress associated with cure. Increasing T f -T ge i leads to a reduction in cure stress that is described as being associated with balancing some of the 828/DEA/GMB cure shrinkage with thermal expansion. The ability to tune residual stress associated with cure by controlling T f -T ge i would be anticipated to translate to other thermosetting encapsulation materials, but the times and temperatures appropriate for a given material may vary widely.

Tailoring diffraction technique Rietveld method on residual stress measurements of cold-can oiled 304 stainless steel plates

International Nuclear Information System (INIS)

Parikin; Killen, P.; Anis, M.

2003-01-01

Tailoring of diffraction technique-Rietveld method on residual stress measurements of cold-canailed stainless steel 304 plates assuming the material is isotopic, the residual stress measurements using X-ray powder diffraction is just performed for a plane lying in a large angle. For anisotropic materials, the real measurements will not be represented by the methods. By Utilizing of all diffraction peaks in the observation region, tailoring diffraction technique-Rietveld analysis is able to cover the limitations. The residual stress measurement using X-ray powder diffraction tailored by Rietveld method, in a series of cold-canailed stainless steel 304 plates deforming; 0, 34, 84, 152, 158, 175, and 196 % reduction in thickness, have been reported. The diffraction data were analyzed by using Rietveld structure refinement method. Also, for all cold-canailed stainless steel 304 plates cuplikans, the diffraction peaks are broader than the uncanailed one, indicating that the strains in these cuplikans are inhomogeneous. From an analysis of the refined peak shape parameters, the average root-mean square strain, which describes the distribution of the inhomogeneous strain field, was calculated. Finally, the average residual stresses in cold-canailed stainless steel 304 plates were shown to be a combination effect of hydrostatic stresses of martensite particles and austenite matrix. The average residual stresses were evaluated from the experimentally determined average lattice strains in each phase. It was found the tensile residual stress in a cuplikan was maximum, reaching 442 MPa, for a cuplikan reducing 34% in thickness and minimum for a 196% cuplikan

Group theoretical approach to quantum fields in de Sitter space II. The complementary and discrete series

International Nuclear Information System (INIS)

Joung, Euihun; Mourad, Jihad; Parentani, Renaud

2007-01-01

We use an algebraic approach based on representations of de Sitter group to construct covariant quantum fields in arbitrary dimensions. We study the complementary and the discrete series which correspond to light and massless fields and which lead new feature with respect to the massive principal series we previously studied (hep-th/0606119). When considering the complementary series, we make use of a non-trivial scalar product in order to get local expressions in the position representation. Based on these, we construct a family of covariant canonical fields parametrized by SU(1, 1)/U(1). Each of these correspond to the dS invariant alpha-vacua. The behavior of the modes at asymptotic times brings another difficulty as it is incompatible with the usual definition of the in and out vacua. We propose a generalized notion of these vacua which reduces to the usual conformal vacuum in the conformally massless limit. When considering the massless discrete series we find that no covariant field obeys the canonical commutation relations. To further analyze this singular case, we consider the massless limit of the complementary scalar fields we previously found. We obtain canonical fields with a deformed representation by zero modes. The zero modes have a dS invariant vacuum with singular norm. We propose a regularization by a compactification of the scalar field and a dS invariant definition of the vertex operators. The resulting two-point functions are dS invariant and have a universal logarithmic infrared divergence

Monopole operators and Hilbert series of Coulomb branches of 3 d = 4 gauge theories

Science.gov (United States)

Cremonesi, Stefano; Hanany, Amihay; Zaffaroni, Alberto

2014-01-01

This paper addresses a long standing problem - to identify the chiral ring and moduli space (i.e. as an algebraic variety) on the Coulomb branch of an = 4 superconformal field theory in 2+1 dimensions. Previous techniques involved a computation of the metric on the moduli space and/or mirror symmetry. These methods are limited to sufficiently small moduli spaces, with enough symmetry, or to Higgs branches of sufficiently small gauge theories. We introduce a simple formula for the Hilbert series of the Coulomb branch, which applies to any good or ugly three-dimensional = 4 gauge theory. The formula counts monopole operators which are dressed by classical operators, the Casimir invariants of the residual gauge group that is left unbroken by the magnetic flux. We apply our formula to several classes of gauge theories. Along the way we make various tests of mirror symmetry, successfully comparing the Hilbert series of the Coulomb branch with the Hilbert series of the Higgs branch of the mirror theory.

Machine for compacting solid residues

International Nuclear Information System (INIS)

Herzog, J.

1981-11-01

Machine for compacting solid residues, particularly bulky radioactive residues, constituted of a horizontally actuated punch and a fixed compression anvil, in which the residues are first compacted horizontally and then vertically. Its salient characteristic is that the punch and the compression anvil have embossments on the compression side and interpenetrating plates in the compression position [fr

New series of ORACLE tutorials, March-June 2006

CERN Multimedia

Catherine Delamare

2006-01-01

The IT DES Oracle Support team is pleased to announce the new series of Oracle tutorials with the proposed schedule: Thursday 20 April - SQL I - Eva Dafonte Perez Thursday 27 April - SQL II - Lucia Moreno Lopez Thursday 4 May - Architecture - Montse Collados Thursday 11 May - Tuning - Michal Kwiatek Thursday 1 June - PL/SQL I - Eva Dafonte Perez Thursday 8 June - PL/SQL II - Nilo Segura Thursday 15 June - Oracle Tools and Bindings with languages - Eric Grancher, Nilo Segura These tutorials will take place in the IT Auditorium (bldg. 31/3-004) starting at 10:00. The average duration will be 1 hour plus time for questions. There is no need to register in advance. You can access the previous 2002-2003 sessions at http://it-des.web.cern.ch/IT-DES/DIS/oracle/tutorials.html If you need more information, please contact Catherine.Delamare@cern.ch

Cysteine 295 indirectly affects Ni coordination of carbon monoxide dehydrogenase-II C-cluster

Energy Technology Data Exchange (ETDEWEB)

Inoue, Takahiro; Takao, Kyosuke; Yoshida, Takashi [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan); Wada, Kei [Organization for Promotion of Tenure Track, University of Miyazaki, Miyazaki 889-1692 (Japan); Daifuku, Takashi; Yoneda, Yasuko [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan); Fukuyama, Keiichi [Department of Biological Sciences, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Sako, Yoshihiko, E-mail: sako@kais.kyoto-u.ac.jp [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan)

2013-11-08

Highlights: •CODH-II harbors a unique [Ni-Fe-S] cluster. •We substituted the ligand residues of Cys{sup 295} and His{sup 261}. •Dramatic decreases in Ni content upon substitutions were observed. •All substitutions did not affect Fe-S clusters assembly. •CO oxidation activity was decreased by the substitutions. -- Abstract: A unique [Ni–Fe–S] cluster (C-cluster) constitutes the active center of Ni-containing carbon monoxide dehydrogenases (CODHs). His{sup 261}, which coordinates one of the Fe atoms with Cys{sup 295}, is suggested to be the only residue required for Ni coordination in the C-cluster. To evaluate the role of Cys{sup 295}, we constructed CODH-II variants. Ala substitution for the Cys{sup 295} substitution resulted in the decrease of Ni content and didn’t result in major change of Fe content. In addition, the substitution had no effect on the ability to assemble a full complement of [Fe–S] clusters. This strongly suggests Cys{sup 295} indirectly and His{sup 261} together affect Ni-coordination in the C-cluster.

Cysteine 295 indirectly affects Ni coordination of carbon monoxide dehydrogenase-II C-cluster

International Nuclear Information System (INIS)

Inoue, Takahiro; Takao, Kyosuke; Yoshida, Takashi; Wada, Kei; Daifuku, Takashi; Yoneda, Yasuko; Fukuyama, Keiichi; Sako, Yoshihiko

2013-01-01

Highlights: •CODH-II harbors a unique [Ni-Fe-S] cluster. •We substituted the ligand residues of Cys 295 and His 261 . •Dramatic decreases in Ni content upon substitutions were observed. •All substitutions did not affect Fe-S clusters assembly. •CO oxidation activity was decreased by the substitutions. -- Abstract: A unique [Ni–Fe–S] cluster (C-cluster) constitutes the active center of Ni-containing carbon monoxide dehydrogenases (CODHs). His 261 , which coordinates one of the Fe atoms with Cys 295 , is suggested to be the only residue required for Ni coordination in the C-cluster. To evaluate the role of Cys 295 , we constructed CODH-II variants. Ala substitution for the Cys 295 substitution resulted in the decrease of Ni content and didn’t result in major change of Fe content. In addition, the substitution had no effect on the ability to assemble a full complement of [Fe–S] clusters. This strongly suggests Cys 295 indirectly and His 261 together affect Ni-coordination in the C-cluster

Anterior ankle impingement after tendo-Achilles lengthening for long-standing equinus deformity in residual poliomyelitis.

Science.gov (United States)

Sung, Ki Hyuk; Chung, Chin Youb; Lee, Kyoung Min; Lee, Seung Yeol; Park, Moon Seok

2013-09-01

This study was performed to investigate anterior ankle impingement after tendo-Achilles lengthening for long-standing equinus deformity in patients with residual poliomyelitis and to investigate whether the severity of preoperative equinus deformity affected the occurrence of symptomatic anterior impingement. Twenty-seven consecutive patients (mean age, 43.8 ± 9.4 years) with residual poliomyelitis who underwent tendo-Achilles lengthening for equinus foot deformity were included. On lateral foot-ankle weight-bearing radiographs, the tibiocalcaneal angle, plantigrade angle, and McDermott grade were measured and the presence of anterior blocking spur was evaluated. Eleven patients (40.7%) had anterior ankle impingement on radiographic findings preoperatively and 24 patients (88.9%) at latest follow-up. There was a significant difference in McDermott grade between preoperative and latest follow-up (P poliomyelitis had anterior ankle impingement after tendo-Achilles lengthening for long-standing equinus deformity, and the presence of symptomatic anterior ankle impingement was significantly associated with the severity of the equinus deformity. Therefore, for residual poliomyelitis patients with severe long-standing equinus deformity, surgeons should consider the possibility of a subsequent anterior procedure for anterior impingement after tendo-Achilles lengthening. Level IV, retrospective case series.

Smoothing data series by means of cubic splines: quality of approximation and introduction of a repeating spline approach

Science.gov (United States)

Wüst, Sabine; Wendt, Verena; Linz, Ricarda; Bittner, Michael

2017-09-01

Cubic splines with equidistant spline sampling points are a common method in atmospheric science, used for the approximation of background conditions by means of filtering superimposed fluctuations from a data series. What is defined as background or superimposed fluctuation depends on the specific research question. The latter also determines whether the spline or the residuals - the subtraction of the spline from the original time series - are further analysed.Based on test data sets, we show that the quality of approximation of the background state does not increase continuously with an increasing number of spline sampling points and/or decreasing distance between two spline sampling points. Splines can generate considerable artificial oscillations in the background and the residuals.We introduce a repeating spline approach which is able to significantly reduce this phenomenon. We apply it not only to the test data but also to TIMED-SABER temperature data and choose the distance between two spline sampling points in a way that is sensitive for a large spectrum of gravity waves.

VCD Robustness of the Amide-I and Amide-II Vibrational Modes of Small Peptide Models.

Science.gov (United States)

Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

2015-09-01

The rotational strengths and the robustness values of amide-I and amide-II vibrational modes of For(AA)n NHMe (where AA is Val, Asn, Asp, or Cys, n = 1-5 for Val and Asn; n = 1 for Asp and Cys) model peptides with α-helix and β-sheet backbone conformations were computed by density functional methods. The robustness results verify empirical rules drawn from experiments and from computed rotational strengths linking amide-I and amide-II patterns in the vibrational circular dichroism (VCD) spectra of peptides with their backbone structures. For peptides with at least three residues (n ≥ 3) these characteristic patterns from coupled amide vibrational modes have robust signatures. For shorter peptide models many vibrational modes are nonrobust, and the robust modes can be dependent on the residues or on their side chain conformations in addition to backbone conformations. These robust VCD bands, however, provide information for the detailed structural analysis of these smaller systems. © 2015 Wiley Periodicals, Inc.

Experimental Breeder Reactor II (EBR-II) Fuel-Performance Test Facility (FPTF)

International Nuclear Information System (INIS)

Pardini, J.A.; Brubaker, R.C.; Veith, D.J.; Giorgis, G.C.; Walker, D.E.; Seim, O.S.

1982-01-01

The Fuel-Performance Test Facility (FPTF) is the latest in a series of special EBR-II instrumented in-core test facilities. A flow control valve in the facility is programmed to vary the coolant flow, and thus the temperature, in an experimental-irradiation subassembly beneath it and coupled to it. In this way, thermal transients can be simulated in that subassembly without changing the temperatures in surrounding subassemblies. The FPTF also monitors sodium flow and temperature, and detects delayed neutrons in the sodium effluent from the experimental-irradiation subassembly beneath it. This facility also has an acoustical detector (high-temperature microphone) for detecting sodium boiling

Análise de séries temporais na operação de sistema de tratamento de águas residuárias de abatedouro de frango Time series analysis on the operation of a poultry slaughterhouse wastewater treatment plant

Directory of Open Access Journals (Sweden)

Ivana Ribeiro de Nardi

2005-12-01

Full Text Available Esse trabalho apresenta a avaliação de dados de operação de sistema de tratamento de águas residuárias de abatedouro de frango, através da análise de séries temporais. O objetivo principal foi a obtenção de modelo de previsão capaz de antecipar o controle da operação do sistema de tratamento de águas residuárias do abatedouro, constituindo subsídio para obtenção de estratégias de gestão do sistema de tratamento existente. Registros de 42 meses de parâmetros de monitoramento foram utilizados na modelagem de séries temporais. O modelo de ajuste exponencial para previsão dos valores de demanda química de oxigênio do efluente industrial e do afluente dos reatores biológicos apresentou bom ajuste (erro percentual absoluto da média aritmética menor que 20% com diferenças na capacidade de previsão menores que 15%.This paper presents the evaluation of the operating data of the poultry slaughterhouse wastewater treatment plant, by means of time series analysis. It aimed at obtaining a forecasting model able to have the operation of the slaughterhouse wastewater treatment system under control, what leads to subsidy for acquiring the management strategies of the wastewater treatment system. Records of 42 months of the monitoring parameters were used in the time series modeling. The exponentially weighted moving average model for obtaining chemical oxygen demand values of the industrial effluent and the reactors influent stream showed proper adjustment (mean absolute percentage error values smaller than 20%, where the differences on the prediction feasibility were smaller than 15%.

Substitution of valine for glycine-558 in the congenital dysthrombin thrombin Quick II alters primary substrate specificity

Energy Technology Data Exchange (ETDEWEB)

Henriksen, R.A.; Mann, K.G. (Univ. of Vermont, Burlington (USA))

1989-03-07

Thrombin Quick II is one of two dysfunctional forms of thrombin derived from the previously described congenital dysprothrombin prothrombin Quick. Thrombin Quick II does not clot fibrinogen, hydrolyze p-nitroanilide substrates of thrombin, or bind N{sup 2}-(5-(dimethylamino)naphthalene-1-sulfonyl)arginine N,N-(3-ethyl-1,5-pentanediyl)amide, a high-affinity competitive inhibitor of thrombin. To determine the structural alteration in thrombin Quick II, the reduced, carboxymethylated protein was hydrolyzed by a lysyl endopeptidase. A peptide not present in a parallel thrombin hydrolysate was identified by reverse-phase chromatography. This Gly residue, which is highly conserved in the chymotrypsin family of serine proteases, forms part of the substrate binding pocket for bulky aromatic and basic side chains in chymotrypsin and trypsin, respectively. However, in porcine elastase 1, the corresponding residue is threonine. Consistent with the identified structural alteration, thrombin Quick II incorporates ({sup 3}H)diisopropyl fluorophosphate stoichiometrically and hydrolyzes the elastase substrate succinyl-Ala-Ala-Pro-Leu-p-nitroanilide with a relative k{sub cat}/K{sub M} of 0.14 when compared to thrombin. This results from a 3-fold increase in K{sub M} and a 2.5-fold decrease in k{sub cat} for thrombin Quick II when compared to thrombin acting on the same substrate. These results and those of other investigators studying mutant trypsins support the conclusion that the catalytic activity of serine proteases is very sensitive to structural alterations in the primary substrate binding pocket.

Residual stress concerns in containment analysis

International Nuclear Information System (INIS)

Costantini, F.; Kulak, R. F.; Pfeiffer, P. A.

1997-01-01

The manufacturing of steel containment vessels starts with the forming of flat plates into curved plates. A steel containment structure is made by welding individual plates together to form the sections that make up the complex shaped vessels. The metal forming and welding process leaves residual stresses in the vessel walls. Generally, the effect of metal forming residual stresses can be reduced or virtually eliminated by thermally stress relieving the vesseL In large containment vessels this may not be practical and thus the residual stresses due to manufacturing may become important. The residual stresses could possibly tiect the response of the vessel to internal pressurization. When the level of residual stresses is significant it will affect the vessel's response, for instance the yielding pressure and possibly the failure pressure. The paper will address the effect of metal forming residual stresses on the response of a generic pressure vessel to internal pressurization. A scoping analysis investigated the effect of residual forming stresses on the response of an internally pressurized vessel. A simple model was developed to gain understanding of the mechanics of the problem. Residual stresses due to the welding process were not considered in this investigation

Genetic heterogeneity of Usher syndrome type II: localisation to chromosome 5q

OpenAIRE

Pieke-Dahl, S; Moller, C; Kelley, P; Astuto, L; Cremers, C; Gorin, M; Kimberling, W

2000-01-01

Usher syndrome is a group of autosomal recessive disorders that includes retinitis pigmentosa (RP) with hearing loss. Usher syndrome type II is defined as moderate to severe hearing loss with RP. The USH2A gene at 1q41 has been isolated and characterised. In 1993, a large Usher II family affected with a mild form of RP was found to be unlinked to 1q41 markers. Subsequent linkage studies of families in our Usher series identified several type II families unlinked to USH2A and USH3 on 3q25. Aft...

Characterization of Hospital Residuals

International Nuclear Information System (INIS)

Blanco Meza, A.; Bonilla Jimenez, S.

1997-01-01

The main objective of this investigation is the characterization of the solid residuals. A description of the handling of the liquid and gassy waste generated in hospitals is also given, identifying the source where they originate. To achieve the proposed objective the work was divided in three stages: The first one was the planning and the coordination with each hospital center, in this way, to determine the schedule of gathering of the waste can be possible. In the second stage a fieldwork was made; it consisted in gathering the quantitative and qualitative information of the general state of the handling of residuals. In the third and last stage, the information previously obtained was organized to express the results as the production rate per day by bed, generation of solid residuals for sampled services, type of solid residuals and density of the same ones. With the obtained results, approaches are settled down to either determine design parameters for final disposition whether for incineration, trituration, sanitary filler or recycling of some materials, and storage politics of the solid residuals that allow to determine the gathering frequency. The study concludes that it is necessary to improve the conditions of the residuals handling in some aspects, to provide the cleaning personnel of the equipment for gathering disposition and of security, minimum to carry out this work efficiently, and to maintain a control of all the dangerous waste, like sharp or polluted materials. In this way, an appreciable reduction is guaranteed in the impact on the atmosphere. (Author) [es

Applications of bauxite residue: A mini-review.

Science.gov (United States)

Verma, Ajay S; Suri, Narendra M; Kant, Suman

2017-10-01

Bauxite residue is the waste generated during alumina production by Bayer's process. The amount of bauxite residue (40-50 wt%) generated depends on the quality of bauxite ore used for the processing. High alkalinity and high caustic content in bauxite residue causes environmental risk for fertile soil and ground water contamination. The caustic (NaOH) content in bauxite residue leads to human health risks, like dermal problems and irritation to eyes. Moreover, disposal of bauxite residue requires a large area; such problems can only be minimised by utilising bauxite residue effectively. For two decades, bauxite residue has been used as a binder in cement industries and filler/reinforcement for composite materials in the automobile industry. Valuable metals and oxides, like alumina (Al 2 O 3 ), titanium oxide (TiO 2 ) and iron oxide Fe 2 O 3 , were extracted from bauxite residue to reduce waste. Bauxite residue was utilised in construction and structure industries to make geopolymers. It was also used in the making of glass-ceramics and a coating material. Recently bauxite residue has been utilised to extract rare earth elements like scandium (Sc), yttrium (Y), lanthanum (La), cerium (Ce), neodymium (Nd) and dysprosium (Dy). In this review article, the mineralogical characteristics of bauxite residue are summarised and current progresses on utilisation of bauxite residue in different fields of science and engineering are presented in detail.

Residual stresses and critical diameter in vitreous matrix materials; Tensoes residuais e diametro critico em materiais com matrizes vitreas

Energy Technology Data Exchange (ETDEWEB)

Mastelaro, Valmor R.; Zanotto, Edgar D. [Sao Carlos Univ., SP (Brazil). Dept. de Engenharia de Materiais

1995-12-31

The present study was undertaken to test the validity of existing models for: i) the residual internal stresses which arise due to thermal and elastic mismatch in duplex systems, and ii) the critical particle diameter for spontaneous cracking. Partially crystallized 1,07 Na{sub 2} O-2 Ca O-3 Si O{sub 2} - 6% P{sub 2} O{sub 5} glasses were studied. The experimental residual stress was in excellent agreement with the calculated value, however, the critical particle diameter, estimated by an energy balance approach, was more than ten times smaller than the experimental value. This discrepancy indicates that the energy model is not applicable in this case. (author) 1 figs., 3 tabs.

Fluorescence lifetime components reveal kinetic intermediate states upon equilibrium denaturation of carbonic anhydrase II.

Science.gov (United States)

Nemtseva, Elena V; Lashchuk, Olesya O; Gerasimova, Marina A; Melnik, Tatiana N; Nagibina, Galina S; Melnik, Bogdan S

2017-12-21

In most cases, intermediate states of multistage folding proteins are not 'visible' under equilibrium conditions but are revealed in kinetic experiments. Time-resolved fluorescence spectroscopy was used in equilibrium denaturation studies. The technique allows for detecting changes in the conformation and environment of tryptophan residues in different structural elements of carbonic anhydrase II which in its turn has made it possible to study the intermediate states of carbonic anhydrase II under equilibrium conditions. The results of equilibrium and kinetic experiments using wild-type bovine carbonic anhydrase II and its mutant form with the substitution of leucine for alanine at position 139 (L139A) were compared. The obtained lifetime components of intrinsic tryptophan fluorescence allowed for revealing that, the same as in kinetic experiments, under equilibrium conditions the unfolding of carbonic anhydrase II ensues through formation of intermediate states.

Constructing networks from a dynamical system perspective for multivariate nonlinear time series.

Science.gov (United States)

Nakamura, Tomomichi; Tanizawa, Toshihiro; Small, Michael

2016-03-01

We describe a method for constructing networks for multivariate nonlinear time series. We approach the interaction between the various scalar time series from a deterministic dynamical system perspective and provide a generic and algorithmic test for whether the interaction between two measured time series is statistically significant. The method can be applied even when the data exhibit no obvious qualitative similarity: a situation in which the naive method utilizing the cross correlation function directly cannot correctly identify connectivity. To establish the connectivity between nodes we apply the previously proposed small-shuffle surrogate (SSS) method, which can investigate whether there are correlation structures in short-term variabilities (irregular fluctuations) between two data sets from the viewpoint of deterministic dynamical systems. The procedure to construct networks based on this idea is composed of three steps: (i) each time series is considered as a basic node of a network, (ii) the SSS method is applied to verify the connectivity between each pair of time series taken from the whole multivariate time series, and (iii) the pair of nodes is connected with an undirected edge when the null hypothesis cannot be rejected. The network constructed by the proposed method indicates the intrinsic (essential) connectivity of the elements included in the system or the underlying (assumed) system. The method is demonstrated for numerical data sets generated by known systems and applied to several experimental time series.

Concomitant contact allergies to formaldehyde, methylchloroisothiazolinone/methylisothiazolinone, methylisothiazolinone, and fragrance mixes I and II.

Science.gov (United States)

Pontén, Ann; Bruze, Magnus; Engfeldt, Malin; Hauksson, Inese; Isaksson, Marléne

2016-11-01

Contact allergies to the preservatives formaldehyde and methylchloroisothiazolinone (MCI)/methylisothiazolinone (MI) have been reported to appear together at a statistically significant level. Recently, revisions concerning the patch test preparations of MCI/MI, MI and formaldehyde have been recommended for the European baseline series. To investigate (i) the number of concomitant contact allergies to the preservatives, (ii) the number of concomitant contact allergies to the preservatives and the fragrance mixes (FM I and FM II) and (iii) gender differences. Patients tested with the Swedish baseline series during the period 2012-2014 at the Department of Occupational and Environmental Dermatology in Malmö, Sweden were investigated. 2165 patients were patch tested with the baseline series (34% males and 66% females). Contact allergies to formaldehyde and MCI/MI and/or MI were significantly associated (p fragrance allergy. Males and females do not differ significantly concerning contact allergy to fragrances. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Management of NORM Residues

International Nuclear Information System (INIS)

2013-06-01

The IAEA attaches great importance to the dissemination of information that can assist Member States in the development, implementation, maintenance and continuous improvement of systems, programmes and activities that support the nuclear fuel cycle and nuclear applications, and that address the legacy of past practices and accidents. However, radioactive residues are found not only in nuclear fuel cycle activities, but also in a range of other industrial activities, including: - Mining and milling of metalliferous and non-metallic ores; - Production of non-nuclear fuels, including coal, oil and gas; - Extraction and purification of water (e.g. in the generation of geothermal energy, as drinking and industrial process water; in paper and pulp manufacturing processes); - Production of industrial minerals, including phosphate, clay and building materials; - Use of radionuclides, such as thorium, for properties other than their radioactivity. Naturally occurring radioactive material (NORM) may lead to exposures at some stage of these processes and in the use or reuse of products, residues or wastes. Several IAEA publications address NORM issues with a special focus on some of the more relevant industrial operations. This publication attempts to provide guidance on managing residues arising from different NORM type industries, and on pertinent residue management strategies and technologies, to help Member States gain perspectives on the management of NORM residues

A sample lesson plan for the course English Composition II

Directory of Open Access Journals (Sweden)

Córdoba Cubillo, Patricia

2005-03-01

Full Text Available The goal of this article is to present a lesson plan and a series of sample tasks to help the instructors from the course English Composition II, at the School of Modern Languages from the University of Costa Rica, to guide students write an essay integrating the four skills: listening, speaking, reading, and writing. These activities will be a source of comprehensible input for the learners that will hopefully result in a good writing piece. El objetivo de este artículo es presentar un plan de lección y una serie de actividades que le ayudarán a los y las instructoras del curso Composición Inglesa II de la Escuela de Lenguas Modernas de la Universidad de Costa Rica a guiar a sus estudiantes a escribir un ensayo integrando las cuatro macro-destrezas, a saber comprensión auditiva, conversación, lectura y escritura. Mediante estas actividades se espera que los estudiantes elaboren un ensayo de calidad.

Characterization of Flame Cut Heavy Steel: Modeling of Temperature History and Residual Stress Formation

Science.gov (United States)

Jokiaho, T.; Laitinen, A.; Santa-aho, S.; Isakov, M.; Peura, P.; Saarinen, T.; Lehtovaara, A.; Vippola, M.

2017-12-01

Heavy steel plates are used in demanding applications that require both high strength and hardness. An important step in the production of such components is cutting the plates with a cost-effective thermal cutting method such as flame cutting. Flame cutting is performed with a controlled flame and oxygen jet, which burns the steel and forms a cutting edge. However, the thermal cutting of heavy steel plates causes several problems. A heat-affected zone (HAZ) is generated at the cut edge due to the steep temperature gradient. Consequently, volume changes, hardness variations, and microstructural changes occur in the HAZ. In addition, residual stresses are formed at the cut edge during the process. In the worst case, unsuitable flame cutting practices generate cracks at the cut edge. The flame cutting of thick steel plate was modeled using the commercial finite element software ABAQUS. The results of modeling were verified by X-ray diffraction-based residual stress measurements and microstructural analysis. The model provides several outcomes, such as obtaining more information related to the formation of residual stresses and the temperature history during the flame cutting process. In addition, an extensive series of flame cut samples was designed with the assistance of the model.

Residual Inequity: Assessing the Unintended Consequences of New York City’s Clean Heat Transition

Science.gov (United States)

Carrión, Daniel; Lee, W. Victoria; Hernández, Diana

2018-01-01

Energy policies and public health are intimately intertwined. In New York City, a series of policies, known as the Clean Heat Program (CHP), were designed to reduce air pollution by banning residual diesel fuel oils, #6 in 2015 and #4 by 2030. This measure is expected to yield environmental and public health benefits over time. While there is near-universal compliance with the #6 ban, a substantial number of buildings still use #4. In this paper, geographic analysis and qualitative interviews with stakeholders were used to interrogate the CHP’s policy implementation in Northern Manhattan and the Bronx. A total of 1724 (53%) of all residential residual fuel burning buildings are located in this region. Stakeholders reflected mostly on the need for the program, and overall reactions to its execution. Major findings include that government partnerships with non-governmental organizations were effectively employed. However, weaknesses with the policy were also identified, including missed opportunities for more rapid transitions away from residual fuels, unsuccessful outreach efforts, cost-prohibitive conversion opportunities, and (the perception of) a volatile energy market for clean fuels. Ultimately, this analysis serves as a case study of a unique and innovative urban policy initiative to improve air quality and, consequently, public health. PMID:29324717

Residual Inequity: Assessing the Unintended Consequences of New York City’s Clean Heat Transition

Directory of Open Access Journals (Sweden)

Daniel Carrión

2018-01-01

Full Text Available Energy policies and public health are intimately intertwined. In New York City, a series of policies, known as the Clean Heat Program (CHP, were designed to reduce air pollution by banning residual diesel fuel oils, #6 in 2015 and #4 by 2030. This measure is expected to yield environmental and public health benefits over time. While there is near-universal compliance with the #6 ban, a substantial number of buildings still use #4. In this paper, geographic analysis and qualitative interviews with stakeholders were used to interrogate the CHP’s policy implementation in Northern Manhattan and the Bronx. A total of 1724 (53% of all residential residual fuel burning buildings are located in this region. Stakeholders reflected mostly on the need for the program, and overall reactions to its execution. Major findings include that government partnerships with non-governmental organizations were effectively employed. However, weaknesses with the policy were also identified, including missed opportunities for more rapid transitions away from residual fuels, unsuccessful outreach efforts, cost-prohibitive conversion opportunities, and (the perception of a volatile energy market for clean fuels. Ultimately, this analysis serves as a case study of a unique and innovative urban policy initiative to improve air quality and, consequently, public health.

Immobilization of acid digestion residue

International Nuclear Information System (INIS)

Greenhalgh, W.O.; Allen, C.R.

1983-01-01

Acid digestion treatment of nuclear waste is similar to incineration processes and results in the bulk of the waste being reduced in volume and weight to some residual solids termed residue. The residue is composed of various dispersible solid materials and typically contains the resultant radioactivity from the waste. This report describes the immobilization of the residue in portland cement, borosilicate glass, and some other waste forms. Diagrams showing the cement and glass virtification parameters are included in the report as well as process steps and candidate waste product forms. Cement immobilization is simplest and probably least expensive; glass vitrification exhibits the best overall volume reduction ratio

Total hip arthroplasty performed in patients with residual poliomyelitis: does it work?

Science.gov (United States)

Yoon, Byung-Ho; Lee, Young-Kyun; Yoo, Jeong Joon; Kim, Hee Joong; Koo, Kyung-Hoi

2014-03-01

Patients with residual poliomyelitis can have advanced degenerative arthritis of the hip in the paralytic limb or the nonparalytic contralateral limb. Although THA is a treatment option for some of these patients, there are few studies regarding THA in this patient population. We therefore reviewed a group of patients with residual poliomyelitis who underwent cementless THA on either their paralytic limb or nonparalytic limb to assess (1) Harris hip scores, (2) radiographic results, including implant loosening, (3) complications, including dislocation, and (4) limb length discrepancy after recovery from surgery. From January 2000 to December 2009, 10 patients with residual poliomyelitis (10 hips, four paralytic limbs and six nonparalytic contralateral limbs) underwent THA using cementless prostheses. Harris hip scores, complications, and leg length discrepancy were determined by chart review, and confirmed by questionnaire and examination; radiographs were reviewed by two observers for this study. Followup was available for all 10 patients at a minimum of 3 years (median, 7 years; range, 3.4-13 years). Surgery was done at the same side of the paralytic limb in four hips and contralateral to the paralytic limb in six. All patients had pain relief and improvement in function; the Harris hip score improved from mean of 68 preoperatively to 92 at last followup (p = 0.043). However, only three patients had complete pain relief. One hip dislocated, which was treated successfully with closed reduction and a hip spica cast for 2 months. There was no loosening or osteolysis in this series. Leg length discrepancy improved after the index operation, but only in the THAs performed in the paralytic limbs. Cementless THA may be suitable for painful hips in adult patients with residual poliomyelitis. Nonetheless, these patients should be informed of the possibility of mild residual pain and persistent leg length discrepancy, particularly patients whose THA is performed on the

Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II ...

Indian Academy of Sciences (India)

Unknown

Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II) Schiff base complexes derived from o-phenylenediamine and acetoacetanilide. N RAMAN*, Y PITCHAIKANI RAJA and A KULANDAISAMY. Department of Chemistry, VHNSN College, Virudhunagar 626 001, India e-mail: ra_man@123india.com.

Proof tests of irradiated and unirradiated EBR-II subassembly ducts

International Nuclear Information System (INIS)

Ruther, W.E.; Chopra, P.S.; Lambert, J.D.B.

1977-01-01

A series of dynamic pressure tests have been conducted within EBR-II subassembly ducts. The tests were designed to simulate bursting of a driver-fuel element in a cluster of such elements at their burnup limit during off-normal conditions in EBR-II. The major objective of the tests was to assure that such failure, which might cause rapid release of stored fission gas, would not deform or otherwise damage subassembly ducts in a way that would hinder movement of a control rod. The test results are described

Extending the Applicability of the Generalized Likelihood Function for Zero-Inflated Data Series

Science.gov (United States)

Oliveira, Debora Y.; Chaffe, Pedro L. B.; Sá, João. H. M.

2018-03-01

Proper uncertainty estimation for data series with a high proportion of zero and near zero observations has been a challenge in hydrologic studies. This technical note proposes a modification to the Generalized Likelihood function that accounts for zero inflation of the error distribution (ZI-GL). We compare the performance of the proposed ZI-GL with the original Generalized Likelihood function using the entire data series (GL) and by simply suppressing zero observations (GLy>0). These approaches were applied to two interception modeling examples characterized by data series with a significant number of zeros. The ZI-GL produced better uncertainty ranges than the GL as measured by the precision, reliability and volumetric bias metrics. The comparison between ZI-GL and GLy>0 highlights the need for further improvement in the treatment of residuals from near zero simulations when a linear heteroscedastic error model is considered. Aside from the interception modeling examples illustrated herein, the proposed ZI-GL may be useful for other hydrologic studies, such as for the modeling of the runoff generation in hillslopes and ephemeral catchments.

Crystallization and preliminary X-ray analysis of Acetivibrio cellulolyticus cellulosomal type II cohesin module: two versions having different linker lengths

International Nuclear Information System (INIS)

Noach, Ilit; Alber, Orly; Bayer, Edward A.; Lamed, Raphael; Levy-Assaraf, Maly; Shimon, Linda J. W.; Frolow, Felix

2007-01-01

The cloning, expression, purification, crystallization and preliminary X-ray characterization of two protein constructs of the second type II cohesin module from A. cellulolyticus ScaB are described. Both constructs contain the native N-terminal linker, but only one of them contains the full-length 45-residue C-terminal linker; the other contains a five-residue segment of this linker. The second type II cohesin module of the cellulosomal scaffoldin polypeptide ScaB from Acetivibrio cellulolyticus (CohB2) was cloned into two constructs: one containing a short (five-residue) C-terminal linker (CohB2-S) and the second incorporating the full native 45-residue linker (CohB2-L). Both constructs encode proteins that also include the full native six-residue N-terminal linker. The CohB2-S and CohB2-L proteins were expressed, purified and crystallized in the orthorhombic crystal system, but with different unit cells and symmetries: space group P2 1 2 1 2 1 with unit-cell parameters a = 90.36, b = 68.65, c = 111.29 Å for CohB2-S and space group P2 1 2 1 2 with unit-cell parameters a = 68.76, b = 159.22, c = 44.21 Å for CohB2-L. The crystals diffracted to 2.0 and 2.9 Å resolution, respectively. The asymmetric unit of CohB2-S contains three cohesin molecules, while that of CohB2-L contains two molecules

Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

Science.gov (United States)

Stegemann, Robert; Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas; Wimpory, Robert; Boin, Mirko; Kreutzbruck, Marc

2017-03-01

The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth.

Radioactive material in residues of health services residues

International Nuclear Information System (INIS)

Costa R, A. Jr.; Recio, J.C.

2006-01-01

The work presents the operational actions developed by the one organ responsible regulator for the control of the material use radioactive in Brazil. Starting from the appearance of coming radioactive material of hospitals and clinical with services of nuclear medicine, material that that is picked up and transported in specific trucks for the gathering of residuals of hospital origin, and guided one it manufactures of treatment of residuals of services of health, where they suffer radiological monitoring before to guide them for final deposition in sanitary embankment, in the city of Sao Paulo, Brazil. The appearance of this radioactive material exposes a possible one violation of the norms that govern the procedures and practices in that sector in the country. (Author)

Biologically active new Fe(II, Co(II, Ni(II, Cu(II, Zn(II and Cd(II complexes of N-(2-thienylmethylenemethanamine

Directory of Open Access Journals (Sweden)

C. SPÎNU

2008-04-01

Full Text Available Iron(II, cobalt(II, nickel (II, copper (II, zinc(II and cadmium(II complexes of the type ML2Cl2, where M is a metal and L is the Schiff base N-(2-thienylmethylenemethanamine (TNAM formed by the condensation of 2-thiophenecarboxaldehyde and methylamine, were prepared and characterized by elemental analysis as well as magnetic and spectroscopic measurements. The elemental analyses suggest the stoichiometry to be 1:2 (metal:ligand. Magnetic susceptibility data coupled with electronic, ESR and Mössbauer spectra suggest a distorted octahedral structure for the Fe(II, Co(II and Ni(II complexes, a square-planar geometry for the Cu(II compound and a tetrahedral geometry for the Zn(II and Cd(II complexes. The infrared and NMR spectra of the complexes agree with co-ordination to the central metal atom through nitrogen and sulphur atoms. Conductance measurements suggest the non-electrolytic nature of the complexes, except for the Cu(II, Zn(II and Cd(II complexes, which are 1:2 electrolytes. The Schiff base and its metal chelates were screened for their biological activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the metal chelates were found to possess better antibacterial activity than that of the uncomplexed Schiff base.

Improved crop residue cover estimates by coupling spectral indices for residue and moisture

Science.gov (United States)

Remote sensing assessment of soil residue cover (fR) and tillage intensity will improve our predictions of the impact of agricultural practices and promote sustainable management. Spectral indices for estimating fR are sensitive to soil and residue water content, therefore, the uncertainty of estima...

Statistical inference on residual life

CERN Document Server

Jeong, Jong-Hyeon

2014-01-01

This is a monograph on the concept of residual life, which is an alternative summary measure of time-to-event data, or survival data. The mean residual life has been used for many years under the name of life expectancy, so it is a natural concept for summarizing survival or reliability data. It is also more interpretable than the popular hazard function, especially for communications between patients and physicians regarding the efficacy of a new drug in the medical field. This book reviews existing statistical methods to infer the residual life distribution. The review and comparison includes existing inference methods for mean and median, or quantile, residual life analysis through medical data examples. The concept of the residual life is also extended to competing risks analysis. The targeted audience includes biostatisticians, graduate students, and PhD (bio)statisticians. Knowledge in survival analysis at an introductory graduate level is advisable prior to reading this book.

Pipe Overpack Container Fire Testing: Phase I II & III.

Energy Technology Data Exchange (ETDEWEB)

Figueroa, Victor G. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ammerman, Douglas J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lopez, Carlos [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gill, Walter [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2018-02-01

The Pipe Overpack Container (POC) was developed at Rocky Flats to transport plutonium residues with higher levels of plutonium than standard transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP) for disposal. In 1996 Sandia National Laboratories (SNL) conducted a series of tests to determine the degree of protection POCs provided during storage accident events. One of these tests exposed four of the POCs to a 30-minute engulfing pool fire, resulting in one of the 7A drum overpacks generating sufficient internal pressure to pop off its lid and expose the top of the pipe container (PC) to the fire environment. The initial contents of the POCs were inert materials, which would not generate large internal pressure within the PC if heated. POCs are now being used to store combustible TRU waste at Department of Energy (DOE) sites. At the request of DOE’s Office of Environmental Management (EM) and National Nuclear Security Administration (NNSA), starting in 2015 SNL conducted a series of fire tests to examine whether PCs with combustibles would reach a temperature that would result in (1) decomposition of inner contents and (2) subsequent generation of sufficient gas to cause the PC to over-pressurize and release its inner content. Tests conducted during 2015 and 2016 were done in three phases. The goal of the first phase was to see if the PC would reach high enough temperatures to decompose typical combustible materials inside the PC. The goal of the second test phase was to determine under what heating loads (i.e., incident heat fluxes) the 7A drum lid pops off from the POC drum. The goal of the third phase was to see if surrogate aerosol gets released from the PC when the drum lid is off. This report will describe the various tests conducted in phase I, II, and III, present preliminary results from these tests, and discuss implications for the POCs.

Role of residual stresses induced by double peening on fatigue durability of automotive leaf springs

International Nuclear Information System (INIS)

Scuracchio, Bruno Geoffroy; Batista de Lima, Nelson; Schön, Cláudio Geraldo

2013-01-01

Highlights: ► Proper choice of peening media is needed for higher fatigue strength in leaf springs. ► Optimum double-peening condition for leaf springs: 0.8 mm shot, followed by 0.3 mm. ► Fatigue life correlates with residual stress levels at the surface (up to 0.02 mm). ► Residual stress profile below 0.02 mm has no measurable effect over fatigue life. ► Failure of the investigated parts is nucleation-controlled. - Abstract: Improvement of fatigue life in parts subjected to cyclic stresses by application of mechanical surface treatment processes is already well known, both in the industry and in the academy. Dealing with automotive springs, the shot peening process becomes an essential step in manufacturing. In the case of leaf springs, however, a systematic investigation of the effect of shot peening on fatigue life is still required. The aim of the present work is to improve the knowledge on the role of shot peening in manufacturing leaf springs for vehicles, through the analysis of residual stresses by X-ray diffraction and fatigue tests on a series of samples that were subject to ten different peening schedules. Among the investigated processes, the usage of 0.8 mm diameter cast steel shot followed by a second peening with 0.3 mm diameter cast steel shot leads to optimal performance, regarding fatigue life. X-ray diffraction analysis shows that this improved performance may be attributed to residual compressive stress maintained until a depth of 0.02 mm below the surface, which directly influences fatigue crack nucleation. Residual stresses induced by shot peening in larger depths have no influence on the sample’s fatigue life

Effect of repeated pesticide applications on soil properties in cotton fields: II. Insecticide residues and impact on dehydrogenase and arginine deaminase activities

International Nuclear Information System (INIS)

Vig, K.; Singh, D.K.; Agarwal, H.C.; Dhawan, A.K.; Dureja, P.

2001-01-01

Insecticides were applied sequentially at recommended dosages post crop emergence in cotton fields and soil was sampled at regular intervals after each treatment. Soil was analysed for insecticide residues and activity of the enzymes dehydrogenase and arginine deaminase. Insecticide residues detected in the soil were in small quantities and they did not persist for long. Only endosulfan leached below 15 cm. Insecticides had only temporary effects on enzyme activities which disappeared either before the next insecticide treatment or by the end of the experimental period. (author)

Restoration of environments with radioactive residues. Papers and discussions. Proceedings of an international symposium

International Nuclear Information System (INIS)

2000-01-01

After the use of radioactive substances or the application of nuclear energy, radioactive residues may remain in the environment and may give rise to radiation exposure of people. Radioactive residues can originate from several sources. They may be remnants following the termination of a practice such as the decommissioning of a nuclear power plant. Occasionally, residues can derive from the accumulation of radionuclides from normal discharges to the environment of radioactive effluents from practices. Most commonly, they are the result of human activities that have been performed in the past without proper regard for the current international radiation protection requirements. They can also be the consequence of accidents that have released radioactive material to the environment. Radioactive residues are also generated by nature, e.g. in natural deposits of radioactive material found in the earth. Spring waters convey these materials. No matter what the cause of radioactive residues may be, there is the question of whether any restoration of the affected environment is required and, if so, to what extent it should be performed. The International Symposium on Restoration of Environments with Radioactive Residues was devoted to discussing these questions and to fostering the exchange of information on this subject. The Symposium explored five main topics: global overview of the problem; restoration principles and criteria; case studies of actual radiological assessments; a critical analysis of the case studies; and the role of public participation in the decision aiding and decision making processes. The Programme Committee of the Symposium accepted a number of contributed papers and posters for consideration at the Symposium, and these were published shortly before the Symposium. In early 2000, the IAEA released as Working Material a draft, unedited compilation of the present Proceedings Series publication. The present publication, which constitutes the record of

New series of ORACLE tutorials, March-June 2006

CERN Multimedia

Catherine Delamare

2006-01-01

The IT DES Oracle Support team is pleased to announce the new series of Oracle tutorials with the proposed schedule: Thursday 30 March - Design - Arash Khodabandeh Thursday 20 April - SQL I - Eva Dafonte Perez Thursday 27 April - SQL II - Lucia Moreno Lopez Thursday 4 May - Architecture - Montse Collados Thursday 11 May - Tuning - Michal Kwiatek Thursday 1 June - PL/SQL I - Eva Dafonte Perez Thursday 8 June - PL/SQL II - Nilo Segura Thursday 15 June - Oracle Tools and Bindings with languages - Eric Grancher, Nilo Segura These tutorials will take place in the IT Auditorium (bldg. 31/3-004) starting at 10:00. The average duration will be 1 hour plus time for questions. There is no need to register in advance. You can access the previous 2002-2003 sessions at http://it-des.web.cern.ch/IT-DES/DIS/oracle/tutorials.html If you need more information, please contact Catherine.Delamare@cern.ch

Inversion of residual stress profiles from ultrasonic Rayleigh wave dispersion data

Science.gov (United States)

Mora, P.; Spies, M.

2018-05-01

We investigate theoretically and with synthetic data the performance of several inversion methods to infer a residual stress state from ultrasonic surface wave dispersion data. We show that this particular problem may reveal in relevant materials undesired behaviors for some methods that could be reliably applied to infer other properties. We focus on two methods, one based on a Taylor-expansion, and another one based on a piecewise linear expansion regularized by a singular value decomposition. We explain the instabilities of the Taylor-based method by highlighting singularities in the series of coefficients. At the same time, we show that the other method can successfully provide performances which only weakly depend on the material.

Optimised ExpTime Tableaux for ℋℐ over Finite Residuated Lattices

Directory of Open Access Journals (Sweden)

Jian Huang

2014-01-01

Full Text Available This study proposes to adopt a novel tableau reasoning algorithm for the description logic ℋℐ with semantics based on a finite residuated De Morgan lattice. The syntax, semantics, and logical properties of this logic are given, and a sound, complete, and terminating tableaux algorithm for deciding fuzzy ABox consistency and concept satisfiability problem with respect to TBox is presented. Moreover, based on extended and/or completion-forest with a series of sound optimization technique for checking satisfiability with respect to a TBox in the logic, a new optimized ExpTime (complexity-optimal tableau decision procedure is presented here. The experimental evaluation indicates that the optimization techniques we considered result in improved efficiency significantly.

An investigation of radionuclide uptake into food crops grown in soils treated with bauxite mining residues