WorldWideScience

Sample records for single water complex

  1. Microscopic models for proton transfer in water and strongly hydrogen-bonded complexes with a single-well proton potential

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2004-01-01

    A new mechanism and formalism for proton transfer in donor-acceptor complexes with long hydrogen bonds introduced recently [1], is applied to a proton transfer in liquid water. "Structural diffusion" of hydroxonium ions is regarded as totally adiabatic process, with synchronous hindered translation...... of two closest water molecules to and from the reaction complex as crucial steps. The water molecules induce a "gated" shift of the proton from the donor to the acceptor in the double-well potential with simultaneous breaking/formation of hydrogen bonds between these molecules and the proton donor...... and acceptor. The short-range and long-range proton transfer as "structural diffusion" of Zundel complexes is also considered. The theoretical formalism is illustrated with the use of Morse, exponential, and harmonic molecular potentials. This approach is extended to proton transfer in strongly hydrogen...

  2. Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Kaushik; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2015-07-28

    Single-stranded DNA (ss-DNA) binding proteins specifically bind to the single-stranded regions of the DNA and protect it from premature annealing, thereby stabilizing the DNA structure. We have carried out atomistic molecular dynamics simulations of the aqueous solutions of two DNA binding K homology (KH) domains (KH3 and KH4) of the far upstream element binding protein complexed with two short ss-DNA segments. Attempts have been made to explore the influence of the formation of such complex structures on the microscopic dynamics and hydrogen bond properties of the interfacial water molecules. It is found that the water molecules involved in bridging the ss-DNA segments and the protein domains form a highly constrained thin layer with extremely retarded mobility. These water molecules play important roles in freezing the conformational oscillations of the ss-DNA oligomers and thereby forming rigid complex structures. Further, it is demonstrated that the effect of complexation on the slow long-time relaxations of hydrogen bonds at the interface is correlated with hindered motions of the surrounding water molecules. Importantly, it is observed that the highly restricted motions of the water molecules bridging the protein and the DNA components in the complexed forms originate from more frequent hydrogen bond reformations.

  3. Alanine water complexes.

    Science.gov (United States)

    Vaquero, Vanesa; Sanz, M Eugenia; Peña, Isabel; Mata, Santiago; Cabezas, Carlos; López, Juan C; Alonso, José L

    2014-04-10

    Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

  4. Laser desorption single-conformation UV and IR spectroscopy of the sulfonamide drug sulfanilamide, the sulfanilamide-water complex, and the sulfanilamide dimer.

    Science.gov (United States)

    Uhlemann, Thomas; Seidel, Sebastian; Müller, Christian W

    2017-06-07

    We have studied the conformational preferences of the sulfonamide drug sulfanilamide, its dimer, and its monohydrated complex through laser desorption single-conformation UV and IR spectroscopy in a molecular beam. Based on potential energy curves for the inversion of the anilinic and the sulfonamide NH 2 groups calculated at DFT level, we suggest that the zero-point level wave function of the sulfanilamide monomer is appreciably delocalized over all four conformer wells. The sulfanilamide dimer, and the monohydrated complex each exhibit a single isomer in the molecular beam. The isomeric structures of the sulfanilamide dimer and the monohydrated sulfanilamide complex were assigned based on their conformer-specific IR spectra in the NH and OH stretch region. Quantum Theory of Atoms in Molecules (QTAIM) analysis of the calculated electron density in the water complex suggests that the water molecule is bound side-on in a hydrogen bonding pocket, donating one O-HO[double bond, length as m-dash]S hydrogen bond and accepting two hydrogen bonds, a NHO and a CHO hydrogen bond. QTAIM analysis of the dimer electron density suggests that the C i symmetry dimer structure exhibits two dominating N-HO[double bond, length as m-dash]S hydrogen bonds, and three weaker types of interactions: two CHO bonds, two CHN bonds, and a chalcogen OO interaction. Most interestingly, the molecular beam dimer structure closely resembles the R dimer unit - the dimer unit with the greatest interaction energy - of the α, γ, and δ crystal polymorphs. Interacting Quantum Atoms analysis provides evidence that the total intermolecular interaction in the dimer is dominated by the short-range exchange-correlation contribution.

  5. Analysis of major histocompatibility complex class II gene in water voles using capillary electrophoresis-single stranded conformation polymorphism

    Czech Academy of Sciences Publication Activity Database

    Bryja, Josef; Galan, M.; Charbonnel, N.; Cosson, J.-F.

    2005-01-01

    Roč. 5, č. 1 (2005), s. 173-176 ISSN 1471-8278 Institutional research plan: CEZ:AV0Z6093917 Keywords : water vole * population genetics Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 1.219, year: 2005

  6. Complex single gene disorders and epilepsy.

    LENUS (Irish Health Repository)

    Merwick, Aine

    2012-09-01

    Epilepsy is a heterogeneous group of disorders, often associated with significant comorbidity, such as intellectual disability and skin disorder. The genetic underpinnings of many epilepsies are still being elucidated, and we expect further advances over the coming 5 years, as genetic technology improves and prices fall for whole exome and whole genome sequencing. At present, there are several well-characterized complex epilepsies associated with single gene disorders; we review some of these here. They include well-recognized syndromes such as tuberous sclerosis complex, epilepsy associated with Rett syndrome, some of the progressive myoclonic epilepsies, and novel disorders such as epilepsy associated with mutations in the PCDH 19 gene. These disorders are important in informing genetic testing to confirm a diagnosis and to permit better understanding of the variability in phenotype-genotype correlation.

  7. Preparation of detergent-lipase complexes utilizing water-soluble amphiphiles in single aqueous phase and catalysis of transesterifications in homogeneous organic solvents.

    Science.gov (United States)

    Mine, Y; Fukunaga, K; Maruoka, N; Nakao, K; Sugimura, Y

    2000-01-01

    A novel method of preparing detergent-enzyme complexes that can be employed in organic media was developed utilizing newly synthesized water-soluble nonionic gemini-type detergents, N,N-bis(3-D-gluconamidopropyl)-3-(dialkyl-L-glutamatecarbonyl)propanamides (BIG2CnCA: n = 10,12,14,16,18) and N,N-bis(3-D-lactonamidopropyl)-3-(dialkyl-L-glutamatecarbonyl)propanamides (BIL2CnCA: n = 16,18), and nonionic twin-headed detergents, N,N-bis(3-D-gluconamidopropyl)alkanamides (BIG1Cn: n = 12,14,16,18,delta9). This method simply entails mixing a selected enzyme with an appropriate detergent in an aqueous solution followed by lyophilization, and it offers the advantages of enhanced enzymatic activity in organic solvents and eliminates both enzyme loss and the necessity for an organic solvent in the preparation stage. Using various modified lipases originating from Aspergillus niger (Lipase A), Candida rugosa (Lipase C), Pseudomonas cepacia (Lipase P), and porcine pancreas (PPL), prepared using the novel method and detergents, including conventional synthesized nonionic detergents such as dialkyl N-D-glucona-L-glutamates (2CnGE: n = 12,18delta9) and octanoyl-N-methylglucamide (MEGA-8), enantioselective transesterifications of 6-methyl-5-hepten-2-ol (sulcatol) and 2,2-dimethyl-1,3-dioxolane-4-methanol (solketal) with a vinyl or isopropenyl carboxylate were carried out in an organic solvent. The modified lipase activity was influenced by both the lipases and the structure of the detergents. The value for the hydrophile-lipophile balance (HLB) of the detergent provided a means of correlating the structure and the obtained modified lipase activity. For detergents of the same class with a HLB value of approximately 9 and 12, the highest activity was obtained for Lipase A and Lipase P, and Lipase C and PPL, respectively. Among detergents of the same HLB value tested, the gemini-type detergents possessing the most bulky head and tail were most effective as a modifier for lipases of all

  8. Y-12 National Security Complex Water Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Elam, Shana E.; Bassett, P.; McMordie Stoughton, Kate

    2010-11-01

    The Department of Energy's Federal Energy Management Program (FEMP) sponsored a water assessment at the Y 12 National Security Complex (Y 12) located in Oak Ridge, Tennessee. Driven by mandated water reduction goals of Executive Orders 13423 and 13514, the objective of the water assessment is to develop a comprehensive understanding of the current water-consuming applications and equipment at Y 12 and to identify key areas for water efficiency improvements that could be applied not only at Y-12 but at other Federal facilities as well. FEMP selected Pacific Northwest National Laboratory to coordinate and manage the water assessment. PNNL contracted Water Savers, LLC to lead the technical aspects of the water assessment. Water Savers provided key technical expertise in water auditing, metering, and cooling systems. This is the report of that effort, which concluded that the Y-12 facility could realize considerable water savings by implementing the recommended water efficiency opportunities.

  9. Single molecule magnet behaviour in robust dysprosium-biradical complexes.

    Science.gov (United States)

    Bernot, Kevin; Pointillart, Fabrice; Rosa, Patrick; Etienne, Mael; Sessoli, Roberta; Gatteschi, Dante

    2010-09-21

    A Dy-biradical complex was synthesized and characterized down to very low temperature. ac magnetic measurements reveal single molecule magnet behaviour visible without any application of dc field. The transition to the quantum tunneling regime is evidenced. Photophysical and EPR measurements provide evidence of the excellent stability of these complexes in solution.

  10. Mechanism of water oxidation by trivalent ruthenium trisdipyridyl complex

    International Nuclear Information System (INIS)

    Moravskij, A.P.; Khannanov, N.K.; Khramov, A.V.; Shafirovich, V.Ya.

    1983-01-01

    Results of kinetic investigation of water oxidation reaction with photogenerated single-electron oxidizer-trisdipyridyl complex of Ru(3) are presented. CoCl 2 x6H 2 O within the concentration range of [Co 2+ ] 0 =5x10 -7 - 5x10 -5 M was used as a reaction catalyst. The method of stopped flow with spectrophotometric recording was used in order to control the reaction kinetics

  11. Water flow in single rock joints

    International Nuclear Information System (INIS)

    Hakami, Eva

    1989-05-01

    To study the hydromechanical properties of single rock joints a technique to make transparent replicas of natural joint surfaces has been developed. Five different joint samples were replicated and studied. The aperture distribution of the joints were obtained through a measurement method provided by the transparent replicas. The principle behind the method is that a water drop with a known volume, which is placed inside a joint, will cover a certain area of the surface depending on the average size of aperture at the actual point. Flow tests were performed on the same joint replicas. The tortuousity of the flow and the velocity along single stream lines were measured using colour injections into the water flow through the joints. The equivalent hydraulic apertures determined from the flow tests where shown to be smaller than the average mechanical apertures. The velocity of the flow varies strongly between different paths over the joint depending on the spatial distribution of the apertures. The degree of matedness between the joint surfaces is an important factor influencing the channeling character of the joints. (author) (38 refs.)

  12. Water surface modeling from a single viewpoint video.

    Science.gov (United States)

    Li, Chuan; Pickup, David; Saunders, Thomas; Cosker, Darren; Marshall, David; Hall, Peter; Willis, Philip

    2013-07-01

    We introduce a video-based approach for producing water surface models. Recent advances in this field output high-quality results but require dedicated capturing devices and only work in limited conditions. In contrast, our method achieves a good tradeoff between the visual quality and the production cost: It automatically produces a visually plausible animation using a single viewpoint video as the input. Our approach is based on two discoveries: first, shape from shading (SFS) is adequate to capture the appearance and dynamic behavior of the example water; second, shallow water model can be used to estimate a velocity field that produces complex surface dynamics. We will provide qualitative evaluation of our method and demonstrate its good performance across a wide range of scenes.

  13. Fluorescence spectroscopy of conformational changes of single LH2 complexes

    NARCIS (Netherlands)

    Rutkauskas, D.; Novoderezhkin, V.; Cogdell, R.J.; van Grondelle, R.

    2005-01-01

    We have investigated the energy landscape of the bacterial photosynthetic peripheral light-harvesting complex LH2 of purple bacterium Rhodopseudomonas acidophila by monitoring sequences of fluorescence spectra of single LH2 assemblies, at room temperature, with different excitation intensities as

  14. White OLED with a single-component europium complex.

    Science.gov (United States)

    Law, Ga-Lai; Wong, Ka-Leung; Tam, Hoi-Lam; Cheah, Kok-Wai; Wong, Wing-Tak

    2009-11-16

    A new direction for white organic light-emitting devices is shown, fabricated from a novel europium complex; this single component contains a double emission center of bluish-green and red, combined to a give a pure white emission (CIE x = 0.34 and y = 0.35).

  15. Single Molecule Spectroscopy on Photosynthetic Pigment-Protein Complexes

    CERN Document Server

    Jelezko, F; Schuler, S; Thews, E; Tietz, C; Wechsler, A; Wrachtrup, J

    2001-01-01

    Single molecule spectroscopy was applied to unravel the energy transfer pathway in photosynthetic pigment-protein complexes. Detailed analysis of excitation and fluorescence emission spectra has been made for peripheral plant antenna LHC II and Photosystem I from cyanobacterium Synechococcus elongatus. Optical transitions of individual pigments were resolved under nonselective excitation of antenna chlorophylls. High-resolution fluorescence spectroscopy of individual plant antenna LHC II indicates that at low temperatures, the excitation energy is localized on the red-most Chl a pool absorbing at 680 nm. More than one pigment molecule is responsible for the fluorescence emission of the LHC II trimer. The spectral lines of single Chl a molecules absorbing at 675 nm are broadened because of the Foerster energy transfer towards the red-most pigments. Low-temperature spectroscopy on single PS I trimers indicates that two subgroups of pigments, which are present in the red antenna pool, differ by the strength of t...

  16. Single photon emission computed tomography in AIDS dementia complex

    International Nuclear Information System (INIS)

    Pohl, P.; Vogl, G.; Fill, H.; Roessler, H.Z.; Zangerle, R.; Gerstenbrand, F.

    1988-01-01

    Single photon emission computed tomography (SPECT) studies were performed in AIDS dementia complex using IMP in 12 patients (and HM-PAO in four of these same patients). In all patients, SPECT revealed either multiple or focal uptake defects, the latter corresponding with focal signs or symptoms in all but one case. Computerized tomography showed a diffuse cerebral atrophy in eight of 12 patients, magnetic resonance imaging exhibited changes like atrophy and/or leukoencephalopathy in two of five cases. Our data indicate that both disturbance of cerebral amine metabolism and alteration of local perfusion share in the pathogenesis of AIDS dementia complex. SPECT is an important aid in the diagnosis of AIDS dementia complex and contributes to the understanding of the pathophysiological mechanisms of this disorder

  17. Single stage reconstruction of complex anterior urethral strictures

    Directory of Open Access Journals (Sweden)

    Deepak Dubey

    2001-01-01

    Full Text Available Purpose: Single stage reconstruction of long, com-plex urethral strictures is technically demanding and may require the use of more than one tissue transfer technique. We describe our experience in the manage-ment of such strictures with a variety of urethroplasty techniques. Materials and Methods: Between 1989 and 1999, 25 men (mean age 38.5 years underwent single stage re-construction of panurethral, multiple segment or focally dense strictures [mean length 11.2 cm (range 8-17 cm]. 8 patients had combined substitution urethroplasty with a circumpenile fasciocutaneous flap and a free graft of bladder/buccal mucosa or tunica vaginalis . flap. In 10 patients a single tissue transfer technique was used. 3 patients underwent an augmented roof/floor strip ure-throplasty with a penile skin flap. 4 patients with multi-ple segment strictures (separate pendulous and bulbar underwent distal onlay flap and proximal anastomotic urethroplasty. Results: The median ,follow-up was 46.5 months (range 6-88 months. The mean postoperative flow rate improved to 22.5 ml/sec. 2 patients developed fistulae requiring repair. Recurrent stricture developed in 5 (20.8% patients, of which 2 were managed with visual internal urethrotomy, 2 with anastomotic urethroplasty and 1 with a two-stage procedure. Pseudodiverticulum and post-void dribbling were seen in 6 (25% patients. Conclusions: Successful outcome of single stage re-construction of long complex strictures can be achieved with a combination of various tissue transfer methods. The urologist who has a thorough knowledge of penile skin and urethral vascular anatomy and a wide array of substitution techniques in his armamentarium can un-dertake approach to such strictures.

  18. Measuring the complex field scattered by single submicron particles

    Energy Technology Data Exchange (ETDEWEB)

    Potenza, Marco A. C., E-mail: marco.potenza@unimi.it; Sanvito, Tiziano [Department of Physics, University of Milan, via Celoria, 16 – I-20133 Milan (Italy); CIMAINA, University of Milan, via Celoria, 16 – I-20133 Milan (Italy); EOS s.r.l., viale Ortles 22/4, I-20139 Milan (Italy); Pullia, Alberto [Department of Physics, University of Milan, via Celoria, 16 – I-20133 Milan (Italy)

    2015-11-15

    We describe a method for simultaneous measurements of the real and imaginary parts of the field scattered by single nanoparticles illuminated by a laser beam, exploiting a self-reference interferometric scheme relying on the fundamentals of the Optical Theorem. Results obtained with calibrated spheres of different materials are compared to the expected values obtained through a simplified analytical model without any free parameters, and the method is applied to a highly polydisperse water suspension of Poly(D,L-lactide-co-glycolide) nanoparticles. Advantages with respect to existing methods and possible applications are discussed.

  19. Conquering complexity - Dealing with uncertainty and ambiguity in water management

    NARCIS (Netherlands)

    Hommes, Saskia

    2008-01-01

    Water management problems are embedded in a natural and social system that is characterized by complexity. Knowledge uncertainty and the existence of divergent actors’ perceptions contribute to this complexity. Consequently, dealing with water management issues is not just a knowledge uncertainty

  20. Speciation of Zinc Mixed Ligand Complexes in Salt Water Systems ...

    African Journals Online (AJOL)

    Speciation of Zinc Mixed Ligand Complexes in Salt Water Systems. ... method has been used to study heavy metal interaction in model lake water in KNO3 ... is of no consequential effect because in its normal state, the [OH-] of the lake water is ...

  1. The Complexities of Water Disaster Adaptation

    DEFF Research Database (Denmark)

    Buch-Hansen, Mogens; Luu Bich, Ngoc; Man Quang, Huy

    2015-01-01

    The article argues for an interdisciplinary approach to studying the complex circumstances that turn natural hazards into disasters. It takes on the ambitious task of combining a social sciences-inspired vulnerability and adaptation analysis with a natural science-based hydrological modelling...

  2. Spectroscopic characterization of the ethyl radical-water complex.

    Science.gov (United States)

    Lin, Chen; Finney, Brian A; Laufer, Allan H; Anglada, Josep M; Francisco, Joseph S

    2016-10-14

    An ab initio investigation has been employed to determine the structural and spectroscopic parameters, such as rotational constants, vibrational frequencies, vertical excitation energies, and the stability of the ethyl-water complex. The ethyl-water complex has a binding energy of 1.15 kcal⋅mol -1 . The interaction takes place between the hydrogen of water and the unpaired electron of the radical. This interaction is found to produce a red shift in the OH stretching bands of water of ca. 84 cm -1 , and a shift of all UV absorption bands to higher energies.

  3. Water-chemical regime of a fast reactor ower complex

    International Nuclear Information System (INIS)

    Musikhin, R.N.; Piskunov, E.M.; Samarkin, A.A.; Yurchenko, D.S.

    1983-01-01

    Some peculiarities of water-chemical regime of a power compleX in Shevchenko are considered. The complex comprises a desalination unit, a gas-masout heating-and-power plant and the BN-350 reactor. The compleX is used for the production of electric and thermal energy and fresh water. The power complex peculiarity is the utilization of disalinated seawater in a technological cycle along with highly mineralized seawater with a total salt content of 13.5 g/l (for cooling) in heat exchanges. A regime of ammoniacal correction of feed water was used as a basic water-chemical regime in the initial period of the BN-350 steam generator operation. Deposits composed mainly of iron oxide slime were observed on steam generator surfaces during the operation under these conditions. A conclusion is made that the regime with chelating agent providing steam generator safe operation without chemical cleaning is the most expedient one

  4. GraDeR: Membrane Protein Complex Preparation for Single-Particle Cryo-EM.

    Science.gov (United States)

    Hauer, Florian; Gerle, Christoph; Fischer, Niels; Oshima, Atsunori; Shinzawa-Itoh, Kyoko; Shimada, Satoru; Yokoyama, Ken; Fujiyoshi, Yoshinori; Stark, Holger

    2015-09-01

    We developed a method, named GraDeR, which substantially improves the preparation of membrane protein complexes for structure determination by single-particle cryo-electron microscopy (cryo-EM). In GraDeR, glycerol gradient centrifugation is used for the mild removal of free detergent monomers and micelles from lauryl maltose-neopentyl glycol detergent stabilized membrane complexes, resulting in monodisperse and stable complexes to which standard processes for water-soluble complexes can be applied. We demonstrate the applicability of the method on three different membrane complexes, including the mammalian FoF1 ATP synthase. For this highly dynamic and fragile rotary motor, we show that GraDeR allows visualizing the asymmetry of the F1 domain, which matches the ground state structure of the isolated domain. Therefore, the present cryo-EM structure of FoF1 ATP synthase provides direct structural evidence for Boyer's binding change mechanism in the context of the intact enzyme. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Ecotoxicology of waters under the influence of a petrochemical complex

    Energy Technology Data Exchange (ETDEWEB)

    Noll, R.; Zandonai, V.; Ries, M.A. [CORSAN-SITEL, Triunfo, RS (Brazil). Polo Petrquimico do Sul

    1993-12-31

    This work summarizes the regular monitoring and studies conducted by SITEL - The Integrated Wastewater Treatment System of South Petrochemical Complex (South Brazil) - in order to evaluate the full environmental impact on waters in the area of influence of the effluents of the above mentioned Complex. 8 refs., 1 fig., 5 tabs.

  6. Ecotoxicology of waters under the influence of a petrochemical complex

    Energy Technology Data Exchange (ETDEWEB)

    Noll, R; Zandonai, V; Ries, M A [CORSAN-SITEL, Triunfo, RS (Brazil). Polo Petrquimico do Sul

    1994-12-31

    This work summarizes the regular monitoring and studies conducted by SITEL - The Integrated Wastewater Treatment System of South Petrochemical Complex (South Brazil) - in order to evaluate the full environmental impact on waters in the area of influence of the effluents of the above mentioned Complex. 8 refs., 1 fig., 5 tabs.

  7. Validation of single-sample doubly labeled water method

    International Nuclear Information System (INIS)

    Webster, M.D.; Weathers, W.W.

    1989-01-01

    We have experimentally validated a single-sample variant of the doubly labeled water method for measuring metabolic rate and water turnover in a very small passerine bird, the verdin (Auriparus flaviceps). We measured CO 2 production using the Haldane gravimetric technique and compared these values with estimates derived from isotopic data. Doubly labeled water results based on the one-sample calculations differed from Haldane values by less than 0.5% on average (range -8.3 to 11.2%, n = 9). Water flux computed by the single-sample method differed by -1.5% on average from results for the same birds based on the standard, two-sample technique (range -13.7 to 2.0%, n = 9)

  8. Single-molecule magnetism in a single-ion triamidoamine uranium(V) terminal mono-oxo complex

    International Nuclear Information System (INIS)

    King, David M.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.; Tuna, Floriana; McInnes, Eric J.L.

    2013-01-01

    Straightforward oxidation of a triamidoamine uranium(III) complex with trimethyl-N-oxide affords a uranium(V) terminal mono-oxo complex which is the first clear-cut example of a uranium(V) single-molecule magnet (SMM). This monometallic complex unambiguously shows that a strongly axially ligated and thus anisotropic ligand field can be used to overcome the limited magnetic anisotropy of uranium(V). [de

  9. Effects of water-channel attractions on single-file water permeation through nanochannels

    International Nuclear Information System (INIS)

    Xu, Yousheng; Zheng, Youqu; Tian, Xingling; Lv, Mei; He, Bing; Deng, Maolin; Xiu, Peng; Tu, Yusong

    2016-01-01

    Single-file transportation of water across narrow nanochannels such as carbon nanotubes has attracted much attention in recent years. Such permeation can be greatly affected by the water-channel interactions; despite some progress, this issue has not been fully explored. Herein we use molecular dynamics simulations to investigate the effects of water-channel attractions on occupancy, translational (transportation) and orientational dynamics of water inside narrow single-walled carbon nanotubes (SWNTs). We use SWNTs as the model nanochannels and change the strength of water-nanotube attractions to mimic the changes in the hydrophobicity/polarity of the nanochannel. We investigate the dependence of water occupancy inside SWNTs on the water-channel attraction and identify the corresponding threshold values for drying states, wetting-drying transition states, and stably wetting states. As the strength of water-channel attractions increases, water flow increases rapidly first, and then decreases gradually; the maximal flow occurs in the case where the nanochannel is predominately filled with the 1D water wire but with a small fraction of ‘empty states’, indicating that appropriate empty-filling (drying-wetting) switching can promote water permeation. This maximal flow is unexpected, since in traditional view, the stable and tight hydrogen-bonding network of the water wire is the prerequisite for high permeability of water. The underlying mechanism is discussed from an energetic perspective. In addition, the effect of water-channel attractions on reorientational dynamics of the water wire is studied, and a negative correlation between the flipping frequency of water wire and the water-channel attraction is observed. The underlying mechanism is interpreted in term of the axial total dipole moment of inner water molecules. This work would help to better understand the effects of water-channel attractions on wetting properties of narrow nanochannels, and on single

  10. Singlet-triplet annihilation in single LHCII complexes

    NARCIS (Netherlands)

    Gruber, J.M.; Chmeliov, J.; Kruger, T.P.J.; Valkunas, L.; van Grondelle, R.

    2015-01-01

    In light harvesting complex II (LHCII) of higher plants and green algae, carotenoids (Cars) have an important function to quench chlorophyll (Chl) triplet states and therefore avoid the production of harmful singlet oxygen. The resulting Car triplet states lead to a non-linear self-quenching

  11. Single-stranded nucleic acids promote SAMHD1 complex formation.

    Science.gov (United States)

    Tüngler, Victoria; Staroske, Wolfgang; Kind, Barbara; Dobrick, Manuela; Kretschmer, Stefanie; Schmidt, Franziska; Krug, Claudia; Lorenz, Mike; Chara, Osvaldo; Schwille, Petra; Lee-Kirsch, Min Ae

    2013-06-01

    SAM domain and HD domain-containing protein 1 (SAMHD1) is a dGTP-dependent triphosphohydrolase that degrades deoxyribonucleoside triphosphates (dNTPs) thereby limiting the intracellular dNTP pool. Mutations in SAMHD1 cause Aicardi-Goutières syndrome (AGS), an inflammatory encephalopathy that mimics congenital viral infection and that phenotypically overlaps with the autoimmune disease systemic lupus erythematosus. Both disorders are characterized by activation of the antiviral cytokine interferon-α initiated by immune recognition of self nucleic acids. Here we provide first direct evidence that SAMHD1 associates with endogenous nucleic acids in situ. Using fluorescence cross-correlation spectroscopy, we demonstrate that SAMHD1 specifically interacts with ssRNA and ssDNA and establish that nucleic acid-binding and formation of SAMHD1 complexes are mutually dependent. Interaction with nucleic acids and complex formation do not require the SAM domain, but are dependent on the HD domain and the C-terminal region of SAMHD1. We finally demonstrate that mutations associated with AGS exhibit both impaired nucleic acid-binding and complex formation implicating that interaction with nucleic acids is an integral aspect of SAMHD1 function.

  12. Validation of CATHENA MOD-3.5/Rev0 for single-phase water hammer

    International Nuclear Information System (INIS)

    Beuthe, T.G.

    2000-01-01

    This paper describes work performed to validate the system thermalhydraulics code CATHENA MOD-3.5c/Rev0 for single-phase water hammer. Simulations were performed and are compared quantitatively against numerical tests and experimental results from the Seven Sisters Water Hammer Facility to demonstrate CATHENA can predict the creation and propagation of pressure waves when valves are opened and closed. Simulations were also performed to show CATHENA can model the behaviour of reflected and transmitted pressure waves at area changes, dead ends, tanks, boundary conditions, and orifices in simple and more complex piping systems. The CATHENA results are shown to calculate pressure and wave propagation speeds to within 0.2% and 0.5% respectively for numerical tests and within 3.3% and 5% for experimental results respectively. These results are used to help validate CATHENA for use in single-phase water hammer analysis. They also provide assurance that the fundamental parameters needed to successfully model more complex forms of water hammer are accounted for in the MOD-3.5c/Rev0 version of CATHENA, and represent the first step in the process to validate the code for use in modelling two-phase water hammer and condensation-induced water hammer. (author)

  13. Antimony(3) ethylenediaminetetraacetate complexes with single- and doubly charged cations

    International Nuclear Information System (INIS)

    Davidovich, R.L.; Logvinova, V.B.; Kajdalova, T.A.

    1998-01-01

    The antimony(3) ethylenediaminetetraacetate complexes with alkaline and bivalent metals cations of the M + Sb(Edta) · H 2 O (M + = K, Rb, Cs, NH 4 ), M 2+ [Sb(Edta)] 2 · 8H 2 O (M 2+ = Mg, Ca, Sr, Co, Cd) composition are synthesized. Roentgenographic and IR-spectroscopic characteristics of the synthesized substances are determined. Two groups of the isostructural compounds: M + Sb(Edta) · H 2 O (M + = K, Rb, NH 4 ) and M 2+ [Sb(Edta)] 2 · 8H 2 O (M 2+ = Mg, Ca, Sr, Mn, Co, Cd) are established [ru

  14. Spectra of single-bubble sonoluminescence in water and glycerin-water mixtures

    International Nuclear Information System (INIS)

    Gaitan, D.F.; Atchley, A.A.; Lewia, S.D.; Carlson, J.T.; Maruyama, X.K.; Moran, M.; Sweider, D.

    1996-01-01

    A single gas bubble, acoustically levitated in a standing-wave field and oscillating under the action of that field, can emit pulses of blue-white light with duration less than 50 ps. Measurements of the spectrum of this picosecond sonoluminescence with a scanning monochrometer are reported for air bubbles levitated in water and in glycerin-water mixtures. While the spectrum has been reported previously by others for air bubbles in water, the spectrum for air bubbles in water-glycerin mixtures has not. Expected emission lines from glycerin were conspicuously absent, suggesting a different mechanism for light production in single-bubble sonoluminescence. Other conclusions are the spectrum for air bubbles in water is consistent with that previously reported, the radiated energy decreases as the glycerin concentration increases, and the peak of the spectrum appears to shift to longer wavelengths for the water-glycerin mixtures. copyright 1996 The American Physical Society

  15. Single-molecule magnetism in a single-ion triamidoamine uranium(V) terminal mono-oxo complex

    Energy Technology Data Exchange (ETDEWEB)

    King, David M.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [School of Chemistry, University of Nottingham (United Kingdom); Tuna, Floriana; McInnes, Eric J.L. [School of Chemistry and Photon Science Institute, University of Manchester (United Kingdom)

    2013-04-26

    Straightforward oxidation of a triamidoamine uranium(III) complex with trimethyl-N-oxide affords a uranium(V) terminal mono-oxo complex which is the first clear-cut example of a uranium(V) single-molecule magnet (SMM). This monometallic complex unambiguously shows that a strongly axially ligated and thus anisotropic ligand field can be used to overcome the limited magnetic anisotropy of uranium(V). (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Single-molecule magnetism in a single-ion triamidoamine uranium(V) terminal mono-oxo complex

    International Nuclear Information System (INIS)

    King, David M.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.; Tuna, Floriana; McInnes, Eric J.L.

    2013-01-01

    Straightforward oxidation of a triamidoamine uranium(III) complex with trimethyl-N-oxide affords a uranium(V) terminal mono-oxo complex which is the first clear-cut example of a uranium(V) single-molecule magnet (SMM). This monometallic complex unambiguously shows that a strongly axially ligated and thus anisotropic ligand field can be used to overcome the limited magnetic anisotropy of uranium(V). (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Nye Lecture: Water Under Ice: Curiosities, Complexities, and Catastrophes

    Science.gov (United States)

    Clarke, G. K.

    2006-12-01

    flood occurring 4 km below the surface of the East Antarctic Ice Sheet has reignited interest in this important question. Complexity is the hallmark of nonlinear systems and the coupled subglacial interactions of ice, water, and sediment systems are certain to be nonlinear and complex. This complexity may account for the lack of agreement concerning the processes that govern subglacial landform genesis and which, for the most part, remain challenging and mysterious.

  18. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes

    DEFF Research Database (Denmark)

    Pirrotta, Alessandro; De Vico, Luca; Solomon, Gemma C.

    2017-01-01

    to inform about molecular recognition events at the single-molecule limit. For this, we consider the force-conductance characteristics of a prototypical class of hydrogen bonded bimolecular complexes sandwiched between gold electrodes. The complexes consist of derivatives of a barbituric acid and a Hamilton...... is mechanically manipulated. The implication is that force and conductance provide complementary information about the evolution of molecules in junctions that can be used to interrogate basic structure-transport relations at the single-molecule limit....

  19. Book Review: Water Diplomacy: A Negotiated Approach to Managing Complex Water Networks

    Science.gov (United States)

    Hossain, Faisal

    2013-01-01

    All nations have built their economies around water that is naturally available. Almost all sectors of the economy depend on water. Yet there is conflict among various users for the finite amount of water that is available. Managers and practitioners have long held the notion that competition rather than collaboration is the solution when there is conflict. Water Diplomacy: A Negotiated Approach to Managing Complex Water Networks, by Shafiqul Islam and Lawrence Susskind, provides a refreshingly compelling alternative to overcoming water conflicts. The book argues that the dynamic sociopolitical and socioeconomic constraints of water resources are best addressed in a "diplomacy" framework. The book rebuts, using several case studies, the technically rigid competition approach of today's water sharing practice.

  20. Interaction of complexes I, III, and IV within the bovine respirasome by single particle cryoelectron tomography

    NARCIS (Netherlands)

    Dudkina, Natalya V.; Kudryashev, Mikhail; Stahlberg, Henning; Boekema, Egbert J.

    2011-01-01

    The respirasome is a multisubunit supercomplex of the respiratory chain in mitochondria. Here we report the 3D reconstruction of the bovine heart respirasome, composed of dimeric complex III and single copies of complex I and IV, at about 2.2-nm resolution, determined by cryoelectron tomography and

  1. Land subsidence caused by a single water extraction well and rapid water infiltration

    Directory of Open Access Journals (Sweden)

    I. Martinez-Noguez

    2015-11-01

    Full Text Available Nowadays several parts of the world suffer from land subsidence. This setting of the earth surface occurs due to different factors such as earth quakes, mining activities, and gas, oil and water withdrawal. This research presents a numerical study of the influence of land subsidence caused by a single water extraction well and rapid water infiltration into structural soil discontinuities. The numerical simulation of the infiltration was based on a two-phase flow-model for porous media, and for the deformation a Mohr–Coulomb model was used. A two-layered system with a fault zone is presented. First a single water extraction well is simulated producing a cone-shaped (conical water level depletion, which can cause land subsidence. Land Subsidence can be further increased if a hydrological barrier as a result of a discontinuity, exists. After water extraction a water column is applied on the top boundary for one hours in order to represent a strong storm which produces rapid water infiltration through the discontinuity as well as soil deformation. Both events are analysed and compared in order to characterize deformation of both elements and to get a better understanding of the land subsidence and new fracture formations.

  2. Single-molecule magnetism in a single-ion triamidoamine uranium(V) terminal mono-oxo complex

    Energy Technology Data Exchange (ETDEWEB)

    King, David M.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [Nottingham Univ. (United Kingdom). School of Chemistry; Tuna, Floriana; McInnes, Eric J.L. [Manchester Univ. (United Kingdom). School of Chemistry

    2013-04-26

    Straightforward oxidation of a triamidoamine uranium(III) complex with trimethyl-N-oxide affords a uranium(V) terminal mono-oxo complex which is the first clear-cut example of a uranium(V) single-molecule magnet (SMM). This monometallic complex unambiguously shows that a strongly axially ligated and thus anisotropic ligand field can be used to overcome the limited magnetic anisotropy of uranium(V). [German] Die direkte Oxidation eines Triamidoamin-Uran(III)-Komplexes mit Trimethyl-N-oxid liefert einen terminalen Uran(V)-Mono(oxo)komplex, der das erste gesicherte Beispiel eines Uran(V)-Einzelmolekuelmagnets ist. Dieser monometallische Komplex zeigt eindeutig, dass ein starkes axiales und somit anisotropes Ligandenfeld die begrenzte magnetische Anisotropie von Uran(V) beseitigen kann.

  3. Cleavage and formation of molecular dinitrogen in a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine.

    Science.gov (United States)

    Miyazaki, Takamasa; Tanaka, Hiromasa; Tanabe, Yoshiaki; Yuki, Masahiro; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki

    2014-10-20

    The N≡N bond of molecular dinitrogen bridging two molybdenum atoms in the pentamethylcyclopentadienyl molybdenum complexes that bear ferrocenyldiphosphine as an auxiliary ligand is homolytically cleaved under visible light irradiation at room temperature to afford two molar molybdenum nitride complexes. Conversely, the bridging molecular dinitrogen is reformed by the oxidation of the molybdenum nitride complex at room temperature. This result provides a successful example of the cleavage and formation of molecular dinitrogen induced by a pair of two different external stimuli using a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine under ambient conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Evidence for organic complexed copper in sea water

    Energy Technology Data Exchange (ETDEWEB)

    Slowey, J F; Jeffrey, L M; Hood, D W

    1967-04-22

    A few attempts have been made to characterize the chemical components contributing to the copper content of seawater. About 0.3 mu/liter of particulate copper in 2 stations in the English Channel and 15 mu/liter of ultrafilterable (10 mu) but non-dialyzable copper in a sample from Texas Bay has been reported. Also the evidence has been shown for copper in the organic form in waters of the Florida Current. The occasional presence of non- dialyzable copper for many samples from the Gulf of Mexico suggests that strongly complexed copper-organic compounds are present in seawater. This communication presents evidence for such complexes that are extractable into a nonpolar solvent in the absence of any added chelating agent. Preliminary results have shown that the copper- organic complex isolated by chloroform extraction occurs in the eighth fraction of the Hirsch and Ahrens lipid separation method using silica gel chromatography. This would indicate that copper complex is associated with the phospholipid, amino lipid, or porphyrin fraction of the lipids.

  5. Determining Complex Structures using Docking Method with Single Particle Scattering Data

    Directory of Open Access Journals (Sweden)

    Haiguang Liu

    2017-04-01

    Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

  6. Water Accounting Plus (WA+) - a water accounting procedure for complex river basins based on satellite measurements

    Science.gov (United States)

    Karimi, P.; Bastiaanssen, W. G. M.; Molden, D.

    2012-11-01

    Coping with the issue of water scarcity and growing competition for water among different sectors requires proper water management strategies and decision processes. A pre-requisite is a clear understanding of the basin hydrological processes, manageable and unmanageable water flows, the interaction with land use and opportunities to mitigate the negative effects and increase the benefits of water depletion on society. Currently, water professionals do not have a common framework that links hydrological flows to user groups of water and their benefits. The absence of a standard hydrological and water management summary is causing confusion and wrong decisions. The non-availability of water flow data is one of the underpinning reasons for not having operational water accounting systems for river basins in place. In this paper we introduce Water Accounting Plus (WA+), which is a new framework designed to provide explicit spatial information on water depletion and net withdrawal processes in complex river basins. The influence of land use on the water cycle is described explicitly by defining land use groups with common characteristics. Analogous to financial accounting, WA+ presents four sheets including (i) a resource base sheet, (ii) a consumption sheet, (iii) a productivity sheet, and (iv) a withdrawal sheet. Every sheet encompasses a set of indicators that summarize the overall water resources situation. The impact of external (e.g. climate change) and internal influences (e.g. infrastructure building) can be estimated by studying the changes in these WA+ indicators. Satellite measurements can be used for 3 out of the 4 sheets, but is not a precondition for implementing WA+ framework. Data from hydrological models and water allocation models can also be used as inputs to WA+.

  7. Speciation of cadmium mixed ligand complexes in salt water lakes

    Directory of Open Access Journals (Sweden)

    John L. Kituyi

    2003-06-01

    Full Text Available Amalgam voltammetry has been used to study heavy metal interaction in model lake water in KNO3 at 23 oC at concentration levels of genuine lake water. The hanging drop amalgam electrode was prepared in situ before exchanging the medium for the sample solution. Half-wave potentials at two metal ion concentrations were measured, one at the actual concentration in the lake while the other at a much lower one. The experimentally determined shifts in half-wave potentials are used to compute several formation constants. At the natural [CO32-] of 0.5 M in the lake, the main contributor to the speciation of cadmium is [Cd(CO3Cl2]2-. At high [Cd2+], the DPASV detects the presence of free Cd2+ ions, hence, potential polluting effect, while the amalgam reports [Cd(CO32Cl] 3- to be dominant above [CO32-] = 0.8 M. There is a variation in the number of complexes detected, their stabilities and percentage distribution in the two methods. Cd2+ ion concentration also affects the number of complexes formed and their stabilities.

  8. Selective Synthesis of Manganese/Silicon Complexes in Supercritical Water

    Directory of Open Access Journals (Sweden)

    Jiancheng Wang

    2014-01-01

    Full Text Available A series of manganese salts (Mn(NO32, MnCl2, MnSO4, and Mn(Ac2 and silicon materials (silica sand, silica sol, and tetraethyl orthosilicate were used to synthesize Mn/Si complexes in supercritical water using a tube reactor. X-ray diffraction (XRD, X-ray photoelectron spectrometer (XPS, transmission electron microscopy (TEM, and scanning electron microscopy (SEM were employed to characterize the structure and morphology of the solid products. It was found that MnO2, Mn2O3, and Mn2SiO4 could be obtained in supercritical water at 673 K in 5 minutes. The roles of both anions of manganese salts and silicon species in the formation of manganese silicon complexes were discussed. The inorganic manganese salt with the oxyacid radical could be easily decomposed to produce MnO2/SiO2 and Mn2O3/SiO2. It is interesting to found that Mn(Ac2 can react with various types of silicon to produce Mn2SiO4. The hydroxyl groups of the SiO2 surface from different silicon sources enhance the reactivity of SiO2.

  9. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes

    Science.gov (United States)

    Pirrotta, Alessandro; De Vico, Luca; Solomon, Gemma C.; Franco, Ignacio

    2017-03-01

    The emerging ability to study physical properties at the single-molecule limit highlights the disparity between what is observable in an ensemble of molecules and the heterogeneous contributions of its constituent parts. A particularly convenient platform for single-molecule studies are molecular junctions where forces and voltages can be applied to individual molecules, giving access to a series of electromechanical observables that can form the basis of highly discriminating multidimensional single-molecule spectroscopies. Here, we computationally examine the ability of force and conductance to inform about molecular recognition events at the single-molecule limit. For this, we consider the force-conductance characteristics of a prototypical class of hydrogen bonded bimolecular complexes sandwiched between gold electrodes. The complexes consist of derivatives of a barbituric acid and a Hamilton receptor that can form up to six simultaneous hydrogen bonds. The simulations combine classical molecular dynamics of the mechanical deformation of the junction with non-equilibrium Green's function computations of the electronic transport. As shown, in these complexes hydrogen bonds mediate transport either by directly participating as a possible transport pathway or by stabilizing molecular conformations with enhanced conductance properties. Further, we observe that force-conductance correlations can be very sensitive to small changes in the chemical structure of the complexes and provide detailed information about the behavior of single molecules that cannot be gleaned from either measurement alone. In fact, there are regions during the elongation that are only mechanically active, others that are only conductance active, and regions where both force and conductance changes as the complex is mechanically manipulated. The implication is that force and conductance provide complementary information about the evolution of molecules in junctions that can be used to

  10. Energy transfer from natural photosynthetic complexes to single-wall carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Wiwatowski, Kamil [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Dużyńska, Anna; Świniarski, Michał [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Szalkowski, Marcin [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Zdrojek, Mariusz; Judek, Jarosław [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Mackowski, Sebastian, E-mail: mackowski@fizyka.umk.pl [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Wroclaw Research Center EIT+, Stablowicka 147, Wroclaw (Poland); Kaminska, Izabela [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland)

    2016-02-15

    Combination of fluorescence imaging and spectroscopy results indicates that single-walled carbon nanotubes are extremely efficient quenchers of fluorescence emission associated with chlorophylls embedded in a natural photosynthetic complex, peridinin-chlorophyll-protein. When deposited on a network of the carbon nanotubes forming a thin film, the emission of the photosynthetic complexes diminishes almost completely. This strong reduction of fluorescence intensity is accompanied with dramatic shortening of the fluorescence lifetime. Concluding, such thin films of carbon nanotubes can be extremely efficient energy acceptors in structures involving biologically functional complexes. - Highlights: • Fluorescence imaging of carbon nanotube - based hybrid structure. • Observation of efficient energy transfer from chlorophylls to carbon nanotubes.

  11. Probing Single Pt Atoms in Complex Intermetallic Al13Fe4.

    Science.gov (United States)

    Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang

    2018-03-21

    The atomic structure of a 0.2 atom % Pt-doped complex metallic alloy, monoclinic Al 13 Fe 4 , was investigated using a single crystal prepared by the Czochralski method. High-angle annular dark-field scanning transmission electron microscopy showed that the Pt atoms were dispersed as single atoms and substituted at Fe sites in Al 13 Fe 4 . Single-crystal X-ray structural analysis revealed that the Pt atoms preferentially substitute at Fe(1). Unlike those that have been reported, Pt single atoms in the surface layers showed lower activity and selectivity than those of Al 2 Pt and bulk Pt for propyne hydrogenation, indicating that the active state of a given single-atom Pt site is strongly dominated by the bonding to surrounding Al atoms.

  12. Excitation energy transfer in natural photosynthetic complexes and chlorophyll trefoils: hole-burning and single complex/trefoil spectroscopic studies

    Energy Technology Data Exchange (ETDEWEB)

    Ryszard Jankowiak, Kansas State University, Department of Chemistry, CBC Bldg., Manhattan KS, 66505; Phone: (785) 532-6785

    2012-09-12

    In this project we studied both natural photosynthetic antenna complexes and various artificial systems (e.g. chlorophyll (Chl) trefoils) using high resolution hole-burning (HB) spectroscopy and excitonic calculations. Results obtained provided more insight into the electronic (excitonic) structure, inhomogeneity, electron-phonon coupling strength, vibrational frequencies, and excitation energy (or electron) transfer (EET) processes in several antennas and reaction centers. For example, our recent work provided important constraints and parameters for more advanced excitonic calculations of CP43, CP47, and PSII core complexes. Improved theoretical description of HB spectra for various model systems offers new insight into the excitonic structure and composition of low-energy absorption traps in very several antenna protein complexes and reaction centers. We anticipate that better understanding of HB spectra obtained for various photosynthetic complexes and their simultaneous fits with other optical spectra (i.e. absorption, emission, and circular dichroism spectra) provides more insight into the underlying electronic structures of these important biological systems. Our recent progress provides a necessary framework for probing the electronic structure of these systems via Hole Burning Spectroscopy. For example, we have shown that the theoretical description of non-resonant holes is more restrictive (in terms of possible site energies) than those of absorption and emission spectra. We have demonstrated that simultaneous description of linear optical spectra along with HB spectra provides more realistic site energies. We have also developed new algorithms to describe both nonresonant and resonant hole-burn spectra using more advanced Redfield theory. Simultaneous description of various optical spectra for complex biological system, e.g. artificial antenna systems, FMO protein complexes, water soluble protein complexes, and various mutants of reaction centers

  13. Single-drop microextraction for the determination of manganese in seafood and water samples

    International Nuclear Information System (INIS)

    Lemos, V.A.; Vieira, U.S.

    2013-01-01

    We describe a method for single drop microextraction of manganese from fish, mollusk, and from natural waters using the reagent 1-(2-pyridylazo)-2-naphthol as the complexing agent and chloroform as the fluid extractor. After extraction, the analyte was directly submitted to graphite furnace electrothermal atomic absorption spectrometry. Once optimized, the method has a detection limit of 30 ng L -1 , a limit of quantification of 100 ng L -1 , and an enrichment factor of 16. Its accuracy was verified by applying the procedure to the following certified reference materials: apple leaves, spinach leaves, bovine liver, and mussel tissue. The procedure was also successfully applied to the determination of manganese in seafood and natural waters. (author)

  14. Fluorescence spectral fluctuations of single LH2 complexes from Rhodopseudomonas acidophila strain 10050

    NARCIS (Netherlands)

    Rutkauskas, D.; Novoderezkhin, V.; Cogdell, R.J.; van Grondelle, R.

    2004-01-01

    We have investigated the energy landscape of the bacterial photosynthetic peripheral light-harvesting complex LH2 of purple bacterium Rhodopseudomonas acidophila by monitoring sequences of fluorescence spectra of single LH2 assemblies, at room temperature, with different excitation intensities as

  15. Enumeration of Combinatorial Classes of Single Variable Complex Polynomial Vector Fields

    DEFF Research Database (Denmark)

    Dias, Kealey

    A vector field in the space of degree d monic, centered single variable complex polynomial vector fields has a combinatorial structure which can be fully described by a combinatorial data set consisting of an equivalence relation and a marked subset on the integers mod 2d-2, satisfying certain...

  16. Technique of complex slime water treatment of coal-mining branch

    OpenAIRE

    Solodov, G. А.; Zhbyr, Е. V.; Papin, А. V.; Nevedrov, А. V.

    2007-01-01

    The possibility of complex slime water treatment at coal-mining and coal-treating plants producing marketable products: power-generating concentrate, coal-water fuel, magnetic fraction, industrial water is shown. A basic process flowsheet of slime water treatment presenting a united technological complex is suggested.

  17. Nonlinear analysis of gas-water/oil-water two-phase flow in complex networks

    CERN Document Server

    Gao, Zhong-Ke; Wang, Wen-Xu

    2014-01-01

    Understanding the dynamics of multi-phase flows has been a challenge in the fields of nonlinear dynamics and fluid mechanics. This chapter reviews our work on two-phase flow dynamics in combination with complex network theory. We systematically carried out gas-water/oil-water two-phase flow experiments for measuring the time series of flow signals which is studied in terms of the mapping from time series to complex networks. Three network mapping methods were proposed for the analysis and identification of flow patterns, i.e. Flow Pattern Complex Network (FPCN), Fluid Dynamic Complex Network (FDCN) and Fluid Structure Complex Network (FSCN). Through detecting the community structure of FPCN based on K-means clustering, distinct flow patterns can be successfully distinguished and identified. A number of FDCN’s under different flow conditions were constructed in order to reveal the dynamical characteristics of two-phase flows. The FDCNs exhibit universal power-law degree distributions. The power-law exponent ...

  18. Letter Report: Stable Hydrogen and Oxygen Isotope Analysis of B-Complex Perched Water Samples

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Brady D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Moran, James J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Nims, Megan K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Saunders, Danielle L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-04-13

    Fine-grained sediments associated with the Cold Creek Unit at Hanford have caused the formation of a perched water aquifer in the deep vadose zone at the B Complex area, which includes waste sites in the 200-DV-1 Operable Unit and the single-shell tank farms in Waste Management Area B-BX-BY. High levels of contaminants, such as uranium, technetium-99, and nitrate, make this aquifer a continuing source of contamination for the groundwater located a few meters below the perched zone. Analysis of deuterium (2H) and 18-oxygen (18O) of nine perched water samples from three different wells was performed. Samples represent time points from hydraulic tests performed on the perched aquifer using the three wells. The isotope analyses showed that the perched water had δ2H and δ18O ratios consistent with the regional meteoric water line, indicating that local precipitation events at the Hanford site likely account for recharge of the perched water aquifer. Data from the isotope analysis can be used along with pumping and recovery data to help understand the perched water dynamics related to aquifer size and hydraulic control of the aquifer in the future.

  19. Humidity-insensitive water evaporation from molecular complex fluids.

    Science.gov (United States)

    Salmon, Jean-Baptiste; Doumenc, Frédéric; Guerrier, Béatrice

    2017-09-01

    We investigated theoretically water evaporation from concentrated supramolecular mixtures, such as solutions of polymers or amphiphilic molecules, using numerical resolutions of a one-dimensional model based on mass transport equations. Solvent evaporation leads to the formation of a concentrated solute layer at the drying interface, which slows down evaporation in a long-time-scale regime. In this regime, often referred to as the falling rate period, evaporation is dominated by diffusive mass transport within the solution, as already known. However, we demonstrate that, in this regime, the rate of evaporation does not also depend on the ambient humidity for many molecular complex fluids. Using analytical solutions in some limiting cases, we first demonstrate that a sharp decrease of the water chemical activity at high solute concentration leads to evaporation rates which depend weakly on the humidity, as the solute concentration at the drying interface slightly depends on the humidity. However, we also show that a strong decrease of the mutual diffusion coefficient of the solution enhances considerably this effect, leading to nearly independent evaporation rates over a wide range of humidity. The decrease of the mutual diffusion coefficient indeed induces strong concentration gradients at the drying interface, which shield the concentration profiles from humidity variations, except in a very thin region close to the drying interface.

  20. Single-molecule spectroscopy reveals photosynthetic LH2 complexes switch between emissive states.

    Science.gov (United States)

    Schlau-Cohen, Gabriela S; Wang, Quan; Southall, June; Cogdell, Richard J; Moerner, W E

    2013-07-02

    Photosynthetic organisms flourish under low light intensities by converting photoenergy to chemical energy with near unity quantum efficiency and under high light intensities by safely dissipating excess photoenergy and deleterious photoproducts. The molecular mechanisms balancing these two functions remain incompletely described. One critical barrier to characterizing the mechanisms responsible for these processes is that they occur within proteins whose excited-state properties vary drastically among individual proteins and even within a single protein over time. In ensemble measurements, these excited-state properties appear only as the average value. To overcome this averaging, we investigate the purple bacterial antenna protein light harvesting complex 2 (LH2) from Rhodopseudomonas acidophila at the single-protein level. We use a room-temperature, single-molecule technique, the anti-Brownian electrokinetic trap, to study LH2 in a solution-phase (nonperturbative) environment. By performing simultaneous measurements of fluorescence intensity, lifetime, and spectra of single LH2 complexes, we identify three distinct states and observe transitions occurring among them on a timescale of seconds. Our results reveal that LH2 complexes undergo photoactivated switching to a quenched state, likely by a conformational change, and thermally revert to the ground state. This is a previously unobserved, reversible quenching pathway, and is one mechanism through which photosynthetic organisms can adapt to changes in light intensities.

  1. Decay dynamics of neutral and charged excitonic complexes in single InAs/GaAs QDs

    International Nuclear Information System (INIS)

    Feucker, Max; Seguin, Robert; Rodt, Sven; Poetschke, Konstantin; Bimberg, Dieter

    2008-01-01

    Across the inhomogeneously broadened lineshape of a quantum dot (QD) ensemble the decay times are expected to vary since the wavefunctions and the oscillator strengths are sensitive to the actual geometry of the QD. We performed time-resolved cathodoluminescence spectroscopy of 26 different single InAs/GaAs QDs to investigate the decay dynamics of neutral and charged excitonic complexes. The largest decay rate was found for the XX + , followed by XX, X + and finally the X. We will show that the ratios of lifetimes of the different excitonic complexes are mainly governed by the number of involved recombination channels. There is excellent agreement between the measured and predicted values for the lifetime ratios of the neutral (X/XX) and the positively charged (X + /XX + ) complexes. Surprisingly the lifetime of the exciton (X) shows a much larger yet unexplained scatter than that of all the other complexes

  2. Enhanced photoluminescence from single nitrogen-vacancy defects in nanodiamonds coated with phenol-ionic complexes.

    Science.gov (United States)

    Bray, Kerem; Previdi, Rodolfo; Gibson, Brant C; Shimoni, Olga; Aharonovich, Igor

    2015-03-21

    Fluorescent nanodiamonds are attracting major attention in the field of bio-sensing and bio-labeling. In this work we demonstrate a robust approach to achieve an encapsulation of individual nanodiamonds with phenol-ionic complexes that enhance the photoluminescence from single nitrogen vacancy (NV) centers. We show that single NV centres in the coated nanodiamonds also exhibit shorter lifetimes, opening another channel for high resolution sensing. We propose that the nanodiamond encapsulation reduces the non-radiative decay pathways of the NV color centers. Our results provide a versatile and assessable way to enhance photoluminescence from nanodiamond defects that can be used in a variety of sensing and imaging applications.

  3. Promising results after single-stage reconstruction of the nipple and areola complex

    DEFF Research Database (Denmark)

    Børsen-Koch, Mikkel; Bille, Camilla; Thomsen, Jørn B

    2013-01-01

    Introduction: Reconstruction of the nipple-areola complex (NAC) traditionally marks the end of breast reconstruction. Several different surgical techniques have been described, but most are staged procedures. This paper describes a simple single-stage approach. Material and Methods: We used...... reconstruction was 43 min. (30-50 min.). Conclusion: This simple single-stage NAC reconstruction seems beneficial for both patient and surgeon as it seems to be associated with faster reconstruction and reduced procedure-related time without compromising the aesthetic outcome or the morbidity associated...

  4. Management optimization in Thermal complex through water reuse

    International Nuclear Information System (INIS)

    De Souza, S.; Manganelli, A.; Bertolotto, J.; Leys, P.; Garcia, B.

    2004-01-01

    Water reuse involves the concept of the exploitation of a previously used water, for a new, beneficial purpose. Actually, in Uruguay, thermal water is just utilised for balneological purposes, in this paper is proposed the water reuse taking the excess of used swimming pool water, and using it for heating and greenhouse irrigation, and australian lobster breeding. An important aspect of sustainable thermal water management is the protection of the exploted thermal water resources, so water reuse plays an important role in water resource, and ecosystem management, because it reduces the volume discharged and also reduces the risk of thermal pollution [es

  5. Single lipid vesicle assay for characterizing single-enzyme kinetics of phospholipid hydrolysis in a complex biological fluid.

    Science.gov (United States)

    Tabaei, Seyed R; Rabe, Michael; Zetterberg, Henrik; Zhdanov, Vladimir P; Höök, Fredrik

    2013-09-25

    Imaging of individual lipid vesicles is used to track single-enzyme kinetics of phospholipid hydrolysis. The method is employed to quantify the catalytic activity of phospholipase A2 (PLA2) in both pure and complex biological fluids. The measurements are demonstrated to offer a subpicomolar limit of detection (LOD) of human secretory PLA2 (sPLA2) in up to 1000-fold-diluted cerebrospinal fluid (CSF). An additional new feature provided by the single-enzyme sensitivity is that information about both relative concentration variations of active sPLA2 in CSF and the specific enzymatic activity can be simultaneously obtained. When CSF samples from healthy controls and individuals diagnosed with Alzheimer's disease (AD) are analyzed, the specific enzymatic activity is found to be preserved within 7% in the different CSF samples whereas the enzyme concentration differs by up to 56%. This suggests that the previously reported difference in PLA2 activity in CSF samples from healthy and AD individuals originates from differences in the PLA2 expression level rather than from the enzyme activity. Conventional ensemble averaging methods used to probe sPLA2 activity do not allow one to obtain such information. Together with an improvement in the LOD of at least 1 order of magnitude compared to that of conventional assays, this suggests that the method will become useful in furthering our understanding of the role of PLA2 in health and disease and in detecting the pharmacodynamic effects of PLA2-targeting drug candidates.

  6. Tetracoordinate Co(II) complexes containing bathocuproine and single molecule magnetism

    Czech Academy of Sciences Publication Activity Database

    Smolko, L.; Černák, J.; Dušek, Michal; Titiš, J.; Boča, R.

    2016-01-01

    Roč. 40, č. 8 (2016), s. 6593-6598 ISSN 1144-0546 R&D Projects: GA MŠk LO1603; GA ČR(CZ) GA15-12653S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : crystal structure * single molecule magnetism * Cu(II) complexes Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.269, year: 2016

  7. A Single-Cell Biochemistry Approach Reveals PAR Complex Dynamics during Cell Polarization.

    Science.gov (United States)

    Dickinson, Daniel J; Schwager, Francoise; Pintard, Lionel; Gotta, Monica; Goldstein, Bob

    2017-08-21

    Regulated protein-protein interactions are critical for cell signaling, differentiation, and development. For the study of dynamic regulation of protein interactions in vivo, there is a need for techniques that can yield time-resolved information and probe multiple protein binding partners simultaneously, using small amounts of starting material. Here we describe a single-cell protein interaction assay. Single-cell lysates are generated at defined time points and analyzed using single-molecule pull-down, yielding information about dynamic protein complex regulation in vivo. We established the utility of this approach by studying PAR polarity proteins, which mediate polarization of many animal cell types. We uncovered striking regulation of PAR complex composition and stoichiometry during Caenorhabditis elegans zygote polarization, which takes place in less than 20 min. PAR complex dynamics are linked to the cell cycle by Polo-like kinase 1 and govern the movement of PAR proteins to establish polarity. Our results demonstrate an approach to study dynamic biochemical events in vivo. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. Enhanced photoluminescence from single nitrogen-vacancy defects in nanodiamonds coated with phenol-ionic complexes

    Science.gov (United States)

    Bray, Kerem; Previdi, Rodolfo; Gibson, Brant C.; Shimoni, Olga; Aharonovich, Igor

    2015-03-01

    Fluorescent nanodiamonds are attracting major attention in the field of bio-sensing and bio-labeling. In this work we demonstrate a robust approach to achieve an encapsulation of individual nanodiamonds with phenol-ionic complexes that enhance the photoluminescence from single nitrogen vacancy (NV) centers. We show that single NV centres in the coated nanodiamonds also exhibit shorter lifetimes, opening another channel for high resolution sensing. We propose that the nanodiamond encapsulation reduces the non-radiative decay pathways of the NV color centers. Our results provide a versatile and assessable way to enhance photoluminescence from nanodiamond defects that can be used in a variety of sensing and imaging applications.Fluorescent nanodiamonds are attracting major attention in the field of bio-sensing and bio-labeling. In this work we demonstrate a robust approach to achieve an encapsulation of individual nanodiamonds with phenol-ionic complexes that enhance the photoluminescence from single nitrogen vacancy (NV) centers. We show that single NV centres in the coated nanodiamonds also exhibit shorter lifetimes, opening another channel for high resolution sensing. We propose that the nanodiamond encapsulation reduces the non-radiative decay pathways of the NV color centers. Our results provide a versatile and assessable way to enhance photoluminescence from nanodiamond defects that can be used in a variety of sensing and imaging applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr07510b

  9. Processing of complex shapes with single-mode resonant frequency microwave applicators

    International Nuclear Information System (INIS)

    Fellows, L.A.; Delgado, R.; Hawley, M.C.

    1994-01-01

    Microwave processing is an alternative to conventional composite processing techniques. Single-mode microwave applicators efficiently couple microwave energy into the composite. The application of the microwave energy is greatly affected by the geometry of the composite. In the single mode microwave applicator, two types of modes are available. These modes are best suited to processing flat planar samples or cylindrical samples with geometries that align with the electric fields. Mode-switching is alternating between different electromagnetic modes with the intelligent selection of the modes to alleviate undesirable temperature profiles. This method has improved the microwave heating profiles of materials with complex shapes that do not align with either type of electric field. Parts with two different complex geometries were fabricated from a vinyl toluene/vinyl ester resin with a continuous glass fiber reinforcement by autoclaving and by microwave techniques. The flexural properties of the microwave processed samples were compared to the flexural properties of autoclaved samples. The trends of the mechanical properties for the complex shapes were consistent with the results of experiments with flat panels. This demonstrated that mode-switching techniques are as applicable for the complex shapes as they are for the simpler flat panel geometry

  10. Single-shot parallel full range complex Fourier-domain optical coherence tomography

    International Nuclear Information System (INIS)

    Huang Bingjie; Bu Peng; Nan Nan; Wang Xiangzhao

    2011-01-01

    We present a method of parallel full range complex Fourier-domain optical coherence tomography (FDOCT) that is capable of acquiring an artifacts-free two-dimensional (2-D) cross-sectional image, i.e. a full range B-scan tomogram, by a single shot of 2-D CCD camera. This method is based on a spatial carrier technique, in which the spatial carrier-frequency is instantaneously introduced into the 2-D spectral interferogram registered in parallel FDOCT by using a grating-generated reference beam. The spatial-carrier-contained 2-D spectral interferogram is processed through Fourier transformation to obtain a complex 2-D spectral interferogram. From the 2-D complex spectral interferomgram, a full range B-scan tomogram is reconstructed. The principle of our method is confirmed by imaging an onion sample.

  11. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

    Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

  12. Sono-chemiluminescence from a single cavitation bubble in water

    International Nuclear Information System (INIS)

    Brotchie, Adam; Shchukin, Dmitry; Moehwald, Helmuth; Schneider, Julia; Pflieger, Rachel

    2012-01-01

    In summary, this study has revealed the conditions required for a single bubble to be sono-chemically active. Evidence of radical-induced processes surrounding the bubble was only observed below the SL threshold, where the bubble was not spatially stable, and did not correlate with emission from excited molecular states inside the bubble. Moreover, this work substantiates recent progress that has been made in bridging the gap between single and multi-bubble cavitation. (authors)

  13. Diethylenetriamine/diamines/copper (II complexes [Cu(dien(NN]Br2: Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

    Directory of Open Access Journals (Sweden)

    Fatima Abu Saleemh

    2017-09-01

    Full Text Available Two dicationic water soluble mixed triamine/diamine copper (II complexes, of general formula [Cu(dienNN]Br2 (1–2 [dien = diethelenetriamine and NN is en = ethylenediamine or Me4en = N,N′,N,N′-tetramethylethylenediamine] were prepared under ultrasonic mode with a relatively high yield. These complexes were characterized by elemental microanalysis, UV visible IR spectroscopy, and thermal and electrochemical techniques. In addition, complex 2 structure was solved by X-ray single crystal and Hirshfeld surface analysis. The complex exhibits a distorted square pyramidal coordination environment around Cu(II centre. The solvatochromism of the desired complexes was investigated in water and other suitable organic solvents. The results show that the Guttmann’s DN parameter values of the solvents have mainly contributed to the shift of the d–d absorption band towards the linear increase in the wavelength of the absorption maxima of the complexes. The complex 1 showed higher antibacterial activity against the studied microorganisms compared to complex 2. Both complexes revealed promising antibacterial activities.

  14. From isolated light-harvesting complexes to the thylakoid membrane: a single-molecule perspective

    Science.gov (United States)

    Gruber, J. Michael; Malý, Pavel; Krüger, Tjaart P. J.; Grondelle, Rienk van

    2018-01-01

    The conversion of solar radiation to chemical energy in plants and green algae takes place in the thylakoid membrane. This amphiphilic environment hosts a complex arrangement of light-harvesting pigment-protein complexes that absorb light and transfer the excitation energy to photochemically active reaction centers. This efficient light-harvesting capacity is moreover tightly regulated by a photoprotective mechanism called non-photochemical quenching to avoid the stress-induced destruction of the catalytic reaction center. In this review we provide an overview of single-molecule fluorescence measurements on plant light-harvesting complexes (LHCs) of varying sizes with the aim of bridging the gap between the smallest isolated complexes, which have been well-characterized, and the native photosystem. The smallest complexes contain only a small number (10-20) of interacting chlorophylls, while the native photosystem contains dozens of protein subunits and many hundreds of connected pigments. We discuss the functional significance of conformational dynamics, the lipid environment, and the structural arrangement of this fascinating nano-machinery. The described experimental results can be utilized to build mathematical-physical models in a bottom-up approach, which can then be tested on larger in vivo systems. The results also clearly showcase the general property of biological systems to utilize the same system properties for different purposes. In this case it is the regulated conformational flexibility that allows LHCs to switch between efficient light-harvesting and a photoprotective function.

  15. Resolving dual binding conformations of cellulosome cohesin-dockerin complexes using single-molecule force spectroscopy.

    Science.gov (United States)

    Jobst, Markus A; Milles, Lukas F; Schoeler, Constantin; Ott, Wolfgang; Fried, Daniel B; Bayer, Edward A; Gaub, Hermann E; Nash, Michael A

    2015-10-31

    Receptor-ligand pairs are ordinarily thought to interact through a lock and key mechanism, where a unique molecular conformation is formed upon binding. Contrary to this paradigm, cellulosomal cohesin-dockerin (Coh-Doc) pairs are believed to interact through redundant dual binding modes consisting of two distinct conformations. Here, we combined site-directed mutagenesis and single-molecule force spectroscopy (SMFS) to study the unbinding of Coh:Doc complexes under force. We designed Doc mutations to knock out each binding mode, and compared their single-molecule unfolding patterns as they were dissociated from Coh using an atomic force microscope (AFM) cantilever. Although average bulk measurements were unable to resolve the differences in Doc binding modes due to the similarity of the interactions, with a single-molecule method we were able to discriminate the two modes based on distinct differences in their mechanical properties. We conclude that under native conditions wild-type Doc from Clostridium thermocellum exocellulase Cel48S populates both binding modes with similar probabilities. Given the vast number of Doc domains with predicted dual binding modes across multiple bacterial species, our approach opens up new possibilities for understanding assembly and catalytic properties of a broad range of multi-enzyme complexes.

  16. First Indian single center experience with pipeline embolization device for complex intracranial aneurysms.

    Science.gov (United States)

    Cherian, Mathew P; Yadav, Manish Kumar; Mehta, Pankaj; Vijayan, K; Arulselvan, V; Jayabalan, Suresh

    2014-01-01

    Flow diversion is a novel method of therapy wherein an endoluminal sleeve, the flow diverter stent is placed across the neck of complex aneurysms to curatively reconstruct abnormal vasculature. We present the first Indian single center experience with the pipeline embolization device (PED) and 6 months follow-up results of 5 patients. Five complex or recurrent intracranial aneurysms in five patients were treated with PED. The patients were followed-up with magnetic resonance angiography (MRA) after 4 weeks and conventional angiography after 6 months. Feasibility, complications, clinical outcome, early 1-month MRA and 6 months conventional angiographic follow-up results were analyzed. Of the five aneurysms treated, four were in the anterior circulation and one in the posterior circulation. All five patients were treated with a single PED in each, and additionally coils were used in one patient. At 1-month MRA follow-up, complete occlusion was seen in 2 (40%) of the five cases. Post 6 months conventional angiography showed complete occlusion of the aneurysm sac in all five cases (100%). Side branch ostia were covered in three patients, all of which were patent (100%). There was no incidence of major neurological morbidity or mortality. One patient (20%) who had basilar top aneurysm experienced minor neurological disability after 5 days which partially improved. Pipeline embolization device for complex and recurrent aneurysms is technically feasible, safe, offers low complication rate, and definitive vascular reconstruction. PED can be used without fear of occlusion of covered eloquent side branches and perforators.

  17. Simple nonempirical calculations of the zero-field splitting in transition metal systems: I. The Ni(II)-water complexes

    International Nuclear Information System (INIS)

    Ribbing, C.; Odelius, M.; Laaksonen, A.; Kowalewski, J.; Roos, B.

    1990-01-01

    A simple nonempirical scheme is presented for calculating the splittings of ground state multiplets (the zero-field splitting) is transition metal complexes. The method employs single reference, single excitation CI calculations based on open-shell RHF. The spin-orbit coupling is described using an effective one-electron, one-center operators. The method is applied to the triplet state Ni(II) complexes with one to six water molecules. the validity of the second-order perturbation theory approach and of the spin-Hamiltonian formalism is found to be limited to slightly distorted octahedral systems. Generally, small changes in the geometries of the complexes are found to cause substantial variations of the splitting pattern

  18. Using continuous underway isotope measurements to map water residence time in hydrodynamically complex tidal environments

    Science.gov (United States)

    Downing, Bryan D.; Bergamaschi, Brian; Kendall, Carol; Kraus, Tamara; Dennis, Kate J.; Carter, Jeffery A.; von Dessonneck, Travis

    2016-01-01

    Stable isotopes present in water (δ2H, δ18O) have been used extensively to evaluate hydrological processes on the basis of parameters such as evaporation, precipitation, mixing, and residence time. In estuarine aquatic habitats, residence time (τ) is a major driver of biogeochemical processes, affecting trophic subsidies and conditions in fish-spawning habitats. But τ is highly variable in estuaries, owing to constant changes in river inflows, tides, wind, and water height, all of which combine to affect τ in unpredictable ways. It recently became feasible to measure δ2H and δ18O continuously, at a high sampling frequency (1 Hz), using diffusion sample introduction into a cavity ring-down spectrometer. To better understand the relationship of τ to biogeochemical processes in a dynamic estuarine system, we continuously measured δ2H and δ18O, nitrate and water quality parameters, on board a small, high-speed boat (5 to >10 m s–1) fitted with a hull-mounted underwater intake. We then calculated τ as is classically done using the isotopic signals of evaporation. The result was high-resolution (∼10 m) maps of residence time, nitrate, and other parameters that showed strong spatial gradients corresponding to geomorphic attributes of the different channels in the area. The mean measured value of τ was 30.5 d, with a range of 0–50 d. We used the measured spatial gradients in both τ and nitrate to calculate whole-ecosystem uptake rates, and the values ranged from 0.006 to 0.039 d–1. The capability to measure residence time over single tidal cycles in estuaries will be useful for evaluating and further understanding drivers of phytoplankton abundance, resolving differences attributable to mixing and water sources, explicitly calculating biogeochemical rates, and exploring the complex linkages among time-dependent biogeochemical processes in hydrodynamically complex environments such as estuaries.

  19. Unified analysis of ensemble and single-complex optical spectral data from light-harvesting complex-2 chromoproteins for gaining deeper insight into bacterial photosynthesis

    Science.gov (United States)

    Pajusalu, Mihkel; Kunz, Ralf; Rätsep, Margus; Timpmann, Kõu; Köhler, Jürgen; Freiberg, Arvi

    2015-11-01

    Bacterial light-harvesting pigment-protein complexes are very efficient at converting photons into excitons and transferring them to reaction centers, where the energy is stored in a chemical form. Optical properties of the complexes are known to change significantly in time and also vary from one complex to another; therefore, a detailed understanding of the variations on the level of single complexes and how they accumulate into effects that can be seen on the macroscopic scale is required. While experimental and theoretical methods exist to study the spectral properties of light-harvesting complexes on both individual complex and bulk ensemble levels, they have been developed largely independently of each other. To fill this gap, we simultaneously analyze experimental low-temperature single-complex and bulk ensemble optical spectra of the light-harvesting complex-2 (LH2) chromoproteins from the photosynthetic bacterium Rhodopseudomonas acidophila in order to find a unique theoretical model consistent with both experimental situations. The model, which satisfies most of the observations, combines strong exciton-phonon coupling with significant disorder, characteristic of the proteins. We establish a detailed disorder model that, in addition to containing a C2-symmetrical modulation of the site energies, distinguishes between static intercomplex and slow conformational intracomplex disorders. The model evaluations also verify that, despite best efforts, the single-LH2-complex measurements performed so far may be biased toward complexes with higher Huang-Rhys factors.

  20. Free radical homopolymerization of a vinylferrocene/cyclodextrin complex in water

    Directory of Open Access Journals (Sweden)

    Helmut Ritter

    2010-06-01

    Full Text Available We report the radical initiated homopolymerization of a soluble vinylferrocene cyclodextrin-complex in water. Uncomplexed vinylferrocene 1 and the corresponding homopolymer are hydrophobic and completely insoluble in water. Complexation of 1 with methyl-β-cyclodextrin 2 results in clearly water-soluble structures due to incorporation of the ferrocene moiety into the cyclodextrin cavity. After free radical polymerization of the water-soluble complexed monomer, corresponding to polyvinylferrocene (PVFc, the water-soluble polymer is obtained due to the host guest interactions. Those polymeric complexes are stable in water up to about 90 °C. Above this temperature the polymer precipitates due to decomplexation. The complex was investigated by 1H NMR spectrometry, dynamic light scattering (DLS, differential scanning calorimetry (DSC, and lower critical solution temperature (LCST measurements.

  1. Spin-polarized transport through single-molecule magnet Mn6 complexes

    KAUST Repository

    Cremades, Eduard; Pemmaraju, C. D.; Sanvito, Stefano; Ruiz, Eliseo

    2013-01-01

    The coherent transport properties of a device, constructed by sandwiching a Mn6 single-molecule magnet between two gold surfaces, are studied theoretically by using the non-equilibrium Green's function approach combined with density functional theory. Two spin states of such Mn6 complexes are explored, namely the ferromagnetically coupled configuration of the six MnIII cations, leading to the S = 12 ground state, and the low S = 4 spin state. For voltages up to 1 volt the S = 12 ground state shows a current one order of magnitude larger than that of the S = 4 state. Furthermore this is almost completely spin-polarized, since the Mn6 frontier molecular orbitals for S = 12 belong to the same spin manifold. As such the high-anisotropy Mn6 molecule appears as a promising candidate for implementing, at the single molecular level, both spin-switches and low-temperature spin-valves. © 2013 The Royal Society of Chemistry.

  2. Electrical manipulation of spin states in a single electrostatically gated transition-metal complex

    DEFF Research Database (Denmark)

    Osorio, Edgar A; Moth-Poulsen, Kasper; van der Zant, Herre S J

    2010-01-01

    -field on the Mn-atom. Adding a single electron thus stabilizes the low-spin configuration and the corresponding sequential tunnelling current is suppressed by spin-blockade. From low-temperature inelastic cotunneling spectroscopy, we infer the magnetic excitation spectrum of the molecule and uncover also...... a strongly gate-dependent singlet-triplet splitting on the low-spin side. The measured bias-spectroscopy is shown to be consistent with an exact diagonalization of the Mn-complex, and an interpretation of the data is given in terms of a simplified effective model....

  3. Direct measurement and modulation of single-molecule coordinative bonding forces in a transition metal complex

    DEFF Research Database (Denmark)

    Hao, Xian; Zhu, Nan; Gschneidtner, Tina

    2013-01-01

    remain a daunting challenge. Here we demonstrate an interdisciplinary and systematic approach that enables measurement and modulation of the coordinative bonding forces in a transition metal complex. Terpyridine is derived with a thiol linker, facilitating covalent attachment of this ligand on both gold...... substrate surfaces and gold-coated atomic force microscopy tips. The coordination and bond breaking between terpyridine and osmium are followed in situ by electrochemically controlled atomic force microscopy at the single-molecule level. The redox state of the central metal atom is found to have...

  4. Hydrogen-related complexes in Li-diffused ZnO single crystals

    Science.gov (United States)

    Corolewski, Caleb D.; Parmar, Narendra S.; Lynn, Kelvin G.; McCluskey, Matthew D.

    2016-07-01

    Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li2O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>1019 cm-3). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm-1, attributed to surface O-H species. When Li2CO3 is used, a structured blue luminescence band and O-H mode at 3327 cm-1 are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy-hydrogen complex, with an acceptor level ˜0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.

  5. Hydrogen-related complexes in Li-diffused ZnO single crystals

    International Nuclear Information System (INIS)

    Corolewski, Caleb D.; Parmar, Narendra S.; Lynn, Kelvin G.; McCluskey, Matthew D.

    2016-01-01

    Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li_2O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10"1"9" cm"−"3). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm"−"1, attributed to surface O-H species. When Li_2CO_3 is used, a structured blue luminescence band and O-H mode at 3327 cm"−"1 are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level ∼0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.

  6. Hydrogen-related complexes in Li-diffused ZnO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Corolewski, Caleb D. [Materials Science and Engineering Program, Washington State University, Pullman, Washington 99164-2814 (United States); Parmar, Narendra S.; Lynn, Kelvin G. [Center for Materials Research, Washington State University, Pullman, Washington 99164-2814 (United States); McCluskey, Matthew D., E-mail: mattmcc@wsu.edu [Materials Science and Engineering Program, Washington State University, Pullman, Washington 99164-2814 (United States); Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814 (United States)

    2016-07-21

    Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li{sub 2}O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10{sup 19 }cm{sup −3}). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm{sup −1}, attributed to surface O-H species. When Li{sub 2}CO{sub 3} is used, a structured blue luminescence band and O-H mode at 3327 cm{sup −1} are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level ∼0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.

  7. Synthesis and Characterization of Hexahapto-Chromium Complexes of Single-Walled Carbon Nanotubes

    KAUST Repository

    Kalinina, Irina

    2016-12-17

    This chapter employs purified pristine single-walled carbon nanotubes (SWNTs) and octadecylaminefunctionalized-SWNTs. These SWNTs are employed for investigate the potential of the SWNT sidewall to function as a hexahapto ligand for chromium (Cr), with in-depth characterization of the products using some of the techniques, such as thermogravimetric analysis (TGA), transmission electron microscopy (TEM), x-ray photoelectron spectroscopy (XPS). Purified electric arc (EA)-produced SWNTs (P2-SWNT) and octadecylaminefunctionalized SWNTs were obtained from Carbon Solutions, Inc. The TEM images show the removal of the Cr particles from the outer surface of the SWNT bundles in the SWNT-Cr complexes after decomplexation; Cr attachment to the surface of the as-prepared complexes (η6-SWNT)Cr(CO)3 and (η6-SWNT-CONH(CH2)17CH3)Cr(CO)3 is clearly evident. The positions of the bands in the Raman spectra of SWNTs are sensitive to doping and thus the chapter examines the effect of complexation of the Cr(CO)3 and Cr(η6-benzene) units on the position of the G and 2D bands in the (η6-SWNT)Cr(CO)3 and (η6-SWNT)Cr(η6-benzene) complexes.

  8. Network structure and institutional complexity in an ecology of water management games

    Directory of Open Access Journals (Sweden)

    Mark Lubell

    2014-12-01

    Full Text Available Social-ecological systems are governed by a complex of ecology of games featuring multiple actors, policy institutions, and issues, and not just single institutions operating in isolation. We update Long's (1958 ecology of games to analyze the coordinating roles of actors and institutions in the context of the ecology of water management games in San Francisco Bay, California. The ecology of games is operationalized as a bipartite network with actors participating in institutions, and exponential random graph models are used to test hypotheses about the structural features of the network. We found that policy coordination is facilitated mostly by federal and state agencies and collaborative institutions that span geographic boundaries. Network configurations associated with closure show the most significant departures from the predicted model values, consistent with the Berardo and Scholz (2010 "risk hypothesis" that closure is important for solving cooperation problems.

  9. The Hydraulic Jump: Finding Complexity in Turbulent Water

    Science.gov (United States)

    Vondracek, Mark

    2013-01-01

    Students who do not progress to more advanced science disciplines in college generally do not realize that seemingly simple physical systems are--when studied in detail--more complex than one might imagine. This article presents one such phenomenon--the hydraulic jump--as a way to help students see the complexity behind the seemingly simple, and…

  10. Small-angle neutron scattering studies on water soluble complexes ...

    Indian Academy of Sciences (India)

    ... by small-angle neutron scattering. SANS data showed a positive indication of the formation of RCP-SDS complexes. Even though the complete structure of the polyion complexes could not be ascertained, the results obtained give us the information on the local structure in these polymer-surfactant systems. The data were ...

  11. Water structure near single and multi-layer nanoscopic hydrophobic ...

    Indian Academy of Sciences (India)

    Wintec

    We have performed a series of molecular dynamics simulations of water containing two nano- scopic hydrophobic ..... the simulation for l00 ps for equilibration during which ... was further run for a production phase of 100–200 ps depending on ...

  12. Design of Water Temperature Control System Based on Single Chip Microcomputer

    Science.gov (United States)

    Tan, Hanhong; Yan, Qiyan

    2017-12-01

    In this paper, we mainly introduce a multi-function water temperature controller designed with 51 single-chip microcomputer. This controller has automatic and manual water, set the water temperature, real-time display of water and temperature and alarm function, and has a simple structure, high reliability, low cost. The current water temperature controller on the market basically use bimetal temperature control, temperature control accuracy is low, poor reliability, a single function. With the development of microelectronics technology, monolithic microprocessor function is increasing, the price is low, in all aspects of widely used. In the water temperature controller in the application of single-chip, with a simple design, high reliability, easy to expand the advantages of the function. Is based on the appeal background, so this paper focuses on the temperature controller in the intelligent control of the discussion.

  13. Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

    Directory of Open Access Journals (Sweden)

    Wen Yu

    2016-01-01

    Full Text Available A series of 2,2’-bipyrimidine-bridged dinuclear lanthanide complexes with the general formula [Ln(tmhd3]2bpm (tmhd = 2,2,6,6-tetramethyl-3,5-heptanedionate, bpm = 2,2’-bipyrimidine, Ln = Gd(III, 1; Tb(III, 2; Dy(III, 3; Ho(III, 4 and Er(III, 5 has been synthesized and characterized. Sublimation of [Tb(tmhd3]2bpm onto a Au(111 surface leads to the formation of a homogeneous film with hexagonal pattern, which was studied by scanning tunneling microscopy (STM. The bulk magnetic properties of all complexes have been studied comprehensively. The dynamic magnetic behavior of the Dy(III and Er(III compounds clearly exhibits single molecule magnet (SMM characteristics with an energy barrier of 97 and 25 K, respectively. Moreover, micro-SQUID measurements on single crystals confirm their SMM behavior with the presence of hysteresis loops.

  14. Resolving the Complexity of Human Skin Metagenomes Using Single-Molecule Sequencing

    Directory of Open Access Journals (Sweden)

    Yu-Chih Tsai

    2016-02-01

    Full Text Available Deep metagenomic shotgun sequencing has emerged as a powerful tool to interrogate composition and function of complex microbial communities. Computational approaches to assemble genome fragments have been demonstrated to be an effective tool for de novo reconstruction of genomes from these communities. However, the resultant “genomes” are typically fragmented and incomplete due to the limited ability of short-read sequence data to assemble complex or low-coverage regions. Here, we use single-molecule, real-time (SMRT sequencing to reconstruct a high-quality, closed genome of a previously uncharacterized Corynebacterium simulans and its companion bacteriophage from a skin metagenomic sample. Considerable improvement in assembly quality occurs in hybrid approaches incorporating short-read data, with even relatively small amounts of long-read data being sufficient to improve metagenome reconstruction. Using short-read data to evaluate strain variation of this C. simulans in its skin community at single-nucleotide resolution, we observed a dominant C. simulans strain with moderate allelic heterozygosity throughout the population. We demonstrate the utility of SMRT sequencing and hybrid approaches in metagenome quantitation, reconstruction, and annotation.

  15. Resolving the Complexity of Human Skin Metagenomes Using Single-Molecule Sequencing

    Science.gov (United States)

    Tsai, Yu-Chih; Deming, Clayton; Segre, Julia A.; Kong, Heidi H.; Korlach, Jonas

    2016-01-01

    ABSTRACT Deep metagenomic shotgun sequencing has emerged as a powerful tool to interrogate composition and function of complex microbial communities. Computational approaches to assemble genome fragments have been demonstrated to be an effective tool for de novo reconstruction of genomes from these communities. However, the resultant “genomes” are typically fragmented and incomplete due to the limited ability of short-read sequence data to assemble complex or low-coverage regions. Here, we use single-molecule, real-time (SMRT) sequencing to reconstruct a high-quality, closed genome of a previously uncharacterized Corynebacterium simulans and its companion bacteriophage from a skin metagenomic sample. Considerable improvement in assembly quality occurs in hybrid approaches incorporating short-read data, with even relatively small amounts of long-read data being sufficient to improve metagenome reconstruction. Using short-read data to evaluate strain variation of this C. simulans in its skin community at single-nucleotide resolution, we observed a dominant C. simulans strain with moderate allelic heterozygosity throughout the population. We demonstrate the utility of SMRT sequencing and hybrid approaches in metagenome quantitation, reconstruction, and annotation. PMID:26861018

  16. Contact angle of water droplet on apatite single crystals

    International Nuclear Information System (INIS)

    Suzuki, Takaomi; Hirose, Go; Oishi, Shuji

    2004-01-01

    Contact angles of water droplets on well-formed crystals of strontium and barium chlorapatites, Sr 5 Cl(PO 4 ) 3 and Ba 5 Cl(PO 4 ) 3 , were observed. The contact angles of water on (1 0 1-bar 0) and (1 0 1-bar 1) faces of Sr 5 Cl(PO 4 ) 3 were 74±8 deg. and 53±5 deg. and those on (1 0 1-bar 0) and (1 0 1-bar 1) faces of Ba 5 Cl(PO 4 ) 3 were 52±5 deg. and 33±1 deg., respectively. The surface tensions of the crystals were calculated using Neumann's equation. They were 39.2±50 and 52.0±3.0 mJ m -2 for (1 0 1-bar 0) and (1 0 1-bar 1) faces of Sr 5 Cl(PO 4 ) 3 , 52.5±2.9 and 63.0±0.5 mJ m -2 for (1 0 1-bar 0) and (1 0 1-bar 1) faces of Ba 5 Cl(PO 4 ) 3 , respectively. The (1 0 1-bar 1) face has larger surface tension than (1 0 1-bar 0) face for both crystals. The chlorapatite crystals have tendency to elongate in directions during the crystal growth process, indicating that (1 0 1-bar 0) face is more stable than (1 0 1-bar 1) face. This nature of crystal morphology is consistent with the surface tensions estimated from the water contact angles. The higher density of Ba 5 Cl(PO 4 ) 3 than Sr 5 Cl(PO 4 ) 3 is considered to cause the smaller contact angles of water droplet on Ba 5 Cl(PO 4 ) 3 crystal than that on Sr 5 Cl(PO 4 ) 3 crystal because the attractive force between the heavier atoms brings the larger surface tension of solid

  17. Lower extremity fatigue increases complexity of postural control during a single-legged stance

    Directory of Open Access Journals (Sweden)

    Bailey Jerry J

    2011-08-01

    Full Text Available Abstract Background Non-linear approaches to assessment of postural control can provide insight that compliment linear approaches. Control entropy (CE is a recently developed statistical tool from non-linear dynamical systems used to assess the complexity of non-stationary signals. We have previously used CE of high resolution accelerometry in running to show decreased complexity with exhaustive exercise. The purpose of this study was to determine if complexity of postural control decreases following fatiguing exercise using CE. Methods Ten subjects (5 M/5 F; 25 ± 3 yr; 169.4 ± 11.7 cm; 79.0 ± 16.9 kg consented to participation approved by Western Oregon University IRB and completed two trials separated by 2-7 days. Trials consisted of two single-legged balance tests separated by two Wingate anaerobic tests (WAnT; PreFat/PostFat, or rest period (PreRest/PostRest. Balance tests consisted of a series of five single-legged stances, separated by 30 s rest, performed while standing on the dominant leg for 15-s with the participant crossing the arms over the chest and flexing the non-dominant knee to 90 degrees. High resolution accelerometers (HRA were fixed superficial to L3/L4 at the approximate center of mass (COM. Triaxial signals from the HRA were streamed in real time at 625 Hz. COM accelerations were recorded in g's for vertical (VT, medial/lateral (ML, and anterior/posterior (AP axes. A newly developed statistic (R-test was applied to group response shapes generated by Karhunen Loeve (KL transform modes resulting from Control Entropy (CE analysis. Results R-tests showed a significant mean vector difference (p p p p Conclusions These data indicate that fatiguing exercise eliminates the differential complexity response between axes, but increases complexity in all axes compared to the non-fatigued condition. This has implications with regard to the effects of fatigue on strategies of the control system to maintain postural control.

  18. Complex network analysis in inclined oil–water two-phase flow

    International Nuclear Information System (INIS)

    Zhong-Ke, Gao; Ning-De, Jin

    2009-01-01

    Complex networks have established themselves in recent years as being particularly suitable and flexible for representing and modelling many complex natural and artificial systems. Oil–water two-phase flow is one of the most complex systems. In this paper, we use complex networks to study the inclined oil–water two-phase flow. Two different complex network construction methods are proposed to build two types of networks, i.e. the flow pattern complex network (FPCN) and fluid dynamic complex network (FDCN). Through detecting the community structure of FPCN by the community-detection algorithm based on K-means clustering, useful and interesting results are found which can be used for identifying three inclined oil–water flow patterns. To investigate the dynamic characteristics of the inclined oil–water two-phase flow, we construct 48 FDCNs under different flow conditions, and find that the power-law exponent and the network information entropy, which are sensitive to the flow pattern transition, can both characterize the nonlinear dynamics of the inclined oil–water two-phase flow. In this paper, from a new perspective, we not only introduce a complex network theory into the study of the oil–water two-phase flow but also indicate that the complex network may be a powerful tool for exploring nonlinear time series in practice. (general)

  19. Distribution of Complex Chemicals in Oil-Water Systems

    DEFF Research Database (Denmark)

    Riaz, Muhammad

    condensates, MEG and water has been measured in the temperature range of 275-326 K at atmospheric pressure. The detailed composition of condensates is measured by GC analysis and 85 components are identified up to n-nonane and hundreds of ill-defined components in decane plus fraction. In order to develop...... and tested for such measurements. The mutual solubility of two North Sea condensates, MEG and water has been measured in the temperature range of 275-326 K at atmospheric pressure. The detailed composition of condensates is measured by GC analysis and 85 components are identified up to n-nonane and hundreds...... the mutual solubility of condensate/oil, MEG and water is predicted satisfactorily using the same average kij for MEG-HC pairs and water-HC kij from a generalized correlation as a function of carbon number. The experimental trends in mutual solubility as a function of temperature and MEG content in polar...

  20. Performance of single cylinder, direct injection Diesel engine using water fuel emulsions

    International Nuclear Information System (INIS)

    Abu-Zaid, M.

    2004-01-01

    A single cylinder Diesel engine study of water-in-Diesel emulsions was conducted to investigate the effect of water emulsification on the engine performance and gases exhaust temperature. Emulsified Diesel fuels of 0, 5, 10, 15 and 20 water/Diesel ratios by volume, were used in a single cylinder, direct injection Diesel engine, operating at 1200-3300 rpm. The results indicate that the addition of water in the form of emulsion improves combustion efficiency. The engine torque, power and brake thermal efficiency increase as the water percentage in the emulsion increases. The average increase in the brake thermal efficiency for 20% water emulsion is approximately 3.5% over the use of Diesel for the engine speed range studied. The proper brake specific fuel consumption and gases exhaust temperature decrease as the percentage of water in the emulsion increases

  1. Supramolecularly assembled water layers stabilized by sebacic anions in complexes of Zn(II) and Co(II)

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Two three-dimensional supramolecular water architectures,[Zn(phen)3]2 ·[Zn(C10H16O4)·(H2O)3]·(C10H16O4)2·20H2O(1) and [Co(phen)3]2 ·[Co(H2O)6]·(C10H16O4)3·30H2O(2)[phen=1,10-Phenanthroline,C10H16O4=sebacic dianion],have been synthesized and characterized by IR,elemental analysis,thermogravimetric analysis,and single-crystal X-ray diffractions.The two structures both contain extensive hydrogen bonding between water molecules as well as between water molecules and sebacic anions.The water molecules and sebacic acid O atoms assembled 2D supramolecular corrugated sheets with different morphology in the two complexes.

  2. [Complex technology for water and wastewater disinfection and its industrial realization in prototype unit].

    Science.gov (United States)

    Arakcheev, E N; Brunman, V E; Brunman, M V; Konyashin, A V; Dyachenko, V A; Petkova, A P

    Usage of complex automated electrolysis unit for drinking water disinfection and wastewater oxidation and coagulation is scoped, its ecological and energy efficiency is shown. Properties of technological process of anolyte production using membrane electrolysis of brine for water disinfection in municipal pipelines and potassium ferrate production using electrochemical dissolution of iron anode in NaOH solution for usage in purification plants are listed. Construction of modules of industrial prototype for anolyte and ferrate production and applied aspects of automation of complex electrolysis unit are proved. Results of approbation of electrolytic potassium ferrate for drinking water disinfection and wastewater, rain water and environmental water oxidation and coagulation are shown.

  3. Genetic and biochemical identification of a novel single-stranded DNA binding complex in Haloferax volcanii

    Directory of Open Access Journals (Sweden)

    Amy eStroud

    2012-06-01

    Full Text Available Single-stranded DNA binding proteins play an essential role in DNA replication and repair. They use oligosaccharide-binding folds, a five-stranded ß-sheet coiled into a closed barrel, to bind to single-stranded DNA thereby protecting and stabilizing the DNA. In eukaryotes the single-stranded DNA binding protein is known as replication protein A (RPA and consists of three distinct subunits that function as a heterotrimer. The bacterial homolog is termed single-stranded DNA-binding protein (SSB and functions as a homotetramer. In the archaeon Haloferax volcanii there are three genes encoding homologs of RPA. Two of the rpa genes (rpa1 and rpa3 exist in operons with a novel gene specific to Euryarchaeota, this gene encodes a protein that we have termed rpa-associated protein (RPAP. The rpap genes encode proteins belonging to COG3390 group and feature oligosaccharide-binding folds, suggesting that they might cooperate with RPA in binding to single-stranded DNA. Our genetic analysis showed that rpa1 and rpa3 deletion mutants have differing phenotypes; only ∆rpa3 strains are hypersensitive to DNA damaging agents. Deletion of the rpa3-associated gene rpap3 led to similar levels of DNA damage sensitivity, as did deletion of the rpa3 operon, suggesting that RPA3 and RPAP3 function in the same pathway. Protein pull-downs involving recombinant hexahistidine-tagged RPAs showed that RPA3 co-purifies with RPAP3, and RPA1 co-purifies with RPAP1. This indicates that the RPAs interact only with their respective associated proteins; this was corroborated by the inability to construct rpa1 rpap3 and rpa3 rpap1 double mutants. This is the first report investigating the individual function of the archaeal COG3390 RPA-associated proteins. We have shown genetically and biochemically that the RPAPs interact with their respective RPAs, and have uncovered a novel single-stranded DNA binding complex that is unique to Euryarchaeota.

  4. Advanced Materials, Technologies, and Complex Systems Analyses: Emerging Opportunities to Enhance Urban Water Security.

    Science.gov (United States)

    Zodrow, Katherine R; Li, Qilin; Buono, Regina M; Chen, Wei; Daigger, Glen; Dueñas-Osorio, Leonardo; Elimelech, Menachem; Huang, Xia; Jiang, Guibin; Kim, Jae-Hong; Logan, Bruce E; Sedlak, David L; Westerhoff, Paul; Alvarez, Pedro J J

    2017-09-19

    Innovation in urban water systems is required to address the increasing demand for clean water due to population growth and aggravated water stress caused by water pollution, aging infrastructure, and climate change. Advances in materials science, modular water treatment technologies, and complex systems analyses, coupled with the drive to minimize the energy and environmental footprints of cities, provide new opportunities to ensure a resilient and safe water supply. We present a vision for enhancing efficiency and resiliency of urban water systems and discuss approaches and research needs for overcoming associated implementation challenges.

  5. Single and double long pulse laser ablation of aluminum induced in air and water ambient

    International Nuclear Information System (INIS)

    Akbari Jafarabadi, Marzieh; Mahdieh, Mohammad Hossein

    2017-01-01

    Highlights: • Laser ablation of aluminum target by single and double pulse (∼ 5 ns delay) in ambient air and distilled water • Comparing with air, in ambient water, plasma confinement results in higher crater depth. • In comparison with single pulse laser ablation, the absorption of the laser pulse energy is higher for double pulse regime. • As a result of ablated material expansion, the crater depth is decreased if the target is placed at lower depth. - Abstract: In this paper, single pulse and double pulse laser ablation of an aluminum target in two interaction ambient was investigated experimentally. The interaction was performed by nanosecond Nd:YAG laser beam in air and four depths (i.e. 9, 13, 17, and 21 mm) of distilled water ambient. The irradiation was carried out in single and collinear double pulse configurations in both air and liquid ambient. Crater geometry (depth and diameter) was measured by an optical microscope. The results indicated that the crater geometry strongly depends on both single pulse and double pulse configurations and interaction ambient. In single pulse regime, the crater diameter is higher for all water depths compared to that of air. However, the crater depth, depend on water depth, is higher or lower than the crater depth in air. In double pulse laser ablation, there are greater values for both crater diameters and crater depths in the water.

  6. Thermodynamic Study of Water Activity of Single Strong Electrolytes

    Directory of Open Access Journals (Sweden)

    Seyed Hossein Hashemi

    2017-06-01

    Full Text Available Today, due to the natural decline of oil exploitation, the use of methods of oil recovery, has made significant progress. However, these methods are accompanied by accumulation and deposition of mineral deposits in oil field installations. In the present study, aqueous solutions, strontium sulfate, barium sulfate, manganese sulfate and nickel sulfate are studied, in terms of EUNIQUAC model and genetic algorithms. Based on the findings of this article, as temperature increases, in order to increase the solubility of the system, the ionic strength decreases; but with increasing pressure, the solubility of barium sulfate increases. Meanwhile, in this article, to evaluate water activity, aqueous solutions of manganese sulfate and nickel sulfate is studied.

  7. Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework.

    Science.gov (United States)

    Das, Biswanath; Lee, Bao-Lin; Karlsson, Erik A; Åkermark, Torbjörn; Shatskiy, Andrey; Demeshko, Serhiy; Liao, Rong-Zhen; Laine, Tanja M; Haukka, Matti; Zeglio, Erica; Abdel-Magied, Ahmed F; Siegbahn, Per E M; Meyer, Franc; Kärkäs, Markus D; Johnston, Eric V; Nordlander, Ebbe; Åkermark, Björn

    2016-09-14

    The synthesis of two molecular iron complexes, a dinuclear iron(iii,iii) complex and a nonanuclear iron complex, based on the dinucleating ligand 2,2'-(2-hydroxy-5-methyl-1,3-phenylene)bis(1H-benzo[d]imidazole-4-carboxylic acid) is described. The two iron complexes were found to drive the oxidation of water by the one-electron oxidant [Ru(bpy)3](3+).

  8. Max-Min SINR in Large-Scale Single-Cell MU-MIMO: Asymptotic Analysis and Low Complexity Transceivers

    KAUST Repository

    Sifaou, Houssem; Kammoun, Abla; Sanguinetti, Luca; Debbah, Merouane; Alouini, Mohamed-Slim

    2016-01-01

    This work focuses on the downlink and uplink of large-scale single-cell MU-MIMO systems in which the base station (BS) endowed with M antennas communicates with K single-antenna user equipments (UEs). Particularly, we aim at reducing the complexity

  9. Computational study of formamide-water complexes using the SAPT and AIM methods

    International Nuclear Information System (INIS)

    Parreira, Renato L.T.; Valdes, Haydee; Galembeck, Sergio E.

    2006-01-01

    In this work, the complexes formed between formamide and water were studied by means of the SAPT and AIM methods. Complexation leads to significant alterations in the geometries and electronic structure of formamide. Intermolecular interactions in the complexes are intense, especially in the cases where the solvent interacts with the carbonyl and amide groups simultaneously. In the transition states, the interaction between the water molecule and the lone pair on the amide nitrogen is also important. In all the complexes studied herein, the electrostatic interactions between formamide and water are the main attractive force, and their contribution may be five times as large as the corresponding contribution from dispersion, and twice as large as the contribution from induction. However, an increase in the resonance of planar formamide with the successive addition of water molecules may suggest that the hydrogen bonds taking place between formamide and water have some covalent character

  10. Therapeutic Assessment of Complex Trauma: A Single-Case Time-Series Study.

    Science.gov (United States)

    Tarocchi, Anna; Aschieri, Filippo; Fantini, Francesca; Smith, Justin D

    2013-06-01

    The cumulative effect of repeated traumatic experiences in early childhood incrementally increases the risk of adjustment problems later in life. Surviving traumatic environments can lead to the development of an interrelated constellation of emotional and interpersonal symptoms termed complex posttraumatic stress disorder (CPTSD). Effective treatment of trauma begins with a multimethod psychological assessment and requires the use of several evidence-based therapeutic processes, including establishing a safe therapeutic environment, reprocessing the trauma, constructing a new narrative, and managing emotional dysregulation. Therapeutic Assessment (TA) is a semistructured, brief intervention that uses psychological testing to promote positive change. The case study of Kelly, a middle-aged woman with a history of repeated interpersonal trauma, illustrates delivery of the TA model for CPTSD. Results of this single-case time-series experiment indicate statistically significant symptom improvement as a result of participating in TA. We discuss the implications of these findings for assessing and treating trauma-related concerns, such as CPTSD.

  11. Cp2 TiX Complexes for Sustainable Catalysis in Single-Electron Steps.

    Science.gov (United States)

    Richrath, Ruben B; Olyschläger, Theresa; Hildebrandt, Sven; Enny, Daniel G; Fianu, Godfred D; Flowers, Robert A; Gansäuer, Andreas

    2018-04-25

    We present a combined electrochemical, kinetic, and synthetic study with a novel and easily accessible class of titanocene catalysts for catalysis in single-electron steps. The tailoring of the electronic properties of our Cp 2 TiX-catalysts that are prepared in situ from readily available Cp 2 TiX 2 is achieved by varying the anionic ligand X. Of the complexes investigated, Cp 2 TiOMs proved to be either equal or substantially superior to the best catalysts developed earlier. The kinetic and thermodynamic properties pertinent to catalysis have been determined. They allow a mechanistic understanding of the subtle interplay of properties required for an efficient oxidative addition and reduction. Therefore, our study highlights that efficient catalysts do not require the elaborate covalent modification of the cyclopentadienyl ligands. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Complex cooling water systems optimization with pressure drop consideration

    CSIR Research Space (South Africa)

    Gololo, KV

    2012-12-01

    Full Text Available Pressure drop consideration has shown to be an essential requirement for the synthesis of a cooling water network where reuse/recycle philosophy is employed. This is due to an increased network pressure drop associated with additional reuse...

  13. Mechanism of Water Oxidation Catalyzed by a Dinuclear Ruthenium Complex Bridged by Anthraquinone

    Directory of Open Access Journals (Sweden)

    Tohru Wada

    2017-02-01

    Full Text Available We synthesized 1,8-bis(2,2′:6′,2″-terpyrid-4′-ylanthraquinone (btpyaq as a new dimerizing ligand and determined its single crystal structure by X-ray analysis. The dinuclear Ruthenium complex [Ru2(µ-Cl(bpy2(btpyaq](BF43 ([3](BF43, bpy = 2,2′-bipyridine was used as a catalyst for water oxidation to oxygen with (NH42[Ce(NO36] as the oxidant (turnover numbers = 248. The initial reaction rate of oxygen evolution was directly proportional to the concentration of the catalyst and independent of the oxidant concentration. The cyclic voltammogram of [3](BF43 in water at pH 1.3 showed an irreversible catalytic current above +1.6 V (vs. SCE, with two quasi-reversible waves and one irreversible wave at E1/2 = +0.62, +0.82 V, and Epa = +1.13 V, respectively. UV-vis and Raman spectra of [3](BF43 with controlled-potential electrolysis at +1.40 V revealed that [Ru(IV=O O=Ru(IV]4+ is stable under electrolysis conditions. [Ru(III, Ru(II] species are recovered after dissociation of an oxygen molecule from the active species in the catalytic cycle. These results clearly indicate that an O–O bond is formed via [Ru(V=O O=Ru(IV]5+.

  14. Molding acoustic, electromagnetic and water waves with a single cloak

    KAUST Repository

    Xu, Jun

    2015-06-09

    We describe two experiments demonstrating that a cylindrical cloak formerly introduced for linear surface liquid waves works equally well for sound and electromagnetic waves. This structured cloak behaves like an acoustic cloak with an effective anisotropic density and an electromagnetic cloak with an effective anisotropic permittivity, respectively. Measured forward scattering for pressure and magnetic fields are in good agreement and provide first evidence of broadband cloaking. Microwave experiments and 3D electromagnetic wave simulations further confirm reduced forward and backscattering when a rectangular metallic obstacle is surrounded by the structured cloak for cloaking frequencies between 2.6 and 7.0 GHz. This suggests, as supported by 2D finite element simulations, sound waves are cloaked between 3 and 8 KHz and linear surface liquid waves between 5 and 16 Hz. Moreover, microwave experiments show the field is reduced by 10 to 30 dB inside the invisibility region, which suggests the multi-wave cloak could be used as a protection against water, sonic or microwaves. © 2015, Nature Publishing Group. All rights reserved.

  15. Molding acoustic, electromagnetic and water waves with a single cloak.

    Science.gov (United States)

    Xu, Jun; Jiang, Xu; Fang, Nicholas; Georget, Elodie; Abdeddaim, Redha; Geffrin, Jean-Michel; Farhat, Mohamed; Sabouroux, Pierre; Enoch, Stefan; Guenneau, Sébastien

    2015-06-09

    We describe two experiments demonstrating that a cylindrical cloak formerly introduced for linear surface liquid waves works equally well for sound and electromagnetic waves. This structured cloak behaves like an acoustic cloak with an effective anisotropic density and an electromagnetic cloak with an effective anisotropic permittivity, respectively. Measured forward scattering for pressure and magnetic fields are in good agreement and provide first evidence of broadband cloaking. Microwave experiments and 3D electromagnetic wave simulations further confirm reduced forward and backscattering when a rectangular metallic obstacle is surrounded by the structured cloak for cloaking frequencies between 2.6 and 7.0 GHz. This suggests, as supported by 2D finite element simulations, sound waves are cloaked between 3 and 8 KHz and linear surface liquid waves between 5 and 16 Hz. Moreover, microwave experiments show the field is reduced by 10 to 30 dB inside the invisibility region, which suggests the multi-wave cloak could be used as a protection against water, sonic or microwaves.

  16. Molding acoustic, electromagnetic and water waves with a single cloak

    KAUST Repository

    Xu, Jun; Jiang, Xu; Fang, Nicholas; Georget, Elodie; Abdeddaim, Redha; Geffrin, Jean Michel; Farhat, Mohamed; Sabouroux, Pierre; Enoch, Stefan; Guenneau, Sé bastien

    2015-01-01

    We describe two experiments demonstrating that a cylindrical cloak formerly introduced for linear surface liquid waves works equally well for sound and electromagnetic waves. This structured cloak behaves like an acoustic cloak with an effective anisotropic density and an electromagnetic cloak with an effective anisotropic permittivity, respectively. Measured forward scattering for pressure and magnetic fields are in good agreement and provide first evidence of broadband cloaking. Microwave experiments and 3D electromagnetic wave simulations further confirm reduced forward and backscattering when a rectangular metallic obstacle is surrounded by the structured cloak for cloaking frequencies between 2.6 and 7.0 GHz. This suggests, as supported by 2D finite element simulations, sound waves are cloaked between 3 and 8 KHz and linear surface liquid waves between 5 and 16 Hz. Moreover, microwave experiments show the field is reduced by 10 to 30 dB inside the invisibility region, which suggests the multi-wave cloak could be used as a protection against water, sonic or microwaves. © 2015, Nature Publishing Group. All rights reserved.

  17. Protein dynamics revealed in the excitonic spectra of single LH2 complexes

    International Nuclear Information System (INIS)

    Valkunas, Leonas; Janusonis, Julius; Rutkauskas, Danielis; Grondelle, Rienk van

    2007-01-01

    The fluorescence emission spectrum of single peripheral light-harvesting (LH2) complexes of the photosynthetic purple bacterium Rhodopseudomonas acidophila exhibits remarkable dynamics on a time scale of several minutes. Often the spectral properties are quasi-stable; sometimes large spectral jumps to the blue or to the red are observed. To explain the dynamics, every pigment is proposed to be in two conformational substates with different excitation energies, which originate from the conformational state of the protein as a result of pigment-protein interaction. Due to the excitonic coupling in the ring of 18 pigments, the two-state assumption generates a substantial amount of distinct spectroscopic states, which reflect part of the inhomogeneous distributed spectral properties of LH2. To describe the observed dynamics, spontaneous and light-induced transitions are introduced between the two states. For each 'realization of the disorder', the spectral properties are calculated using a disordered exciton model combined with the modified Redfield theory to obtain realistic spectral line shapes. The single-molecule fluorescence peak (FLP) distribution, the distribution dependence on the excitation intensity, and the FLP time traces are well described within the framework of this model

  18. Spin-polarized transport through single-molecule magnet Mn6 complexes

    KAUST Repository

    Cremades, Eduard

    2013-01-01

    The coherent transport properties of a device, constructed by sandwiching a Mn6 single-molecule magnet between two gold surfaces, are studied theoretically by using the non-equilibrium Green\\'s function approach combined with density functional theory. Two spin states of such Mn6 complexes are explored, namely the ferromagnetically coupled configuration of the six MnIII cations, leading to the S = 12 ground state, and the low S = 4 spin state. For voltages up to 1 volt the S = 12 ground state shows a current one order of magnitude larger than that of the S = 4 state. Furthermore this is almost completely spin-polarized, since the Mn6 frontier molecular orbitals for S = 12 belong to the same spin manifold. As such the high-anisotropy Mn6 molecule appears as a promising candidate for implementing, at the single molecular level, both spin-switches and low-temperature spin-valves. © 2013 The Royal Society of Chemistry.

  19. Single-particle fusion of influenza viruses reveals complex interactions with target membranes

    Science.gov (United States)

    van der Borg, Guus; Braddock, Scarlett; Blijleven, Jelle S.; van Oijen, Antoine M.; Roos, Wouter H.

    2018-05-01

    The first step in infection of influenza A virus is contact with the host cell membrane, with which it later fuses. The composition of the target bilayer exerts a complex influence on both fusion efficiency and time. Here, an in vitro, single-particle approach is used to study this effect. Using total internal reflection fluorescence (TIRF) microscopy and a microfluidic flow cell, the hemifusion of single virions is visualized. Hemifusion efficiency and kinetics are studied while altering target bilayer cholesterol content and sialic-acid donor. Cholesterol ratios tested were 0%, 10%, 20%, and 40%. Sialic-acid donors GD1a and GYPA were used. Both cholesterol ratio and sialic-acid donors proved to have a significant effect on hemifusion efficiency. Furthermore, comparison between GD1a and GYPA conditions shows that the cholesterol dependence of the hemifusion time is severely affected by the sialic-acid donor. Only GD1a shows a clear increasing trend in hemifusion efficiency and time with increasing cholesterol concentration of the target bilayer with maximum rates for GD1A and 40% cholesterol. Overall our results show that sialic acid donor and target bilayer composition should be carefully chosen, depending on the desired hemifusion time and efficiency in the experiment.

  20. Simplified paraboloid phase model-based phase tracker for demodulation of a single complex fringe.

    Science.gov (United States)

    He, A; Deepan, B; Quan, C

    2017-09-01

    A regularized phase tracker (RPT) is an effective method for demodulation of single closed-fringe patterns. However, lengthy calculation time, specially designed scanning strategy, and sign-ambiguity problems caused by noise and saddle points reduce its effectiveness, especially for demodulating large and complex fringe patterns. In this paper, a simplified paraboloid phase model-based regularized phase tracker (SPRPT) is proposed. In SPRPT, first and second phase derivatives are pre-determined by the density-direction-combined method and discrete higher-order demodulation algorithm, respectively. Hence, cost function is effectively simplified to reduce the computation time significantly. Moreover, pre-determined phase derivatives improve the robustness of the demodulation of closed, complex fringe patterns. Thus, no specifically designed scanning strategy is needed; nevertheless, it is robust against the sign-ambiguity problem. The paraboloid phase model also assures better accuracy and robustness against noise. Both the simulated and experimental fringe patterns (obtained using electronic speckle pattern interferometry) are used to validate the proposed method, and a comparison of the proposed method with existing RPT methods is carried out. The simulation results show that the proposed method has achieved the highest accuracy with less computational time. The experimental result proves the robustness and the accuracy of the proposed method for demodulation of noisy fringe patterns and its feasibility for static and dynamic applications.

  1. Max-min SINR low complexity transceiver design for single cell massive MIMO

    KAUST Repository

    Sifaou, Houssem

    2016-08-11

    This work focuses on large scale multi-user MIMO systems in which the base station (BS) outfitted with M antennas communicates with K single antenna user equipments (UEs). In particular, we aim at designing the linear precoder and receiver that maximizes the minimum signal-to-interference-plus-noise ratio (SINR) subject to a given power constraint. To gain insights into the structure of the optimal precoder and receiver as well as to reduce the computational complexity for their implementation, we analyze the asymptotic regime where M and K grow large with a given ratio and make use of random matrix theory (RMT) tools to compute accurate approximations. Although simpler, the implementation of the asymptotic precoder and receiver requires fast inversions of large matrices in every coherence period. To overcome this issue, we apply the truncated polynomial expansion (TPE) technique to the precoding and receiving vector of each UE and make use of RMT to determine the optimal weighting coefficients that asymptotically solve the max-min SINR problem. Numerical results are used to show that the proposed TPE-based precoder and receiver almost achieve the same performance as the optimal ones while requiring a lower complexity.

  2. Rational design of single-ion magnets and spin qubits based on mononuclear lanthanoid complexes.

    Science.gov (United States)

    Baldoví, José J; Cardona-Serra, Salvador; Clemente-Juan, Juan M; Coronado, Eugenio; Gaita-Ariño, Alejandro; Palii, Andrew

    2012-11-19

    Here we develop a general approach to calculating the energy spectrum and the wave functions of the low-lying magnetic levels of a lanthanoid ion submitted to the crystal field created by the surrounding ligands. This model allows us to propose general criteria for the rational design of new mononuclear lanthanoid complexes behaving as single-molecule magnets (SMMs) or acting as robust spin qubits. Three typical environments exhibited by these metal complexes are considered, namely, (a) square antiprism, (b) triangular dodecahedron, and (c) trigonal prism. The developed model is used to explain the properties of some representative examples showing these geometries. Key questions in this area, such as the chemical tailoring of the superparamagnetic energy barrier, tunneling gap, or spin relaxation time, are discussed. Finally, in order to take into account delocalization and/or covalent effects of the ligands, this point-charge model is complemented with ab initio calculations, which provide accurate information on the charge distribution around the metal, allowing for an explanation of the SMM behavior displayed by some sandwich-type organometallic compounds.

  3. Complex antioxidants in a randomized single-blinded study of memory in seniors.

    Science.gov (United States)

    Summers, William K; Martin, Roy L; Liu, Yimeng; Peña, Bernice; Marsh, Gary M

    2018-04-01

    Oxidative injury to the brain and aging are theoretical co-causes of Alzheimer's Disease (AD). Amyloid plaques and tangles are then secondary phenomenon. The preclinical state would then be 'normal' elderly. A potent complex antioxidant (antiOx) was tested against a popular one-a-day multivitamin (mV) in a randomized single blind design in 'normal' senior subjects over 6 months. Memory testing was done at baseline, 1, 3, and 6 months. The generalized estimating equation (GEE) approach was used to compare the change score of NLT 100 and 20 WR between two groups over time. Analysis of the antiOx group (30 subjects) demonstrated significant improvement in declarative memory (change score for NLT 100 at month 6 = 6.36 p working memory (change score for 20 WR at month 6 = 3.23, p < 0.0001). A change-score analysis over 6 months suggests possible neurogenesis in the antiOx group. The mV group (33 subjects) had a change score of the NLT 100 and 20WR on the sixth month of 2.20 and 0.32 (p = 0.07, 0.35). A complex antioxidant blend, sold as an over-the-counter (OTC) supplement, can improve memory in elder subjects. Antioxidants may be beneficial in AD and other neurodegerative diseases.

  4. ESR study of irradiated single crystals of the cocrystalline complex of cytidine: Salicylic acid

    International Nuclear Information System (INIS)

    Close, D.M.; Sagstuen, E.

    1983-01-01

    Irradiation at 77 K of single crystals of the 1:1 complex of cytidine and salicylic acid produces a phenoxyl radical formed by oxidation of the salicylic acid. Anisotropic hyperfine coupling tensors have been determined for this radical which are associated with the para and ortho hydrogens. No cytidine oxidation products (alkoxy or hydroxyalkyl radicals) were observed at 77 K. Following the decay of the phenoxyl radical at room temperature, four radicals were detected. These include the cytosine 5--yl and 6--yl radicals, formed by H addition to the cytosine ring, and an anisotropic doublet. By UV irradiation at room temperature, it is possible to convert a significant fraction of 6-yl radicals into 5-yl radicals. Hyperfine coupling and g tensors determined for the anisotropic doublet indicate that this radical is formed in the C/sub 1'/-C/sub 2'/ region of the sugar moiety. These results indicate a shift in radiation damage away from the salicylic acid upon warming, and show that the radiation chemistry of the cocrystalline complex is different from that of the isolated bases

  5. Assignment of Streptococcus agalactiae isolates to clonal complexes using a small set of single nucleotide polymorphisms.

    Science.gov (United States)

    Honsa, Erin; Fricke, Thomas; Stephens, Alex J; Ko, Danny; Kong, Fanrong; Gilbert, Gwendolyn L; Huygens, Flavia; Giffard, Philip M

    2008-08-19

    Streptococcus agalactiae (Group B Streptococcus (GBS)) is an important human pathogen, particularly of newborns. Emerging evidence for a relationship between genotype and virulence has accentuated the need for efficient and well-defined typing methods. The objective of this study was to develop a single nucleotide polymorphism (SNP) based method for assigning GBS isolates to multilocus sequence typing (MLST)-defined clonal complexes. It was found that a SNP set derived from the MLST database on the basis of maximization of Simpsons Index of Diversity provided poor resolution and did not define groups concordant with the population structure as defined by eBURST analysis of the MLST database. This was interpreted as being a consequence of low diversity and high frequency horizontal gene transfer. Accordingly, a different approach to SNP identification was developed. This entailed use of the "Not-N" bioinformatic algorithm that identifies SNPs diagnostic for groups of known sequence variants, together with an empirical process of SNP testing. This yielded a four member SNP set that divides GBS into 10 groups that are concordant with the population structure. A fifth SNP was identified that increased the sensitivity for the clinically significant clonal complex 17 to 100%. Kinetic PCR methods for the interrogation of these SNPs were developed, and used to genotype 116 well characterized isolates. A five SNP method for dividing GBS into biologically valid groups has been developed. These SNPs are ideal for high throughput surveillance activities, and combining with more rapidly evolving loci when additional resolution is required.

  6. Modern possibilities of radiotherapy in the complex and single treatment of panaris

    International Nuclear Information System (INIS)

    Kolipiliev, V.; Momchev, M.

    1979-01-01

    Results are reported of the treatment of 282 patients with different forms of panaris: 39 per cent received radiotherapy alone, in the remaining radiotherapy was combined with surgical management, antibiotics and local treatment. Two different radiotherapy schemes were attempted: 49% of the patients received rather high single (50-80 rad) and total (300-600 rad) doses in the local site at a regimen of superficial (100 kV, 4 mm Al) or deep (180-200 kV, 0.5-1 mm Cu) roentgentherapy, with size of field 4/4 cm or 4/6 cm and 30-40 cm distance. In the remaining 51% of patients radiotherapy was characterized by dynamic fractionation and longer duration of procedures with significantly lower single (30-40 rad) and total (160-320 rad) doses. In recent years the second scheme has been preferred and has gain wide acceptance. Irradiation dose and rate invariably conformed to the type of inflammatory process. Patients with panaritium paronychium and panaritium subcutaneum admitted for treatment in the first few days of development of the digital infection required only several procedures on alternate days to achieve complete cure in a week. In the event of pus collection, 1 or 2 irradiation procedures accelerated abscess formation; this was followed by surgical intervention with postoperative radiotherapy to hasten the granulation process. Treatment of bone-and-joint forms of panaris was complex with initially higher single doses, followed by lower ones, applied up to twice weekly. The following advantages of the method are pointed out: shortening of treatment, respectively of the disability period; easy to perform, painless and practically innocuous manipulation. Complete cure could not be achieved only in advanced, torpid cases. (A.B.)

  7. SCAP-82, Single Scattering, Albedo Scattering, Point-Kernel Analysis in Complex Geometry

    International Nuclear Information System (INIS)

    Disney, R.K.; Vogtman, S.E.

    1987-01-01

    1 - Description of problem or function: SCAP solves for radiation transport in complex geometries using the single or albedo scatter point kernel method. The program is designed to calculate the neutron or gamma ray radiation level at detector points located within or outside a complex radiation scatter source geometry or a user specified discrete scattering volume. Geometry is describable by zones bounded by intersecting quadratic surfaces within an arbitrary maximum number of boundary surfaces per zone. Anisotropic point sources are describable as pointwise energy dependent distributions of polar angles on a meridian; isotropic point sources may also be specified. The attenuation function for gamma rays is an exponential function on the primary source leg and the scatter leg with a build- up factor approximation to account for multiple scatter on the scat- ter leg. The neutron attenuation function is an exponential function using neutron removal cross sections on the primary source leg and scatter leg. Line or volumetric sources can be represented as a distribution of isotropic point sources, with un-collided line-of-sight attenuation and buildup calculated between each source point and the detector point. 2 - Method of solution: A point kernel method using an anisotropic or isotropic point source representation is used, line-of-sight material attenuation and inverse square spatial attenuation between the source point and scatter points and the scatter points and detector point is employed. A direct summation of individual point source results is obtained. 3 - Restrictions on the complexity of the problem: - The SCAP program is written in complete flexible dimensioning so that no restrictions are imposed on the number of energy groups or geometric zones. The geometric zone description is restricted to zones defined by boundary surfaces defined by the general quadratic equation or one of its degenerate forms. The only restriction in the program is that the total

  8. Complex networks from experimental horizontal oil–water flows: Community structure detection versus flow pattern discrimination

    International Nuclear Information System (INIS)

    Gao, Zhong-Ke; Fang, Peng-Cheng; Ding, Mei-Shuang; Yang, Dan; Jin, Ning-De

    2015-01-01

    We propose a complex network-based method to distinguish complex patterns arising from experimental horizontal oil–water two-phase flow. We first use the adaptive optimal kernel time–frequency representation (AOK TFR) to characterize flow pattern behaviors from the energy and frequency point of view. Then, we infer two-phase flow complex networks from experimental measurements and detect the community structures associated with flow patterns. The results suggest that the community detection in two-phase flow complex network allows objectively discriminating complex horizontal oil–water flow patterns, especially for the segregated and dispersed flow patterns, a task that existing method based on AOK TFR fails to work. - Highlights: • We combine time–frequency analysis and complex network to identify flow patterns. • We explore the transitional flow behaviors in terms of betweenness centrality. • Our analysis provides a novel way for recognizing complex flow patterns. • Broader applicability of our method is demonstrated and articulated

  9. "Switching on" the properties of single-molecule magnetism in triangular manganese(III) complexes.

    Science.gov (United States)

    Stamatatos, Theocharis C; Foguet-Albiol, Dolos; Lee, Sheng-Chiang; Stoumpos, Constantinos C; Raptopoulou, Catherine P; Terzis, Aris; Wernsdorfer, Wolfgang; Hill, Stephen O; Perlepes, Spyros P; Christou, George

    2007-08-01

    The reaction between oxide-centered, triangular [MnIII3O(O2CR)6(py)3](ClO4) (R = Me (1), Et (2), Ph (3)) compounds and methyl 2-pyridyl ketone oxime (mpkoH) affords a new family of Mn/carboxylato/oximato complexes, [MnIII3O(O2CR)3(mpko)3](ClO4) [R = Me (4), Et (5), and Ph (6)]. As in 1-3, the cations of 4-6 contain an [MnIII3(mu3-O)]7+ triangular core, but with each Mn2 edge now bridged by an eta1:eta1:mu-RCO2- and an eta1:eta1:eta1:mu-mpko- group. The tridentate binding mode of the latter causes a buckling of the formerly planar [MnIII3(mu3-O)]7+ core, resulting in a relative twisting of the three MnIII octahedra and the central O2- ion now lying approximately 0.3 A above the Mn3 plane. This structural distortion leads to ferromagnetic exchange interactions within the molecule and a resulting S = 6 ground state. Fits of dc magnetization data for 4-6 collected in the 1.8-10.0 K and 10-70 kG ranges confirmed S = 6 ground states, and gave the following D and g values: -0.34 cm(-1) and 1.92 for 4, -0.34 cm(-1) and 1.93 for 5, and -0.35 cm(-1) and 1.99 for 6, where D is the axial zero-field splitting (anisotropy) parameter. Complexes 4-6 all exhibit frequency-dependent out-of-phase (chi" M) ac susceptibility signals suggesting them possibly to be single-molecule magnets (SMMs). Relaxation rate vs T data for complex 4 down to 1.8 K obtained from the chi" M vs T studies were supplemented with rate vs T data measured to 0.04 K via magnetization vs time decay studies, and these were used to construct Arrhenius plots from which was obtained the effective barrier to relaxation (Ueff) of 10.9 K. Magnetization vs dc field sweeps on single-crystals of 4.3CH2Cl2 displayed hysteresis loops exhibiting steps due to quantum tunneling of magnetization (QTM). The loops were essentially temperature-independent below approximately 0.3 K, indicating only ground-state QTM between the lowest-lying Ms = +/-6 levels. Complexes 4-6 are thus confirmed as the first triangular SMMs. High

  10. In situ spectroscopic identification of neptunium(V) inner-sphere complexes on the hematite-water interface.

    Science.gov (United States)

    Müller, Katharina; Gröschel, Annett; Rossberg, André; Bok, Frank; Franzen, Carola; Brendler, Vinzenz; Foerstendorf, Harald

    2015-02-17

    Hematite plays a decisive role in regulating the mobility of contaminants in rocks and soils. The Np(V) reactions at the hematite-water interface were comprehensively investigated by a combined approach of in situ vibrational spectroscopy, X-ray absorption spectroscopy and surface complexation modeling. A variety of sorption parameters such as Np(V) concentration, pH, ionic strength, and the presence of bicarbonate was considered. Time-resolved IR spectroscopic sorption experiments at the iron oxide-water interface evidenced the formation of a single monomer Np(V) inner-sphere sorption complex. EXAFS provided complementary information on bidentate edge-sharing coordination. In the presence of atmospherically derived bicarbonate the formation of the bis-carbonato inner-sphere complex was confirmed supporting previous EXAFS findings.1 The obtained molecular structure allows more reliable surface complexation modeling of recent and future macroscopic data. Such confident modeling is mandatory for evaluating water contamination and for predicting the fate and migration of radioactive contaminants in the subsurface environment as it might occur in the vicinity of a radioactive waste repository or a reprocessing plant.

  11. Investigation of the complex electroviscous effects on electrolyte (single and multiphase) flow in porous medi.

    Science.gov (United States)

    Bolet, A. J. S.; Linga, G.; Mathiesen, J.

    2017-12-01

    Surface charge is an important control parameter for wall-bounded flow of electrolyte solution. The electroviscous effect has been studied theoretically in model geometries such as infinite capillaries. However, in more complex geometries a quantification of the electroviscous effect is a non-trival task due to strong non-linarites of the underlying equations. In general, one has to rely on numerical methods. Here we present numerical studies of the full three-dimensional steady state Stokes-Poisson-Nernst-Planck problem in order to model electrolyte transport in artificial porous samples. The simulations are performed using the finite element method. From the simulation, we quantity how the electroviscous effect changes the general flow permeability in complex three-dimensional porous media. The porous media we consider are mostly generated artificially by connecting randomly dispersed cylindrical pores. Furthermore, we present results of electric driven two-phase immiscible flow in two dimensions. The simulations are performed by augmenting the above equations with a phase field model to handle and track the interaction between the two fluids (using parameters corresponding to oil-water interfaces, where oil non-polar). In particular, we consider the electro-osmotic effect on imbibition due to charged walls and electrolyte-solution.

  12. Copper complexation capacity in surface waters of the Venice Lagoon.

    Science.gov (United States)

    Delgadillo-Hinojosa, Francisco; Zirino, Alberto; Nasci, Cristina

    2008-10-01

    Total copper (Cu(T)), copper ion activity (pCu) and the copper complexation capacity (CuCC) were determined in samples of seawater collected in July 2003 from the Venice Lagoon. Cu(T) and CuCC showed considerable spatial variability: Cu(T) ranged from 1.8 to 70.0nM, whereas the CuCC varied from 195 to 573nM. pCu values varied from 11.6 to 12.6 and are consistent with those previously reported in estuarine and coastal areas (10.9-14.1). The range of Cu(T) values compares well with those reported in the past in the lagoon and in the adjacent Adriatic Sea. The highest concentrations of Cu(T) were found in samples collected near the industrial area of Porto Marghera, whereas the lowest were measured near the Chioggia and Malamocco inlets, where an intense tidally-driven renewal of seawater takes place. Although CuCC showed a high degree of spatial variability, the values recorded in the Venice Lagoon are comparable to those reported in other estuarine systems. In addition, CuCC was positively correlated with dissolved organic carbon (DOC), suggesting that organic ligands responsible for Cu complexation are part of the bulk organic matter pool in the lagoon. The CuCC:Cu(T) molar ratio was, on average 55:1, indicating that a large excess of complexation capacity exists in the Venice Lagoon. The high levels of CuCC and the narrow range of pCu indicates the importance of the role played by organic ligands in controlling the free ion Cu concentrations in the lagoon, and as a consequence, regulating its availability and/or toxicity.

  13. Annual Storm Water Report for the Y-12 National Security Complex Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Environment Compliance Department

    2012-01-01

    The storm water pollution prevention program at the Y-12 National Security Complex (Y-12 Complex) intends to protect the quality of storm water runoff through: (1) reducing the exposure of metal accumulation areas to precipitation, (2) implementation of Best Management Practices, (3) sampling during rain events and subsequent analysis, and (4) routine surveillances. When prescribed, the analytical data is compared to a set of cut-off concentration values to determine how the Y-12 Complex relates to other metal fabrication industries in the state of Tennessee. The quality of the storm water exiting the Y-12 Complex via East Fork Poplar Creek indicated some improvement in 2011. This improvement is attributable to the completion of several construction, demolition and remediation projects which occurred in 2010 and 2011. Emphasis will continue to be placed on site inspections and the timely implementation of improved storm water control measures as deemed necessary.

  14. Annual Storm Water Report for the Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Clean Water Compliance Section of the Environment Compliance Department

    2012-01-01

    The storm water pollution prevention program at the Y-12 National Security Complex (Y-12 Complex) intends to protect the quality of storm water runoff through: (1) reducing the exposure of metal accumulation areas to precipitation, (2) implementation of Best Management Practices, (3) sampling during rain events and subsequent analysis, and (4) routine surveillances. When prescribed, the analytical data is compared to a set of cut-off concentration values to determine how the Y-12 Complex relates to other metal fabrication industries in the state of Tennessee. The quality of the storm water exiting the Y-12 Complex via East Fork Poplar Creek indicated some improvement in 2011. This improvement is attributable to the completion of several construction, demolition and remediation projects which occurred in 2010 and 2011. Emphasis will continue to be placed on site inspections and the timely implementation of improved storm water control measures as deemed necessary.

  15. Environmental study of the waters of Mandovi - Zuari estuarine complex, Goa

    Digital Repository Service at National Institute of Oceanography (India)

    Singbal, S.Y.S.

    variations of some environmental parameters at different stations at surface and bottom waters of complex were studied during 1972-73, 1975 and 1977-78. In general, weak thermal stratification is developed at some stations during monsoon and post...

  16. Single Picture Integration for Territorial Water Surveillance (SPITS): An initiative to improve situational awareness in littoral waters

    NARCIS (Netherlands)

    Theil, A.; Huizing, A.; Heijningen, A.W.P.

    2006-01-01

    Single Picture Integration for Territorial Water Surveillance (SPITS) is an initiative conducted by TNO Defence, Security and Safety in which techniques to enhance the quality of the maritime surface picture are considered. Observing the environment with a suite of dissimilar sensors is considered

  17. Complex Parts, Complex Data: Why You Need to Understand What Radiation Single Event Testing Data Does and Doesn't Show and the Implications Thereof

    Science.gov (United States)

    LaBel, Kenneth A.; Berg, Melanie D.

    2015-01-01

    Electronic parts (integrated circuits) have grown in complexity such that determining all failure modes and risks from single particle event testing is impossible. In this presentation, the authors will present why this is so and provide some realism on what this means. Its all about understanding actual risks and not making assumptions.

  18. Accurate prediction of complex free surface flow around a high speed craft using a single-phase level set method

    Science.gov (United States)

    Broglia, Riccardo; Durante, Danilo

    2017-11-01

    This paper focuses on the analysis of a challenging free surface flow problem involving a surface vessel moving at high speeds, or planing. The investigation is performed using a general purpose high Reynolds free surface solver developed at CNR-INSEAN. The methodology is based on a second order finite volume discretization of the unsteady Reynolds-averaged Navier-Stokes equations (Di Mascio et al. in A second order Godunov—type scheme for naval hydrodynamics, Kluwer Academic/Plenum Publishers, Dordrecht, pp 253-261, 2001; Proceedings of 16th international offshore and polar engineering conference, San Francisco, CA, USA, 2006; J Mar Sci Technol 14:19-29, 2009); air/water interface dynamics is accurately modeled by a non standard level set approach (Di Mascio et al. in Comput Fluids 36(5):868-886, 2007a), known as the single-phase level set method. In this algorithm the governing equations are solved only in the water phase, whereas the numerical domain in the air phase is used for a suitable extension of the fluid dynamic variables. The level set function is used to track the free surface evolution; dynamic boundary conditions are enforced directly on the interface. This approach allows to accurately predict the evolution of the free surface even in the presence of violent breaking waves phenomena, maintaining the interface sharp, without any need to smear out the fluid properties across the two phases. This paper is aimed at the prediction of the complex free-surface flow field generated by a deep-V planing boat at medium and high Froude numbers (from 0.6 up to 1.2). In the present work, the planing hull is treated as a two-degree-of-freedom rigid object. Flow field is characterized by the presence of thin water sheets, several energetic breaking waves and plungings. The computational results include convergence of the trim angle, sinkage and resistance under grid refinement; high-quality experimental data are used for the purposes of validation, allowing to

  19. Single ICMEs and Complex Transient Structures in the Solar Wind in 2010 - 2011

    Science.gov (United States)

    Rodkin, D.; Slemzin, V.; Zhukov, A. N.; Goryaev, F.; Shugay, Y.; Veselovsky, I.

    2018-05-01

    the single-source and multi-source solar wind structures and compared them with the ICME signatures determined from the kinematic and magnetic field parameters of the solar wind. In single-source events, the ion charge state, as a rule, has a one-peak enhancement with an average duration of about one day, which is similar to the mean ICME duration of 1.12 days derived from the Richardson and Cane list. In the multi-source events, the total profile of the ion charge state consists of a sequence of enhancements that is associated with the interaction between the participating streams. On average, the total duration of the complex structures that appear as a result of the CME-CME and CME-HSS interactions as determined from their ion composition is 2.4 days, which is more than twice longer than that of the single-source events.

  20. Functionalized single walled carbon nanotubes as template for water storage device

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Sanjib; Taraphder, Srabani, E-mail: srabani@chem.iitkgp.ernet.in

    2016-11-10

    Single walled carbon nanotubes, endohedrally functionalized with a protonated/unprotonated carboxylic acid group, are examined as potential templates for water storage using classical molecular dynamics simulation studies. Following a spontaneous entry of water molecules into the core of model functionalized carbon nanotubes (FCNTs), a large fraction of water molecules are found to be trapped inside FCNTs of lengths 50 and 100 Å. Only water molecules near the two open ends of the nanotube are exchanged with the bulk solvent. The residence times of water molecules inside FCNTs are investigated by varying the length of the tube, the length of suspended functional group and the protonation state of the carboxylic acid group. Favorable energetic interactions between the functional group and water, assisted by a substantial gain in rotational entropy, are found to compensate for the entropy loss resulting from restricted translational diffusion of trapped water molecules.

  1. Application of X-ray single crystal diffractometry to investigation of Np(5) complexes with n-donor ligands

    International Nuclear Information System (INIS)

    Andreev, G.

    2007-01-01

    Full text of publication follows. We present here some results of application of conventional X-ray single crystal diffractometry to the research on the interaction of Np(V) with N-donor ligands. Compounds that can coordinate to actinides through one or several nitrogen atoms are of a great variety and occur widely in the biosphere. For example, imidazole, pyridine and their derivatives are the building blocks of many biologically important molecules; triazines are known to occur in some aquatic plants. The presence of anthropogenic organic agents like amine-N-carboxylic acids in surface waters has the potential to re-mobilize metals from sediments and aquifers and to influence their bioavailability. The interaction of radionuclides with such ligands needs to be studied in detail to give fundamental understanding the conditions of the incorporation of long lived a-emitters (Np and Pu primarily) into the food chain. Another aspect of the same problem is the design of new chelating ligands for selective co-ordination of actinide ions as an alternative to the traditional sequestering agents. The problem of the separation of long-lived minor actinides and their transmutation also calls for design of new highly selective ligands for solvent extraction. Polydentate N-donor ligands are now considered to be very promising. A detailed study of structural chemistry is crucial for understanding the relationship between the architecture of the ligands and their binding affinity for actinides. The X-ray single crystal diffractometry became conventional technique as applied to the investigation of actinides in spite of difficulties regarding safe handling of radionuclides. This technique provides unambiguous information about modes of the ligand co-ordination to the metal ion and geometrical parameters of complexes. Moreover, the employment of a synchrotron radiation shows considerable promise for determination of solid state structures as well as obtaining structural

  2. Comparing methods of determining Legionella spp. in complex water matrices.

    Science.gov (United States)

    Díaz-Flores, Álvaro; Montero, Juan Carlos; Castro, Francisco Javier; Alejandres, Eva María; Bayón, Carmen; Solís, Inmaculada; Fernández-Lafuente, Roberto; Rodríguez, Guillermo

    2015-04-29

    Legionella testing conducted at environmental laboratories plays an essential role in assessing the risk of disease transmission associated with water systems. However, drawbacks of culture-based methodology used for Legionella enumeration can have great impact on the results and interpretation which together can lead to underestimation of the actual risk. Up to 20% of the samples analysed by these laboratories produced inconclusive results, making effective risk management impossible. Overgrowth of competing microbiota was reported as an important factor for culture failure. For quantitative polymerase chain reaction (qPCR), the interpretation of the results from the environmental samples still remains a challenge. Inhibitors may cause up to 10% of inconclusive results. This study compared a quantitative method based on immunomagnetic separation (IMS method) with culture and qPCR, as a new approach to routine monitoring of Legionella. First, pilot studies evaluated the recovery and detectability of Legionella spp using an IMS method, in the presence of microbiota and biocides. The IMS method results were not affected by microbiota while culture counts were significantly reduced (1.4 log) or negative in the same samples. Damage by biocides of viable Legionella was detected by the IMS method. Secondly, a total of 65 water samples were assayed by all three techniques (culture, qPCR and the IMS method). Of these, 27 (41.5%) were recorded as positive by at least one test. Legionella spp was detected by culture in 7 (25.9%) of the 27 samples. Eighteen (66.7%) of the 27 samples were positive by the IMS method, thirteen of them reporting counts below 10(3) colony forming units per liter (CFU l(-1)), six presented interfering microbiota and three presented PCR inhibition. Of the 65 water samples, 24 presented interfering microbiota by culture and 8 presented partial or complete inhibition of the PCR reaction. So the rate of inconclusive results of culture and PCR was 36

  3. Measuring kinetics of complex single ion channel data using mean-variance histograms.

    Science.gov (United States)

    Patlak, J B

    1993-07-01

    The measurement of single ion channel kinetics is difficult when those channels exhibit subconductance events. When the kinetics are fast, and when the current magnitudes are small, as is the case for Na+, Ca2+, and some K+ channels, these difficulties can lead to serious errors in the estimation of channel kinetics. I present here a method, based on the construction and analysis of mean-variance histograms, that can overcome these problems. A mean-variance histogram is constructed by calculating the mean current and the current variance within a brief "window" (a set of N consecutive data samples) superimposed on the digitized raw channel data. Systematic movement of this window over the data produces large numbers of mean-variance pairs which can be assembled into a two-dimensional histogram. Defined current levels (open, closed, or sublevel) appear in such plots as low variance regions. The total number of events in such low variance regions is estimated by curve fitting and plotted as a function of window width. This function decreases with the same time constants as the original dwell time probability distribution for each of the regions. The method can therefore be used: 1) to present a qualitative summary of the single channel data from which the signal-to-noise ratio, open channel noise, steadiness of the baseline, and number of conductance levels can be quickly determined; 2) to quantify the dwell time distribution in each of the levels exhibited. In this paper I present the analysis of a Na+ channel recording that had a number of complexities. The signal-to-noise ratio was only about 8 for the main open state, open channel noise, and fast flickers to other states were present, as were a substantial number of subconductance states. "Standard" half-amplitude threshold analysis of these data produce open and closed time histograms that were well fitted by the sum of two exponentials, but with apparently erroneous time constants, whereas the mean

  4. Water desalination with a single-layer MoS2 nanopore

    OpenAIRE

    Heiranian, Mohammad; Farimani, Amir Barati; Aluru, Narayana R.

    2015-01-01

    Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60??2. Water flux is found to ...

  5. Single-molecule exploration of photoprotective mechanisms in light-harvesting complexes

    Science.gov (United States)

    Yang, Hsiang-Yu; Schlau-Cohen, Gabriela S.; Gwizdala, Michal; Krüger, Tjaart; Xu, Pengqi; Croce, Roberta; van Grondelle, Rienk; Moerner, W. E.

    2015-03-01

    Plants harvest sunlight by converting light energy to electron flow through the primary events in photosynthesis. One important question is how the light harvesting machinery adapts to fluctuating sunlight intensity. As a result of various regulatory processes, efficient light harvesting and photoprotection are balanced. Some of the biological steps in the photoprotective processes have been extensively studied and physiological regulatory factors have been identified. For example, the effect of lumen pH in changing carotenoid composition has been explored. However, the importance of photophysical dynamics in the initial light-harvesting steps and its relation to photoprotection remain poorly understood. Conformational and excited-state dynamics of multi-chromophore pigment-protein complexes are often difficult to study and limited information can be extracted from ensemble-averaged measurements. To address the problem, we use the Anti-Brownian ELectrokinetic (ABEL) trap to investigate the fluorescence from individual copies of light-harvesting complex II (LHCII), the primary antenna protein in higher plants, in a solution-phase environment. Perturbative surface immobilization or encapsulation schemes are avoided, and therefore the intrinsic dynamics and heterogeneity in the fluorescence of individual proteins are revealed. We perform simultaneous measurements of fluorescence intensity (brightness), excited-state lifetime, and emission spectrum of single trapped proteins. By analyzing the correlated changes between these observables, we identify forms of LHCII with different fluorescence intensities and excited-state lifetimes. The distinct forms may be associated with different energy dissipation mechanisms in the energy transfer chain. Changes of relative populations in response to pH and carotenoid composition are observed, which may extend our understanding of the molecular mechanisms of photoprotection.

  6. Assignment of Streptococcus agalactiae isolates to clonal complexes using a small set of single nucleotide polymorphisms

    Directory of Open Access Journals (Sweden)

    Gilbert Gwendolyn L

    2008-08-01

    Full Text Available Abstract Background Streptococcus agalactiae (Group B Streptococcus (GBS is an important human pathogen, particularly of newborns. Emerging evidence for a relationship between genotype and virulence has accentuated the need for efficient and well-defined typing methods. The objective of this study was to develop a single nucleotide polymorphism (SNP based method for assigning GBS isolates to multilocus sequence typing (MLST-defined clonal complexes. Results It was found that a SNP set derived from the MLST database on the basis of maximisation of Simpsons Index of Diversity provided poor resolution and did not define groups concordant with the population structure as defined by eBURST analysis of the MLST database. This was interpreted as being a consequence of low diversity and high frequency horizontal gene transfer. Accordingly, a different approach to SNP identification was developed. This entailed use of the "Not-N" bioinformatic algorithm that identifies SNPs diagnostic for groups of known sequence variants, together with an empirical process of SNP testing. This yielded a four member SNP set that divides GBS into 10 groups that are concordant with the population structure. A fifth SNP was identified that increased the sensitivity for the clinically significant clonal complex 17 to 100%. Kinetic PCR methods for the interrogation of these SNPs were developed, and used to genotype 116 well characterized isolates. Conclusion A five SNP method for dividing GBS into biologically valid groups has been developed. These SNPs are ideal for high throughput surveillance activities, and combining with more rapidly evolving loci when additional resolution is required.

  7. Ambition, Regulation and Reality. Complex use of land and water resources in Luwu, South Sulawesi, Indonesia

    NARCIS (Netherlands)

    Roth, D.

    2003-01-01

    In this book I present three case studies of the complex regulation of use of land and water resources in Luwu. Attention to the role of legalcomplexity -the existence of different sources and definitions of normative-legal regulation in

  8. Ambition, Regulation and Reality. Complex use of land and water resources in Luwu, South Sulawesi, Indonesia

    NARCIS (Netherlands)

    Roth, D.

    2003-01-01

    In this book I present three case studies of the complex regulation of use of land and water resources in Luwu. Attention to the role of legalcomplexity -the existence of different sources and definitions of normative-legal regulation in

  9. Complex single step skull reconstruction in Gorham's disease - a technical report and review of the literature.

    Science.gov (United States)

    Ohla, Victoria; Bayoumi, Ahmed B; Hefty, Markus; Anderson, Matthew; Kasper, Ekkehard M

    2015-03-11

    Gorham's disease is a rare osteolytic disorder characterized by progressive resorption of bone and replacement of osseous matrix by a proliferative non-neoplastic vascular or lymphatic tissue. A standardized treatment protocol has not yet been defined due to the unpredictable natural history of the disease and variable clinical presentations. No single treatment has proven to be superior in arresting the course of the disease. Trials have included surgery, radiation and medical therapies using drugs such as calcium salts, vitamin D supplements and hormones. We report on our advantageous experience in the management of this osteolyic disorder in a case when it affected only the skull vault. A brief review of pertinent literature about Gorham's disease with skull involvement is provided. A 25-year-old Caucasian male presented with a skull depression over the left fronto-temporal region. He noticed progressive enlargement of the skull defect associated with local pain and mild headache. Physical examination revealed a tender palpable depression of the fronto-temporal convexity. Conventional X-ray of the skull showed widespread loss of bone substance. Subsequent CT scans showed features of patchy erosions indicative of an underlying osteolysis. MRI also revealed marginal enhancement at the site of the defect. The patient was in need of a pathological diagnosis as well as complex reconstruction of the afflicted area. A density graded CT scan was done to determine the variable degrees of osteolysis and a custom made allograft was designed for cranioplasty preoperatively to allow for a single step excisional craniectomy with synchronous skull repair. Gorham's disease was diagnosed based on histopathological examination. No neurological deficit or wound complications were reported postoperatively. Over a two-year follow up period, the patient had no evidence of local recurrence or other systemic involvement. A single step excisional craniectomy and cranioplasty can be an

  10. Genetic effects of single and repeated administration of tritium water in rats

    International Nuclear Information System (INIS)

    Bajrakova, A.; Yagova, A.; Paskalev, Z.

    1983-01-01

    Sexually mature rats were treated with tritium water a single time (370 kBq/g bodyweight), fourfold (111 kBq/g bodyweight on the 1st, 4th, 10th, 16th, 20th, 26th and 36th day). The selected regimes of fractionated treatment provided radiation loading of the sex cells, which was of the order of the single one, but with other distribution in time. By using the dominant lethally test, the authors demonstrated the effectiveness of a rather high tritium water activity (of three orders higher than the PGP, according to the Norms for Radiation Safety (1972)) of the postmeiotic stages and loss of the effect after fourfold fractionated treatment. On the basis of the cytogenetic analysis for checking up reciprocal translocation in the sex cells of just treated male rats, the authors found equal effectiveness of single and fractionated tritium water treatment. (authors)

  11. Complex linkage between soil, soil water, atmosphere and Eucalyptus Plantations

    Science.gov (United States)

    Shukla, C.; Tiwari, K. N.

    2017-12-01

    Eucalyptus is most widely planted genus grown in waste land of eastern region of India to meet the pulp industry requirements. Sustainability of these plantations is of concern because in spite of higher demand water and nutrients of plantations, they are mostly planted on low-fertility soils. This study has been conducted to quantify effect of 25 years old, a fully established eucalyptus plantations on i.) Alteration in physico-chemical and hydrological properties of soil of eucalyptus plantation in comparison to soil of natural grassland and ii.) Spatio-temporal variation in soil moisture under eucalyptus plantations. Soil physico-chemical properties of two adjacent plots covered with eucatuptus and natural grasses were analyzed for three consecutive depths (i.e. 0-30 cm, 30-60 cm and 60-90 cm) with five replications in each plot. Soil infiltration rate and saturated hydraulic conductivity (Ks) were measured in-situ to incorporate the influence of macro porosity caused due to roots of plantations. Daily soil moisture at an interval of 10 cm upto 160 cm depth with 3 replications and Leaf Area Index (LAI) at an interval of 15 days with 5 replications were recorded over the year. Significant variations found at level of 0.05 between soil properties of eucalyptus and natural grass land confirm the effect of plantations on soil properties. Comparative results of soil properties show significant alteration in soil texture such as percent of sand, organic matter and Ks found more by 20%, 9% and 22% respectively in eucalyptus plot as compare to natural grass land. Available soil moisture (ASM) was found constantly minimum in top soil excluding rainy season indicate upward movement of water and nutrients during dry season. Seasonal variation in temperature (T), relative humidity (RH) and leaf area index (LAI) influenced the soil moisture extraction phenomenon. This study clearly stated the impact of long term establishment of eucalyptus plantations make considerable

  12. Impacts of Coulomb Interactions on the Magnetic Responses of Excitonic Complexes in Single Semiconductor Nanostructures

    Directory of Open Access Journals (Sweden)

    Fu Ying-Jhe

    2010-01-01

    Full Text Available Abstract We report on the diamagnetic responses of different exciton complexes in single InAs/GaAs self-assembled quantum dots (QDs and quantum rings (QRs. For QDs, the imbalanced magnetic responses of inter-particle Coulomb interactions play a crucial role in the diamagnetic shifts of excitons (X, biexcitons (XX, and positive trions (X−. For negative trions (X− in QDs, anomalous magnetic responses are observed, which cannot be described by the conventional quadratic energy shift with the magnetic field. The anomalous behavior is attributed to the apparent change in the electron wave function extent after photon emission due to the strong Coulomb attraction by the hole in its initial state. In QRs, the diamagnetic responses of X and XX also show different behaviors. Unlike QDs, the diamagnetic shift of XX in QRs is considerably larger than that of X. The inherent structural asymmetry combined with the inter-particle Coulomb interactions makes the wave function distribution of XX very different from that of X in QRs. Our results suggest that the phase coherence of XX in QRs may survive from the wave function localization due to the structural asymmetry or imperfections.

  13. Capturing complex human behaviors in representative sports contexts with a single camera.

    Science.gov (United States)

    Duarte, Ricardo; Araújo, Duarte; Fernandes, Orlando; Fonseca, Cristina; Correia, Vanda; Gazimba, Vítor; Travassos, Bruno; Esteves, Pedro; Vilar, Luís; Lopes, José

    2010-01-01

    In the last years, several motion analysis methods have been developed without considering representative contexts for sports performance. The purpose of this paper was to explain and underscore a straightforward method to measure human behavior in these contexts. Procedures combining manual video tracking (with TACTO device) and bidimensional reconstruction (through direct linear transformation) using a single camera were used in order to capture kinematic data required to compute collective variable(s) and control parameter(s). These procedures were applied to a 1vs1 association football task as an illustrative subphase of team sports and will be presented in a tutorial fashion. Preliminary analysis of distance and velocity data identified a collective variable (difference between the distance of the attacker and the defender to a target defensive area) and two nested control parameters (interpersonal distance and relative velocity). Findings demonstrated that the complementary use of TACTO software and direct linear transformation permit to capture and reconstruct complex human actions in their context in a low dimensional space (information reduction).

  14. Water Accounting Plus (WA+ – a water accounting procedure for complex river basins based on satellite measurements

    Directory of Open Access Journals (Sweden)

    P. Karimi

    2013-07-01

    Full Text Available Coping with water scarcity and growing competition for water among different sectors requires proper water management strategies and decision processes. A pre-requisite is a clear understanding of the basin hydrological processes, manageable and unmanageable water flows, the interaction with land use and opportunities to mitigate the negative effects and increase the benefits of water depletion on society. Currently, water professionals do not have a common framework that links depletion to user groups of water and their benefits. The absence of a standard hydrological and water management summary is causing confusion and wrong decisions. The non-availability of water flow data is one of the underpinning reasons for not having operational water accounting systems for river basins in place. In this paper, we introduce Water Accounting Plus (WA+, which is a new framework designed to provide explicit spatial information on water depletion and net withdrawal processes in complex river basins. The influence of land use and landscape evapotranspiration on the water cycle is described explicitly by defining land use groups with common characteristics. WA+ presents four sheets including (i a resource base sheet, (ii an evapotranspiration sheet, (iii a productivity sheet, and (iv a withdrawal sheet. Every sheet encompasses a set of indicators that summarise the overall water resources situation. The impact of external (e.g., climate change and internal influences (e.g., infrastructure building can be estimated by studying the changes in these WA+ indicators. Satellite measurements can be used to acquire a vast amount of required data but is not a precondition for implementing WA+ framework. Data from hydrological models and water allocation models can also be used as inputs to WA+.

  15. Experimental investigation of submerged single jet impingement using Cu–water nanofluid

    International Nuclear Information System (INIS)

    Li Qiang; Xuan Yimin; Yu Feng

    2012-01-01

    Jet impingement cooling is a vital technique for thermal management of electronic devices of high-heat-flux by impinging fluid on a heater surface due to its high local heat transfer rates. In this paper, two types of Cu–water nanofluids (Cu particles with 25 nm diameter or 100 nm) are introduced into submerged single jet impingement cooling system as the working fluid. The heat transfer features of the nanofluids were experimentally investigated. The effects of the nanoparticle concentration, Reynolds number, nozzle-to-plate distance, fluid temperature, and nanoparticle diameter on the heat transfer performances of the jet impingement of nanofluids are discussed. The experimental results show that the suspended nanoparticles remarkably increase the convective heat transfer coefficient of the base fluid. The convective heat transfer coefficient of Cu–water nanofluid with the volume fraction of 3.0% has 52% higher than the pure water. The experiments also revealed that the suspended nanoparticles brought almost no extra addition of pressure drop in both submerged single jet impingement. In addition, by considering the effects of the suspended nanoparticles as well as the condition of impinging jet, a new heat transfer correlation of nanofluids for the submerged single jet impingement has been proposed. - Highlights: ► Cu–water nanofluids are introduced into submerged single jet impingement. ► The affecting parameters on the heat transfer performances of nanofluids are discussed. ► New heat transfer correlation of nanofluid for single jet impingement is proposed.

  16. Using complexity science and negotiation theory to resolve boundary-crossing water issues

    Science.gov (United States)

    Islam, Shafiqul; Susskind, Lawrence

    2018-07-01

    Many water governance and management issues are complex. The complexity of these issues is related to crossing of multiple boundaries: political, social and jurisdictional, as well as physical, ecological and biogeochemical. Resolution of these issues usually requires interactions of many parties with conflicting values and interests operating across multiple boundaries and scales to make decisions. The interdependence and feedback among interacting variables, processes, actors and institutions are hard to model and difficult to forecast. Thus, decision-making related to complex water problems needs be contingent and adaptive. This paper draws on a number of ideas from complexity science and negotiation theory that may make it easier to cope with the complexities and difficulties of managing boundary crossing water disputes. It begins with the Water Diplomacy Framework that was developed and tested over the past several years. Then, it uses three key ideas from complexity science (interdependence and interconnectedness; uncertainty and feedback; emergence and adaptation) and three from negotiation theory (stakeholder identification and engagement; joint fact finding; and value creation through option generation) to show how application of these ideas can help enhance effectiveness of water management.

  17. Water desalination with a single-layer MoS2 nanopore

    Science.gov (United States)

    Heiranian, Mohammad; Farimani, Amir Barati; Aluru, Narayana R.

    2015-10-01

    Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 Å2. Water flux is found to be two to five orders of magnitude greater than that of other known nanoporous membranes. Pore chemistry is shown to play a significant role in modulating the water flux. Pores with only molybdenum atoms on their edges lead to higher fluxes, which are ~70% greater than that of graphene nanopores. These observations are explained by permeation coefficients, energy barriers, water density and velocity distributions in the pores.

  18. Photochemistry of the ozone-water complex in cryogenic neon, argon, and krypton matrixes.

    Science.gov (United States)

    Tsuge, Masashi; Tsuji, Kazuhide; Kawai, Akio; Shibuya, Kazuhiko

    2013-12-12

    The photochemistry of ozone-water complexes and the wavelength dependence of the reactions were studied by matrix isolation FTIR spectrometry in neon, argon, and krypton matrixes. Hydrogen peroxide was formed upon the irradiation of UV light below 355 nm. Quantitative analyses of the reactant and product were performed to evaluate the matrix cage effect of the photoreaction. In argon and krypton matrixes, a bimolecular O((1)D) + H2O → H2O2 reaction was found to occur to form hydrogen peroxide, where the O((1)D) atom generated by the photolysis of ozone diffused in the cryogenic solids to encounter water. In a neon matrix, hydrogen peroxide was generated through intracage photoreaction of the ozone-water complex, indicating that a neon matrix medium is most appropriate to study the photochemistry of the ozone-water complex.

  19. Estimating the Relative Water Content of Single Leaves from Optical Polarization Measurements

    Science.gov (United States)

    Vanderbilt, Vern; Daughtry, Craig; Dahlgren, Robert

    2016-01-01

    Remotely sensing the water status of plants and the water content of canopies remain long-term goals of remote sensing research. For monitoring canopy water status, existing approaches such as the Crop Water Stress Index and the Equivalent Water Thickness have limitations. The CWSI does not work well in humid regions, requires estimates of the vapor pressure deficit near the canopy during the remote sensing over-flight and, once stomata close, provides little information regarding the canopy water status. The EWI is based upon the physics of water-light interaction, not plant physiology. In this research, we applied optical polarization techniques to monitor the VISNIR light reflected from the leaf interior, R, as well as the leaf transmittance, T, as the relative water content (RWC) of corn (Zea mays) leaves decreased. Our results show that R and T both changed nonlinearly as each leaf dried, R increasing and T decreasing. Our results tie changes in the VISNIR R and T to leaf physiological changes linking the light scattered out of the drying leaf interior to its relative water content and to changes in leaf cellular structure and pigments. Our results suggest remotely sensing the physiological water status of a single leaf and perhaps of a plant canopy might be possible in the future. However, using our approach to estimate the water status of a leaf does not appear possible at present, because our results display too much variability that we do not yet understand.

  20. Experimental researches on the single-bubble rising behavior in the water excited by oscillation

    International Nuclear Information System (INIS)

    Cai Jiejin; Zhong Minghuang; Wang Ke; Zeng Xixiang; Lin Yongcheng; WATANABE Tadashi

    2014-01-01

    This study try to carry out experiments to research the bubble rising behavior in the water excited by oscillation and focus on its dynamics characteristics under the oscillation condition with different oscillation frequencies and amplitudes, and get the relationship between bubble's characteristic parameter, such as the bubble shape, rising velocity, etc, and the influence parameters of time, oscillation frequencies, amplitudes, etc. The rising rule of the single bubble in the water excited by oscillation has been concluded. (authors)

  1. Investigation of the complex structure, comparative DNA-binding and DNA cleavage of two water-soluble mono-nuclear lanthanum(III) complexes and cytotoxic activity of chitosan-coated magnetic nanoparticles as drug delivery for the complexes

    Science.gov (United States)

    Asadi, Zahra; Nasrollahi, Neda; Karbalaei-Heidari, Hamidreza; Eigner, Vaclav; Dusek, Michal; Mobaraki, Nabiallah; Pournejati, Roya

    2017-05-01

    Two water-soluble mono-nuclear macrocyclic lanthanum(III) complexes of 2,6-diformyl-4-methylphenol with 1,3-diamino-2-propanol (C1) or 1,3-propylenediamine (C2) were synthesized and characterized by UV-Vis, FT-IR, 13C and 1H NMR spectroscopy and elemental analysis. C1 complex was structurally characterized by single-crystal X-ray diffraction, which revealed that the complex was mononuclear and ten-coordinated. The coordination sites around lanthanum(III) were occupied with a five-dentate ligand, two bidentate nitrates, and one water molecule. The interaction of complexes with DNA was studied in buffered aqueous solution at pH 7.4. UV-Vis absorption spectroscopy, emission spectroscopy, circular dichroism (CD) and viscometric measurements provided clear evidence of the intercalation mechanism of binding. The obtained intrinsic binding constants (Kb) 9.3 × 103 and 1.2 × 103 M- 1 for C1 and C2, respectively confirmed that C1 is better intercalator than C2. The DNA docking studies suggested that the complexes bind with DNA in a groove binding mode with the binding affinity of C1 > C2. Moreover, agarose gel electrophoresis study of the DNA-complex for both compounds revealed that the C1 intercalation cause ethidium bromide replacement in a competitive manner which confirms the suggested mechanism of binding. Finally, the anticancer experiments for the treated cancerous cell lines with both synthesized compounds show that these hydrophilic molecules need a suitable carrier to pass through the hydrophobic nature of cell membrane efficiently.

  2. Study of water role during the complexing of uranyl aquanitrate compounds with cyclic polyethers

    International Nuclear Information System (INIS)

    Belomestnykh, V.I.; Sveshnikova, L.B.; Shabel'nik, K.S.

    1990-01-01

    By the method of vibrational spectroscopy and thermogravimetry the determining role of water molecules during complexing of uranyl aquonitrate compounds with macrocyclic polyethers is confirmed. It is ascertained that in the synthesized complexes of the composition UO 2 (NO 3 ) 2 (H 2 O) 2 ·mH 2 O·nL (m=0,1,2; L-18-crown-6, 15-crown-5, dibenzo-18-crown-6; n=1,2) molecules of macrocyclic ligand are joined at the expense of strong hydrogen bonds with participation of protons of crystallographically nonequivalent water molecules. In the compounds hydrogen bonds of water-water and water-nitrato group type are also realized. Energies of the above-mentioned bonds are calculated

  3. Determinants of single family residential water use across scales in four western US cities.

    Science.gov (United States)

    Chang, Heejun; Bonnette, Matthew Ryan; Stoker, Philip; Crow-Miller, Britt; Wentz, Elizabeth

    2017-10-15

    A growing body of literature examines urban water sustainability with increasing evidence that locally-based physical and social spatial interactions contribute to water use. These studies however are based on single-city analysis and often fail to consider whether these interactions occur more generally. We examine a multi-city comparison using a common set of spatially-explicit water, socioeconomic, and biophysical data. We investigate the relative importance of variables for explaining the variations of single family residential (SFR) water uses at Census Block Group (CBG) and Census Tract (CT) scales in four representative western US cities - Austin, Phoenix, Portland, and Salt Lake City, - which cover a wide range of climate and development density. We used both ordinary least squares regression and spatial error regression models to identify the influence of spatial dependence on water use patterns. Our results show that older downtown areas show lower water use than newer suburban areas in all four cities. Tax assessed value and building age are the main determinants of SFR water use across the four cities regardless of the scale. Impervious surface area becomes an important variable for summer water use in all cities, and it is important in all seasons for arid environments such as Phoenix. CT level analysis shows better model predictability than CBG analysis. In all cities, seasons, and spatial scales, spatial error regression models better explain the variations of SFR water use. Such a spatially-varying relationship of urban water consumption provides additional evidence for the need to integrate urban land use planning and municipal water planning. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Shallow Water Measurements Using a Single Green Laser Corrected by Building a Near Water Surface Penetration Model

    Directory of Open Access Journals (Sweden)

    Jianhu Zhao

    2017-04-01

    Full Text Available To reduce the size and cost of an integrated infrared (IR and green airborne LiDAR bathymetry (ALB system, and improve the accuracy of the green ALB system, this study proposes a method to accurately determine water surface and water bottom heights using a single green laser corrected by the near water surface penetration (NWSP model. The factors that influence the NWSP of green laser are likewise analyzed. In addition, an NWSP modeling method is proposed to determine the relationship between NWSP and the suspended sediment concentration (SSC of the surface layer, scanning angle of a laser beam and sensor height. The water surface and water bottom height models are deduced by considering NWSP and using only green laser based on the measurement principle of the IR laser and green laser, as well as employing the relationship between NWSP and the time delay of the surface return of the green laser. Lastly, these methods and models are applied to a practical ALB measurement. Standard deviations of 3.0, 5.3, and 1.3 cm are obtained by the NWSP, water-surface height, and water-bottom height models, respectively. Several beneficial conclusions and recommendations are drawn through the experiments and discussions.

  5. Investigation for Water Propagation at PEMFC with Single Channel by Neutron Imaging Technique

    International Nuclear Information System (INIS)

    Kim, Tae Joo; Sim, Cheul Muu; Kim, Jong Rok; Kim, Moo Hwan

    2008-01-01

    Effective water management increases performance and durability of the Polymer Electrolyte Membrane Fuel cell(PEMFC). The membrane in PEMFC must be sufficiently hydrated because its conductivity relies primarily on the humidity state of the membrane. Since water is generated as a by-product when the fuel cell is generating power, this water source can be said to be a 'disturbance' to any water management system, which is trying to maintain proper humidity level without flooding. Since water is generated throughout the active area, the downstream area can be flooded even when the upstream area is under-saturated. This creates a challenging environment for water management, which adversely affects the efficiency and reliability in the operation of the PEMFC. Although there are many researches for the water management, their interests are limited on the performance. However, the fundamental information of water propagation characteristics is needed to make a scheme for water management. In this study, we used specially designed PEMFC with only single channel, and the water propagation was investigated according to the channel location by neutron imaging technique

  6. Study of water diffusion on single-supported bilayer lipid membranes by quasielastic neutron scattering

    DEFF Research Database (Denmark)

    Bai, M.; Miskowiec, A.; Hansen, F. Y.

    2012-01-01

    High-energy-resolution quasielastic neutron scattering has been used to elucidate the diffusion of water molecules in proximity to single bilayer lipid membranes supported on a silicon substrate. By varying sample temperature, level of hydration, and deuteration, we identify three different types...... of diffusive water motion: bulk-like, confined, and bound. The motion of bulk-like and confined water molecules is fast compared to those bound to the lipid head groups (7-10 H2O molecules per lipid), which move on the same nanosecond time scale as H atoms within the lipid molecules. Copyright (C) EPLA, 2012...

  7. Perspectives of Complexity in Water Governance: Local Experiences of Global Trends

    Directory of Open Access Journals (Sweden)

    Michele-Lee Moore

    2013-10-01

    Full Text Available Those responsible for water governance face great complexity. However, the conceptualisations of what comprises that complexity have been broad and inconsistent. When efforts are made to address the complexity in water governance, it is unclear whether the problems and the related solutions will be understood across the actors and institutions involved. This paper provides a review of the literature focused on global water governance to discern core themes that commonly characterise discussions of complexity. It then considers how the consequences of these issues are manifested at the local scale through an examination of empirical research of the Murray-Darling Basin Authority and the Prachinburi River Basin Committee. The results demonstrate that a history of a technical, depoliticised discourse is often perceived to contribute to complexity. The consequence is that when a severe ecological disturbance occurs within a river basin with poorly understood causes, few tools are available to support river basin organisations to address the political nature of these challenges. Additionally, a lack of clear authority structures has been recognised globally, but locally this can contribute to conflict amongst the 'governors' of water. Finally, a range of contested definitions and governance frameworks exists that contributes to complexity, but confronting the diversity of perspectives can lead to ethical dilemmas given that the decisions will affect the health and livelihoods of basin communities.

  8. Ecohydrodynamics of cold-water coral reefs: a case study of the Mingulay Reef Complex (western Scotland.

    Directory of Open Access Journals (Sweden)

    Juan Moreno Navas

    Full Text Available Ecohydrodynamics investigates the hydrodynamic constraints on ecosystems across different temporal and spatial scales. Ecohydrodynamics play a pivotal role in the structure and functioning of marine ecosystems, however the lack of integrated complex flow models for deep-water ecosystems beyond the coastal zone prevents further synthesis in these settings. We present a hydrodynamic model for one of Earth's most biologically diverse deep-water ecosystems, cold-water coral reefs. The Mingulay Reef Complex (western Scotland is an inshore seascape of cold-water coral reefs formed by the scleractinian coral Lophelia pertusa. We applied single-image edge detection and composite front maps using satellite remote sensing, to detect oceanographic fronts and peaks of chlorophyll a values that likely affect food supply to corals and other suspension-feeding fauna. We also present a high resolution 3D ocean model to incorporate salient aspects of the regional and local oceanography. Model validation using in situ current speed, direction and sea elevation data confirmed the model's realistic representation of spatial and temporal aspects of circulation at the reef complex including a tidally driven current regime, eddies, and downwelling phenomena. This novel combination of 3D hydrodynamic modelling and remote sensing in deep-water ecosystems improves our understanding of the temporal and spatial scales of ecological processes occurring in marine systems. The modelled information has been integrated into a 3D GIS, providing a user interface for visualization and interrogation of results that allows wider ecological application of the model and that can provide valuable input for marine biodiversity and conservation applications.

  9. A double parameters measurement of steam-water two-phase flow with single orifice

    International Nuclear Information System (INIS)

    Zhong Shuoping; Tong Yunxian; Yu Meiying

    1992-08-01

    A double parameters measurement of steam-water two-phase flow with single orifice is described. An on-line measurement device based on micro-computer has been developed. The measured r.m.s error of steam quality is less than 6.5% and the measured relative r.m.s. error of mass flow rate is less than 9%

  10. Single-Cylinder Diesel Engine Tests with Unstabilized Water-in-Fuel Emulsions

    Science.gov (United States)

    1978-08-01

    A single-cylinder, four-stroke cycle diesel engine was operated on unstabilized water-in-fuel emulsions. Two prototype devices were used to produce the emulsions on-line with the engine. More than 350 test points were run with baseline diesel fuel an...

  11. Surface water retardation around single-chain polymeric nanoparticles: critical for catalytic function?

    Science.gov (United States)

    Stals, Patrick J M; Cheng, Chi-Yuan; van Beek, Lotte; Wauters, Annelies C; Palmans, Anja R A; Han, Songi; Meijer, E W

    2016-03-01

    A library of water-soluble dynamic single-chain polymeric nanoparticles (SCPN) was prepared using a controlled radical polymerisation technique followed by the introduction of functional groups, including probes at targeted positions. The combined tools of electron paramagnetic resonance (EPR) and Overhauser dynamic nuclear polarization (ODNP) reveal that these SCPNs have structural and surface hydration properties resembling that of enzymes.

  12. Noise generated by cavitating single-hole and multi-hole orifices in a water pipe

    NARCIS (Netherlands)

    Testud, P.; Moussou, P.; Hirschberg, A.; Aurégan, Y.

    2007-01-01

    This paper presents an experimental study of the acoustical effects of cavitation caused by a water flow through an orifice. A circular-centered single-hole orifice and a multi-hole orifice are tested. Experiments are performed under industrial conditions: the pressure drop across the orifice varies

  13. On the structure and dynamics of water associated with single-supported zwitterionic and anionic membranes

    DEFF Research Database (Denmark)

    Miskowiec, A.; Buck, Z. N.; Hansen, Flemming Yssing

    2017-01-01

    We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine) and the ani......We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine......) and the anionic lipid DMPG (1,2-dimyristoyl-sn-glycero-3-phosphoglycerol) in the temperature range 160-295 K. For both membranes, the temperature dependence of the intensity of neutrons scattered elastically and incoherently from these samples indicates a series of freezing/melting transitions...... the membrane and two types of confined water in closer proximity to the lipids. Specifically, we propose a water type termed "confined 2" located within and just above the lipid head groups of the membrane and confined 1 water that lies between the bulk-like and confined 2 water. Confined 1 water is only...

  14. Single conversion audio amplifier and DC-AC converters with high performance and low complexity control scheme

    DEFF Research Database (Denmark)

    Poulsen, Søren; Andersen, Michael Andreas E.

    2004-01-01

    This paper proposes a novel control topology for a mains isolated single conversion audio amplifier and DC-AC converters. The topology is made for use in audio applications, and differs from prior art in terms of significantly reduced distortion as well as lower system complexity. The topology can...

  15. Development of a Single Locus Sequence Typing (SLST) Scheme for Typing Bacterial Species Directly from Complex Communities.

    Science.gov (United States)

    Scholz, Christian F P; Jensen, Anders

    2017-01-01

    The protocol describes a computational method to develop a Single Locus Sequence Typing (SLST) scheme for typing bacterial species. The resulting scheme can be used to type bacterial isolates as well as bacterial species directly from complex communities using next-generation sequencing technologies.

  16. Low-Complexity Model Predictive Control of Single-Phase Three-Level Rectifiers with Unbalanced Load

    DEFF Research Database (Denmark)

    Ma, Junpeng; Song, Wensheng; Wang, Xiongfei

    2018-01-01

    The fluctuation of the neutral-point potential in single-phase three-level rectifiers leads to coupling between the line current regulation and dc-link voltage balancing, deteriorating the quality of line current. For addressing this issue, this paper proposes a low-complexity model predictive...

  17. Tunable complex-valued multi-tap microwave photonic filter based on single silicon-oninsulator microring resonator

    DEFF Research Database (Denmark)

    Lloret, Juan; Sancho, Juan; Pu, Minhao

    2011-01-01

    A complex-valued multi-tap tunable microwave photonic filter based on single silicon-on-insulator microring resonator is presented. The degree of tunability of the approach involving two, three and four taps is theoretical and experimentally characterized, respectively. The constraints of exploit...

  18. Single-Walled Carbon Nano tubes as Fluorescence Biosensors for Pathogen Recognition in Water Systems

    International Nuclear Information System (INIS)

    Upadhyayula, V.K.K

    2008-01-01

    The possibility of using single-walled carbon nanotubes (SWCNTs) aggregates as fluorescence sensors for pathogen recognition in drinking water treatment applications has been studied. Batch adsorption study is conducted to adsorb large concentrations of Staphylococcus aureus aureus SH 1000 and Escherichia coli pKV-11 on single-walled carbon nanotubes. Subsequently the immobilized bacteria are detected with confocal microscopy by coating the nanotubes with fluorescence emitting antibodies. The Freundlich adsorption equilibrium constant (k) for S.aureus and E.coli determined from batch adsorption study was found to be 9 x108 and 2 x108 ml/g, respectively. The visualization of bacterial cells adsorbed on fluorescently modified carbon nanotubes is also clearly seen. The results indicate that hydrophobic single-walled carbon nanotubes have excellent bacterial adsorption capacity and fluorescent detection capability. This is an important advancement in designing fluorescence biosensors for pathogen recognition in water systems.

  19. Single-Walled Carbon Nanotubes as Fluorescence Biosensors for Pathogen Recognition in Water Systems

    Directory of Open Access Journals (Sweden)

    Venkata K. K. Upadhyayula

    2008-01-01

    Full Text Available The possibility of using single-walled carbon nanotubes (SWCNTs aggregates as fluorescence sensors for pathogen recognition in drinking water treatment applications has been studied. Batch adsorption study is conducted to adsorb large concentrations of Staphylococcus aureus aureus SH 1000 and Escherichia coli pKV-11 on single-walled carbon nanotubes. Subsequently the immobilized bacteria are detected with confocal microscopy by coating the nanotubes with fluorescence emitting antibodies. The Freundlich adsorption equilibrium constant (k for S.aureus and E.coli determined from batch adsorption study was found to be 9×108 and 2×108 ml/g, respectively. The visualization of bacterial cells adsorbed on fluorescently modified carbon nanotubes is also clearly seen. The results indicate that hydrophobic single-walled carbon nanotubes have excellent bacterial adsorption capacity and fluorescent detection capability. This is an important advancement in designing fluorescence biosensors for pathogen recognition in water systems.

  20. Characterization of metal-bound water in bioactive Fe(III)-cyclophane complexes

    Science.gov (United States)

    Salazar-Medina, A. J.; Gámez-Corrales, R.; Ramírez, J. Z.; González-Aguilar, G. A.; Velázquez-Contreras, E. F.

    2018-02-01

    Binuclear Fe(III) complexes, Fe2PO and Fe2PC, have functions of antioxidants as well as superoxide dismutase and peroxidase mimickers. The role of water molecules in the non-cytotoxic properties of these complexes have been studied by thermogravimetric and IR/Raman-spectroscopic methods. The thermogravimetric analysis of Fe2PO shows the presence of nine water molecules (Fe2PO·9H2O), three of which are directly coordinated to the metallic ion; the remaining six molecules occupy the secondary coordination sphere. For Fe2PC, eight water molecules were detected (Fe2PC·8H2O), and only one of them directly coordinates to the metallic ion. IR/Raman spectrum analyses corroborate the presence of water molecules in both metallic complexes and the mode of coordination to the ligand, on the basis of bands characteristic of hydration water at ∼3300 cm-1 and bands of adsorbed water between 430 and 490 cm-1. A pentacoordinate geometry is proposed for Fe2PO and a hexacoordinated geometry for Fe2PC. Those results are consistent with theoretical calculations performed through a semiempirical PM7 method. The presence of coordinated water molecules is closely related to the reactivity of Fe2PO and Fe2PC in solution.

  1. Forecasting the quality of water-suppressed 1 H MR spectra based on a single-shot water scan.

    Science.gov (United States)

    Kyathanahally, Sreenath P; Kreis, Roland

    2017-08-01

    To investigate whether an initial non-water-suppressed acquisition that provides information about the signal-to-noise ratio (SNR) and linewidth is enough to forecast the maximally achievable final spectral quality and thus inform the operator whether the foreseen number of averages and achieved field homogeneity is adequate. A large range of spectra with varying SNR and linewidth was simulated and fitted with popular fitting programs to determine the dependence of fitting errors on linewidth and SNR. A tool to forecast variance based on a single acquisition was developed and its performance evaluated on simulated and in vivo data obtained at 3 Tesla from various brain regions and acquisition settings. A strong correlation to real uncertainties in estimated metabolite contents was found for the forecast values and the Cramer-Rao lower bounds obtained from the water-suppressed spectra. It appears to be possible to forecast the best-case errors associated with specific metabolites to be found in model fits of water-suppressed spectra based on a single water scan. Thus, nonspecialist operators will be able to judge ahead of time whether the planned acquisition can possibly be of sufficient quality to answer the targeted clinical question or whether it needs more averages or improved shimming. Magn Reson Med 78:441-451, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  2. Detailed Investigation of the Structural, Thermal, and Electronic Properties of Gold Isocyanide Complexes with Mechano-Triggered Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

    Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Seki, Shu; Ito, Hajime

    2016-02-01

    Mechano-induced phase transitions in organic crystalline materials, which can alter their properties, have received much attention. However, most mechano-responsive molecular crystals exhibit crystal-to-amorphous phase transitions, and the intermolecular interaction patterns in the daughter phase are difficult to characterize. We have investigated phenyl(phenylisocyanide)gold(I) (1) and phenyl(3,5-dimethylphenylisocyanide)gold(I) (2) complexes, which exhibit a mechano-triggered single-crystal-to-single-crystal phase transition. Previous reports of complexes 1 and 2 have focused on the relationships between the crystalline structures and photoluminescence properties; in this work we have focused on other aspects. The face index measurements of complexes 1 and 2 before and after the mechano-induced phase transitions have indicated that they undergo non-epitaxial phase transitions without a rigorous orientational relationship between the mother and daughter phases. Differential scanning calorimetry analyses revealed the phase transition of complex 1 to be enthalpically driven by the formation of new aurophilic interactions. In contrast, the phase transition of complex 2 was found to be entropically driven, with the closure of an empty void in the mother phase. Scanning electron microscopy observation showed that the degree of the charging effect of both complexes 1 and 2 was changed by the phase transitions, which suggests that the formation of the aurophilic interactions affords more effective conductive pathways. Moreover, flash-photolysis time-resolved microwave conductivity measurements revealed that complex 1 increased in conductivity after the phase change, whereas the conductivity of complex 2 decreased. These contrasting results were explained by the different patterns in the aurophilic interactions. Finally, an intriguing disappearing polymorphism of complex 2 has been reported, in which a polymorph form could not be obtained again after some period of time

  3. [Partitioning of taxifolin-iron ions complexes in octanol-water system].

    Science.gov (United States)

    Shatalin, Iu V; Shubina, V S

    2014-01-01

    The composition of taxifolin-iron ions complexes in an octanol-water biphasic system was studied using the method of absorption spectrophotometry. It was found that at pH 5.0 in an aqueous biphasic system the complex of [Tf2 x Fe x (OH)k(H2O)8-k] is present, but at pH 7.0 and 9.0 the complexes of [Tf2 x Fe x (OH)k(H2O)2-k] and [Tf x Fe x OH)k(H2O)4-k] are predominantly observed. The formation of a stable [Tf3 x Fe] complex occurred in octanol phase. The charged iron ion of this complex is surrounded by taxifolin molecules, which shield the iron ion from lipophilic solvent. During transition from water to octanol phase the changes of the composition of complexes are accompanied by reciprocal changes in portion of taxifolin and iron ions in these phases. It was shown that the portion of taxifolin in aqueous solution in the presence of iron ions is increased at high pH values, and the portion of iron ions is minimal at pH 7.0. In addition, the parameters of solubility limits of taxifolin-iron ions complexes in an aqueous solution were determined. The data obtained gain a better understanding of the role of complexation of polyphenol with metal of variable valency in passive transport of flavonoids and metal ions across lipid membranes.

  4. Thermodynamics of complex structures formed between single-stranded DNA oligomers and the KH domains of the far upstream element binding protein

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Kaushik; Sinha, Sudipta Kumar; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2016-05-28

    The noncovalent interaction between protein and DNA is responsible for regulating the genetic activities in living organisms. The most critical issue in this problem is to understand the underlying driving force for the formation and stability of the complex. To address this issue, we have performed atomistic molecular dynamics simulations of two DNA binding K homology (KH) domains (KH3 and KH4) of the far upstream element binding protein (FBP) complexed with two single-stranded DNA (ss-DNA) oligomers in aqueous media. Attempts have been made to calculate the individual components of the net entropy change for the complexation process by adopting suitable statistical mechanical approaches. Our calculations reveal that translational, rotational, and configurational entropy changes of the protein and the DNA components have unfavourable contributions for this protein-DNA association process and such entropy lost is compensated by the entropy gained due to the release of hydration layer water molecules. The free energy change corresponding to the association process has also been calculated using the Free Energy Perturbation (FEP) method. The free energy gain associated with the KH4–DNA complex formation has been found to be noticeably higher than that involving the formation of the KH3–DNA complex.

  5. Design of Chitosan and Its Water Soluble Derivatives-Based Drug Carriers with Polyelectrolyte Complexes

    OpenAIRE

    Wu, Qing-Xi; Lin, Dong-Qiang; Yao, Shan-Jing

    2014-01-01

    Chitosan, the cationic polysaccharide derived from the natural polysaccharide chitin, has been studied as a biomaterial for more than two decades. As a polycationic polymer with favorable properties, it has been widely used to form polyelectrolyte complexes with polyanions for various applications in drug delivery fields. In recent years, a growing number of studies have been focused on the preparation of polyelectrolyte complexes based on chitosan and its water soluble derivatives. They have...

  6. Preparation and characterization of complexes of RE3+ with furfural modified water-soluble chitosan

    Institute of Scientific and Technical Information of China (English)

    WANG Maoyuan; QIU Ligan; MA Guilin

    2008-01-01

    Degraded chitosan, with highly water-solubility, was obtained by the oxidation of chitosan with H2O2, and then reacted with furfural The final product coordinated with the rare earth ions (RE3+ = Sm3+,Eu3+), which led to the formation of the complexes. The prepared complexes were characterized with Inflated Spectroscopy (IR), Ultra Violet (UV), fluorescence, X-Ray Diffraction (XRD), and Thermogravimetric-Differential Scanning Calorimetry (TG-DSC) measurements.

  7. Management of complex multi-reservoir water distribution systems using advanced control theoretic tools and techniques

    CERN Document Server

    Chmielowski, Wojciech Z

    2013-01-01

    This study discusses issues of optimal water management in a complex distribution system. The main elements of the water-management system under consideration are retention reservoirs, among which water transfers are possible, and a network of connections between these reservoirs and water treatment plants (WTPs). System operation optimisation involves determining the proper water transport routes and their flow volumes from the retention reservoirs to the WTPs, and the volumes of possible transfers among the reservoirs, taking into account transport-related delays for inflows, outflows and water transfers in the system. Total system operation costs defined by an assumed quality coefficient should be minimal. An analytical solution of the optimisation task so formulated has been obtained as a result of using Pontriagin’s maximum principle with reference to the quality coefficient assumed. Stable start and end conditions in reservoir state trajectories have been assumed. The researchers have taken into accou...

  8. Complex network analysis of phase dynamics underlying oil-water two-phase flows

    Science.gov (United States)

    Gao, Zhong-Ke; Zhang, Shan-Shan; Cai, Qing; Yang, Yu-Xuan; Jin, Ning-De

    2016-01-01

    Characterizing the complicated flow behaviors arising from high water cut and low velocity oil-water flows is an important problem of significant challenge. We design a high-speed cycle motivation conductance sensor and carry out experiments for measuring the local flow information from different oil-in-water flow patterns. We first use multivariate time-frequency analysis to probe the typical features of three flow patterns from the perspective of energy and frequency. Then we infer complex networks from multi-channel measurements in terms of phase lag index, aiming to uncovering the phase dynamics governing the transition and evolution of different oil-in-water flow patterns. In particular, we employ spectral radius and weighted clustering coefficient entropy to characterize the derived unweighted and weighted networks and the results indicate that our approach yields quantitative insights into the phase dynamics underlying the high water cut and low velocity oil-water flows. PMID:27306101

  9. A framework for unravelling the complexities of unsustainable water resource use

    Science.gov (United States)

    Dermody, Brian; Bierkens, Marc; Wassen, Martin; Dekker, Stefan

    2016-04-01

    The majority of unsustainable water resource use is associated with food production, with the agricultural sector accounting for up to 70% of total freshwater use by humans. Water resource use in food production emerges as a result of dynamic interactions between humans and their environment in importing and exporting regions as well as the physical and socioeconomic trade infrastructure linking the two. Thus in order to understand unsustainable water resource use, it is essential to understand the complex socioecological food production and trade system. We present a modelling framework of the food production and trade system that facilitates an understanding of complex socioenvironmental processes that lead to unsustainable water resource use. Our framework is based on a coupling of the global hydrological model PC Raster Global Water Balance (PCR-GLOBWB) with a multi-agent socioeconomic food production and trade network. In our framework, agents perceive environmental conditions. They make food supply decisions based upon those perceptions and the heterogeneous socioeconomic conditions in which they exist. Agent decisions modify land and water resources. Those environmental changes feedback to influence decision making further. The framework presented has the potential to go beyond a diagnosis of the causes of unsustainable water resource and provide pathways towards a sustainable food system in terms of water resources.

  10. Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions.

    Science.gov (United States)

    Li, Isaac T S; Walker, Gilbert C

    2010-05-12

    The hydrophobic interaction is significantly responsible for driving protein folding and self-assembly. To understand it, the thermodynamics, the role of water structure, the dewetting process surrounding hydrophobes, and related aspects have undergone extensive investigations. Here, we examine the hypothesis that polymer-solvent interfacial free energy is adequate to describe the energetics of the collapse of a hydrophobic homopolymer chain at fixed temperature, which serves as a much simplified model for studying the hydrophobic collapse of a protein. This implies that changes in polymer-solvent interfacial free energy should be directly proportional to the force to extend a collapsed polymer into a bad solvent. To test this hypothesis, we undertook single-molecule force spectroscopy on a collapsed, single, polystyrene chain in water-ethanol and water-salt mixtures where we measured the monomer solvation free energy from an ensemble average conformations. Different proportions within the binary mixture were used to create solvents with different interfacial free energies with polystyrene. In these mixed solvents, we observed a linear correlation between the interfacial free energy and the force required to extend the chain into solution, which is a direct measure of the solvation free energy per monomer on a single chain at room temperature. A simple analytical model compares favorably with the experimental results. This knowledge supports a common assumption that explicit water solvent may not be necessary for cases whose primary concerns are hydrophobic interactions and hydrophobic hydration.

  11. Terbutaline causes immobilization of single β2-adrenergic receptor-ligand complexes in the plasma membrane of living A549 cells as revealed by single-molecule microscopy

    Science.gov (United States)

    Sieben, Anne; Kaminski, Tim; Kubitscheck, Ulrich; Häberlein, Hanns

    2011-02-01

    G-protein-coupled receptors are important targets for various drugs. After signal transduction, regulatory processes, such as receptor desensitization and internalization, change the lateral receptor mobility. In order to study the lateral diffusion of β2-adrenergic receptors (β2AR) complexed with fluorescently labeled noradrenaline (Alexa-NA) in plasma membranes of A549 cells, trajectories of single receptor-ligand complexes were monitored using single-particle tracking. We found that a fraction of 18% of all β2ARs are constitutively immobile. About 2/3 of the β2ARs moved with a diffusion constant of D2 = 0.03+/-0.001 μm2/s and about 17% were diffusing five-fold faster (D3 = 0.15+/-0.02 μm2/s). The mobile receptors moved within restricted domains and also showed a discontinuous diffusion behavior. Analysis of the trajectory lengths revealed two different binding durations with τ1 = 77+/-1 ms and τ2 = 388+/-11 ms. Agonistic stimulation of the β2AR-Alexa-NA complexes with 1 μM terbutaline caused immobilization of almost 50% of the receptors within 35 min. Simultaneously, the mean area covered by the mobile receptors decreased significantly. Thus, we demonstrated that agonistic stimulation followed by cell regulatory processes results in a change in β2AR mobility suggesting that different receptor dynamics characterize different receptor states.

  12. Lanthanide complexes that respond to changes in cyanide concentration in water

    International Nuclear Information System (INIS)

    Routledge, Jack D.; Zhang, Xuejian; Connolly, Michael; Tropiano, Manuel; Blackburn, Octavia A.; Beer, Paul D.; Aldridge, Simon; Faulkner, Stephen; Kenwright, Alan M.

    2017-01-01

    Cyanide ions are shown to interact with lanthanide complexes of phenacylDO3A derivatives in aqueous solution, giving rise to changes in the luminescence and NMR spectra. These changes are the consequence of cyanohydrin formation, which is favored by the coordination of the phenacyl carbonyl group to the lanthanide center. These complexes display minimal affinity for fluoride and can detect cyanide at concentrations less than 1 μm. By contrast, lanthanide complexes with DOTAM derivatives display no affinity for cyanide in water, but respond to changes in fluoride concentration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Lanthanide complexes that respond to changes in cyanide concentration in water

    Energy Technology Data Exchange (ETDEWEB)

    Routledge, Jack D.; Zhang, Xuejian; Connolly, Michael; Tropiano, Manuel; Blackburn, Octavia A.; Beer, Paul D.; Aldridge, Simon; Faulkner, Stephen [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford (United Kingdom); Kenwright, Alan M. [Department of Chemistry, Durham University (United Kingdom)

    2017-06-26

    Cyanide ions are shown to interact with lanthanide complexes of phenacylDO3A derivatives in aqueous solution, giving rise to changes in the luminescence and NMR spectra. These changes are the consequence of cyanohydrin formation, which is favored by the coordination of the phenacyl carbonyl group to the lanthanide center. These complexes display minimal affinity for fluoride and can detect cyanide at concentrations less than 1 μm. By contrast, lanthanide complexes with DOTAM derivatives display no affinity for cyanide in water, but respond to changes in fluoride concentration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Single-file water as a one-dimensional Ising model

    Energy Technology Data Exchange (ETDEWEB)

    Koefinger, Juergen [Laboratory of Chemical Physics, Bldg 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892 (United States); Dellago, Christoph, E-mail: koefingerj@mail.nih.go [Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria)

    2010-09-15

    We show that single-file water in nanopores can be viewed as a one-dimensional (1D) Ising model, and we investigate, on the basis of this, the static dielectric response of a chain of hydrogen-bonded water molecules to an external field. To achieve this, we use a recently developed dipole lattice model that accurately captures the free energetics of nanopore water. In this model, the total energy of the system can be expressed as the sum of the effective interactions of chain ends and orientational defects. Neglecting these interactions, we essentially obtain the 1D Ising model, which allows us to derive analytical expressions for the free energy as a function of the total dipole moment and for the dielectric susceptibility. Our expressions, which agree very well with simulation results, provide the basis for the interpretation of future dielectric spectroscopy experiments on water-filled nanopore membranes.

  15. Humic substances in natural waters and their complexation with trace metals and radionuclides: a review

    International Nuclear Information System (INIS)

    Boggs, S. Jr.; Livermore, D.; Seitz, M.G.

    1985-07-01

    Dissolved humic substances (humic and fulvic acids) occur in surface waters and groundwaters in concentrations ranging from less than 1 mg(C)/L to more than 100 mg(C)/L. Humic substances are strong complexing agents for many trace metals in the environment and are also capable of forming stable soluble complexes or chelates with radionuclides. Concentrations of humic materials as low as 1 mg(C)/L can produce a detectable increase in the mobility of some actinide elements by forming soluble complexes that inhibit sorption of the radionuclides onto rock materials. The stability of trace metal- or radionuclide-organic complexes is commonly measured by an empirically determined conditional stability constant (K'), which is based on the ratio of complexed metal (radionuclide) in solution to the product concentration of uncomplexed metal and humic complexant. Larger values of stability constants indicate greater complex stability. The stability of radionuclide-organic complexes is affected both by concentration variables and envionmental factors. In general, complexing is favored by increased of radionuclide, increased pH, and decreased ionic strength. Actinide elements are generally most soluble in their higher oxidation states. Radionuclides can also form stable, insoluble complexes with humic materials that tend to reduce radionuclide mobility. These insoluble complexes may be radionuclide-humate colloids that subsequently precipitate from solution, or complexes of radionuclides and humic substances that sorb to clay minerals or other soil particulates strongly enough to immobilize the radionuclides. Colloid formation appears to be favored by increased radionuclide concentration and lowered pH; however, the conditions that favor formation of insoluble complexes that sorb to particulates are still poorly understood. 129 refs., 25 figs., 19 tabs

  16. Mycobacterium avium complex--the role of potable water in disease transmission.

    Science.gov (United States)

    Whiley, H; Keegan, A; Giglio, S; Bentham, R

    2012-08-01

    Mycobacterium avium complex (MAC) is a group of opportunistic pathogens of major public health concern. It is responsible for a wide spectrum of disease dependent on subspecies, route of infection and patients pre-existing conditions. Presently, there is limited research on the incidence of MAC infection that considers both pulmonary and other clinical manifestations. MAC has been isolated from various terrestrial and aquatic environments including natural waters, engineered water systems and soils. Identifying the specific environmental sources responsible for human infection is essential in minimizing disease prevalence. This paper reviews current literature and case studies regarding the wide spectrum of disease caused by MAC and the role of potable water in disease transmission. Potable water was recognized as a putative pathway for MAC infection. Contaminated potable water sources associated with human infection included warm water distribution systems, showers, faucets, household drinking water, swimming pools and hot tub spas. MAC can maintain long-term contamination of potable water sources through its high resistance to disinfectants, association with biofilms and intracellular parasitism of free-living protozoa. Further research is required to investigate the efficiency of water treatment processes against MAC and into construction and maintenance of warm water distribution systems and the role they play in MAC proliferation. No claim to Australian Government works Journal of Applied Microbiology © 2012 The Society for Applied Microbiology.

  17. Improved Algorithms for Accurate Retrieval of UV - Visible Diffuse Attenuation Coefficients in Optically Complex, Inshore Waters

    Science.gov (United States)

    Cao, Fang; Fichot, Cedric G.; Hooker, Stanford B.; Miller, William L.

    2014-01-01

    Photochemical processes driven by high-energy ultraviolet radiation (UVR) in inshore, estuarine, and coastal waters play an important role in global bio geochemical cycles and biological systems. A key to modeling photochemical processes in these optically complex waters is an accurate description of the vertical distribution of UVR in the water column which can be obtained using the diffuse attenuation coefficients of down welling irradiance (Kd()). The Sea UV Sea UVc algorithms (Fichot et al., 2008) can accurately retrieve Kd ( 320, 340, 380,412, 443 and 490 nm) in oceanic and coastal waters using multispectral remote sensing reflectances (Rrs(), Sea WiFS bands). However, SeaUVSeaUVc algorithms are currently not optimized for use in optically complex, inshore waters, where they tend to severely underestimate Kd(). Here, a new training data set of optical properties collected in optically complex, inshore waters was used to re-parameterize the published SeaUVSeaUVc algorithms, resulting in improved Kd() retrievals for turbid, estuarine waters. Although the updated SeaUVSeaUVc algorithms perform best in optically complex waters, the published SeaUVSeaUVc models still perform well in most coastal and oceanic waters. Therefore, we propose a composite set of SeaUVSeaUVc algorithms, optimized for Kd() retrieval in almost all marine systems, ranging from oceanic to inshore waters. The composite algorithm set can retrieve Kd from ocean color with good accuracy across this wide range of water types (e.g., within 13 mean relative error for Kd(340)). A validation step using three independent, in situ data sets indicates that the composite SeaUVSeaUVc can generate accurate Kd values from 320 490 nm using satellite imagery on a global scale. Taking advantage of the inherent benefits of our statistical methods, we pooled the validation data with the training set, obtaining an optimized composite model for estimating Kd() in UV wavelengths for almost all marine waters. This

  18. Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

    International Nuclear Information System (INIS)

    Liu, Jian; Li, Xi-Bo; Wang, Da; Liu, Li-Min; Lau, Woon-Ming; Peng, Ping

    2014-01-01

    The family of bulk metal phosphorus trichalcogenides (APX 3 , A = M II , M 0.5 I M 0.5 III ; X = S, Se; M I , M II , and M III represent Group-I, Group-II, and Group-III metals, respectively) has attracted great attentions because such materials not only own magnetic and ferroelectric properties, but also exhibit excellent properties in hydrogen storage and lithium battery because of the layered structures. Many layered materials have been exfoliated into two-dimensional (2D) materials, and they show distinct electronic properties compared with their bulks. Here we present a systematical study of single-layer metal phosphorus trichalcogenides by density functional theory calculations. The results show that the single layer metal phosphorus trichalcogenides have very low formation energies, which indicates that the exfoliation of single layer APX 3 should not be difficult. The family of single layer metal phosphorus trichalcogenides exhibits a large range of band gaps from 1.77 to 3.94 eV, and the electronic structures are greatly affected by the metal or the chalcogenide atoms. The calculated band edges of metal phosphorus trichalcogenides further reveal that single-layer ZnPSe 3 , CdPSe 3 , Ag 0.5 Sc 0.5 PSe 3 , and Ag 0.5 In 0.5 PX 3 (X = S and Se) have both suitable band gaps for visible-light driving and sufficient over-potentials for water splitting. More fascinatingly, single-layer Ag 0.5 Sc 0.5 PSe 3 is a direct band gap semiconductor, and the calculated optical absorption further convinces that such materials own outstanding properties for light absorption. Such results demonstrate that the single layer metal phosphorus trichalcogenides own high stability, versatile electronic properties, and high optical absorption, thus such materials have great chances to be high efficient photocatalysts for water-splitting

  19. Extraction of tributyltin and triphenyltin across a single oil droplet/water interface

    International Nuclear Information System (INIS)

    Chikama, Katsumi; Negishi, Takayuki; Nakatani, Kiyoharu

    2004-01-01

    Tributyltin (TBT + ) and triphenyltin (TPT + ) were extracted with merocyanine 540 (MC - ) from water into a 1,6-dichlorohexane droplet with the radius of 40 μm and the absorption spectra of MC - were measured by a single microdroplet manipulation and microabsorption technique. The mass transfer rate and the partitioning ratio of MC - were characteristically influenced by the TBT + , TPT + , MC - , and Cl - concentrations in water. The ion pair extraction processes of the organotin compounds with the anions were discussed in terms of the ion transfer and adsorption-desorption of the solutes

  20. Extraction of tributyltin and triphenyltin across a single oil droplet/water interface

    Energy Technology Data Exchange (ETDEWEB)

    Chikama, Katsumi; Negishi, Takayuki; Nakatani, Kiyoharu

    2004-07-01

    Tributyltin (TBT{sup +}) and triphenyltin (TPT{sup +}) were extracted with merocyanine 540 (MC{sup -}) from water into a 1,6-dichlorohexane droplet with the radius of 40 {mu}m and the absorption spectra of MC{sup -} were measured by a single microdroplet manipulation and microabsorption technique. The mass transfer rate and the partitioning ratio of MC{sup -} were characteristically influenced by the TBT{sup +}, TPT{sup +}, MC{sup -}, and Cl{sup -} concentrations in water. The ion pair extraction processes of the organotin compounds with the anions were discussed in terms of the ion transfer and adsorption-desorption of the solutes.

  1. TTT and PIKK Complex Genes Reverted to Single Copy Following Polyploidization and Retain Function Despite Massive Retrotransposition in Maize.

    Science.gov (United States)

    Garcia, Nelson; Messing, Joachim

    2017-01-01

    The TEL2, TTI1, and TTI2 proteins are co-chaperones for heat shock protein 90 (HSP90) to regulate the protein folding and maturation of phosphatidylinositol 3-kinase-related kinases (PIKKs). Referred to as the TTT complex, the genes that encode them are highly conserved from man to maize. TTT complex and PIKK genes exist mostly as single copy genes in organisms where they have been characterized. Members of this interacting protein network in maize were identified and synteny analyses were performed to study their evolution. Similar to other species, there is only one copy of each of these genes in maize which was due to a loss of the duplicated copy created by ancient allotetraploidy. Moreover, the retained copies of the TTT complex and the PIKK genes tolerated extensive retrotransposon insertion in their introns that resulted in increased gene lengths and gene body methylation, without apparent effect in normal gene expression and function. The results raise an interesting question on whether the reversion to single copy was due to selection against deleterious unbalanced gene duplications between members of the complex as predicted by the gene balance hypothesis, or due to neutral loss of extra copies. Uneven alteration of dosage either by adding extra copies or modulating gene expression of complex members is being proposed as a means to investigate whether the data supports the gene balance hypothesis or not.

  2. In Planta Single-Molecule Pull-Down Reveals Tetrameric Stoichiometry of HD-ZIPIII:LITTLE ZIPPER Complexes.

    Science.gov (United States)

    Husbands, Aman Y; Aggarwal, Vasudha; Ha, Taekjip; Timmermans, Marja C P

    2016-08-01

    Deciphering complex biological processes markedly benefits from approaches that directly assess the underlying biomolecular interactions. Most commonly used approaches to monitor protein-protein interactions typically provide nonquantitative readouts that lack statistical power and do not yield information on the heterogeneity or stoichiometry of protein complexes. Single-molecule pull-down (SiMPull) uses single-molecule fluorescence detection to mitigate these disadvantages and can quantitatively interrogate interactions between proteins and other compounds, such as nucleic acids, small molecule ligands, and lipids. Here, we establish SiMPull in plants using the HOMEODOMAIN LEUCINE ZIPPER III (HD-ZIPIII) and LITTLE ZIPPER (ZPR) interaction as proof-of-principle. Colocalization analysis of fluorophore-tagged HD-ZIPIII and ZPR proteins provides strong statistical evidence of complex formation. In addition, we use SiMPull to directly quantify YFP and mCherry maturation probabilities, showing these differ substantially from values obtained in mammalian systems. Leveraging these probabilities, in conjunction with fluorophore photobleaching assays on over 2000 individual complexes, we determined HD-ZIPIII:ZPR stoichiometry. Intriguingly, these complexes appear as heterotetramers, comprising two HD-ZIPIII and two ZPR molecules, rather than heterodimers as described in the current model. This surprising result raises new questions about the regulation of these key developmental factors and is illustrative of the unique contribution SiMPull is poised to make to in planta protein interaction studies. © 2016 American Society of Plant Biologists. All rights reserved.

  3. TTT and PIKK Complex Genes Reverted to Single Copy Following Polyploidization and Retain Function Despite Massive Retrotransposition in Maize

    Directory of Open Access Journals (Sweden)

    Nelson Garcia

    2017-11-01

    Full Text Available The TEL2, TTI1, and TTI2 proteins are co-chaperones for heat shock protein 90 (HSP90 to regulate the protein folding and maturation of phosphatidylinositol 3-kinase-related kinases (PIKKs. Referred to as the TTT complex, the genes that encode them are highly conserved from man to maize. TTT complex and PIKK genes exist mostly as single copy genes in organisms where they have been characterized. Members of this interacting protein network in maize were identified and synteny analyses were performed to study their evolution. Similar to other species, there is only one copy of each of these genes in maize which was due to a loss of the duplicated copy created by ancient allotetraploidy. Moreover, the retained copies of the TTT complex and the PIKK genes tolerated extensive retrotransposon insertion in their introns that resulted in increased gene lengths and gene body methylation, without apparent effect in normal gene expression and function. The results raise an interesting question on whether the reversion to single copy was due to selection against deleterious unbalanced gene duplications between members of the complex as predicted by the gene balance hypothesis, or due to neutral loss of extra copies. Uneven alteration of dosage either by adding extra copies or modulating gene expression of complex members is being proposed as a means to investigate whether the data supports the gene balance hypothesis or not.

  4. Capacity of waters in the Magela Creek system, Northern Territory, to complex copper and cadmium

    International Nuclear Information System (INIS)

    Hart, B.T.; Davies, S.H.R.

    1984-08-01

    Two methods were used to determine the concentrations of copper-binding ligand (complexing capacity) and conditional formation constants for waters collected from the Magela Creek system, Northern Territory. These data are particularly important in estimating the concentrations of toxic forms of copper that may result from particular effluent discharge strategies from the Ranger uranium operation

  5. Molecular details of ovalbumin-pectin complexes at the air/water interface: A spectroscopic study

    NARCIS (Netherlands)

    Kudryashova, E.V.; Visser, A.J.W.G.; Hoek, A. van; Jongh, H.H.J. de

    2007-01-01

    To stabilize air-water interfaces, as in foams, the adsorption of surface-active components is a prerequisite. An approach to controlling the surface activity of proteins is noncovalent complex formation with a polyelectrolyte in the bulk phase. The molecular properties of egg white ovalbumin in a

  6. Molecular details of ovalbumin-pectin complexes at the air/water interface: a spectroscopic study.

    NARCIS (Netherlands)

    Kudryashova, E.V.; Visser, A.J.W.G.; Hoek, van A.; Jongh, de H.H.J.

    2007-01-01

    To stabilize air-water interfaces, as in foams, the adsorption of surface-active components is a prerequisite. An approach to controlling the surface activity of proteins is noncovalent complex formation with a polyelectrolyte in the bulk phase. The molecular properties of egg white ovalbumin in a

  7. EFFECTS OF A COASTAL GOLF COMPLEX ON WATER QUALITY, PERIPHYTON, AND SEAGRASS.

    Science.gov (United States)

    The objective of this study was to determine the effects of a golf course complex on water quality, colonized periphyton and seagrass meadows in adjacent freshwater, near-coastal and wetland areas. The environmental impact of the recreational facility, which uses spray wastewater...

  8. Tunable complex-valued multi-tap microwave photonic filter based on single silicon-on-insulator microring resonator.

    Science.gov (United States)

    Lloret, Juan; Sancho, Juan; Pu, Minhao; Gasulla, Ivana; Yvind, Kresten; Sales, Salvador; Capmany, José

    2011-06-20

    A complex-valued multi-tap tunable microwave photonic filter based on single silicon-on-insulator microring resonator is presented. The degree of tunability of the approach involving two, three and four taps is theoretical and experimentally characterized, respectively. The constraints of exploiting the optical phase transfer function of a microring resonator aiming at implementing complex-valued multi-tap filtering schemes are also reported. The trade-off between the degree of tunability without changing the free spectral range and the number of taps is studied in-depth. Different window based scenarios are evaluated for improving the filter performance in terms of the side-lobe level.

  9. Remote sensing reflectance simulation of coastal optical complex water in the East China Sea

    Science.gov (United States)

    He, Shuo; Lou, Xiulin; Zhang, Huaguo; Zheng, Gang

    2018-02-01

    In this work, remote sensing reflectance (Rrs) spectra of the Zhejiang coastal water in the East China Sea (ECS) were simulated by using the Hydrolight software with field data as input parameters. The seawater along the Zhejiang coast is typical Case II water with complex optical properties. A field observation was conducted in the Zhejiang coastal region in late May of 2016, and the concentration of ocean color constituents (pigment, SPM and CDOM), IOPs (absorption and backscattering coefficients) and Rrs were measured at 24 stations of 3 sections covering the turbid to clear inshore coastal waters. Referring to these ocean color field data, an ocean color model suitable for the Zhejiang coastal water was setup and applied in the Hydrolight. A set of 11 remote sensing reflectance spectra above water surface were modeled and calculated. Then, the simulated spectra were compared with the filed measurements. Finally, the spectral shape and characteristics of the remote sensing reflectance spectra were analyzed and discussed.

  10. Hygienic evaluation of repurification schemes for waste waters containing complexes for organic substances

    Energy Technology Data Exchange (ETDEWEB)

    Bulgakov, R G

    1983-01-01

    Sanitary-chemical and sanitary-toxicological methods were used to study two repurification schemes for biologically purified waste waters from a petrochemical industrial complex. These repurification schemes were, (1) filtration through quartz sand, adsorption to activated charcoal, chlorination; (2) coagulation, filtration through quartz sand, adsorption to activated charcoal, chlorination. Both repurification schemes considerably improved the composition and properties of the waste waters in terms of organoleptic and sanitary-chemical indices. Scheme 1 also considerably lowered the toxic properties of the waste waters and Scheme 2 abolished them completely. Provided that the corresponding sanitary norms are observed, the use of repurification Scheme 1 would be economically reasonable where repurified waste water is recirculated in the industrial plant. Repurification Scheme 2 is recommended where purified waste water is disposed into low-capacity reservoirs.

  11. Max-min SINR low complexity transceiver design for single cell massive MIMO

    KAUST Repository

    Sifaou, Houssem; Kammoun, Abla; Sanguinetti, Luca; Debbah, Mé rouane; Alouini, Mohamed-Slim

    2016-01-01

    This work focuses on large scale multi-user MIMO systems in which the base station (BS) outfitted with M antennas communicates with K single antenna user equipments (UEs). In particular, we aim at designing the linear precoder and receiver

  12. Water oxidation catalysis with nonheme iron complexes under acidic and basic conditions: homogeneous or heterogeneous?

    Science.gov (United States)

    Hong, Dachao; Mandal, Sukanta; Yamada, Yusuke; Lee, Yong-Min; Nam, Wonwoo; Llobet, Antoni; Fukuzumi, Shunichi

    2013-08-19

    Thermal water oxidation by cerium(IV) ammonium nitrate (CAN) was catalyzed by nonheme iron complexes, such as Fe(BQEN)(OTf)2 (1) and Fe(BQCN)(OTf)2 (2) (BQEN = N,N'-dimethyl-N,N'-bis(8-quinolyl)ethane-1,2-diamine, BQCN = N,N'-dimethyl-N,N'-bis(8-quinolyl)cyclohexanediamine, OTf = CF3SO3(-)) in a nonbuffered aqueous solution; turnover numbers of 80 ± 10 and 20 ± 5 were obtained in the O2 evolution reaction by 1 and 2, respectively. The ligand dissociation of the iron complexes was observed under acidic conditions, and the dissociated ligands were oxidized by CAN to yield CO2. We also observed that 1 was converted to an iron(IV)-oxo complex during the water oxidation in competition with the ligand oxidation. In addition, oxygen exchange between the iron(IV)-oxo complex and H2(18)O was found to occur at a much faster rate than the oxygen evolution. These results indicate that the iron complexes act as the true homogeneous catalyst for water oxidation by CAN at low pHs. In contrast, light-driven water oxidation using [Ru(bpy)3](2+) (bpy = 2,2'-bipyridine) as a photosensitizer and S2O8(2-) as a sacrificial electron acceptor was catalyzed by iron hydroxide nanoparticles derived from the iron complexes under basic conditions as the result of the ligand dissociation. In a buffer solution (initial pH 9.0) formation of the iron hydroxide nanoparticles with a size of around 100 nm at the end of the reaction was monitored by dynamic light scattering (DLS) in situ and characterized by X-ray photoelectron spectra (XPS) and transmission electron microscope (TEM) measurements. We thus conclude that the water oxidation by CAN was catalyzed by short-lived homogeneous iron complexes under acidic conditions, whereas iron hydroxide nanoparticles derived from iron complexes act as a heterogeneous catalyst in the light-driven water oxidation reaction under basic conditions.

  13. Design of Chitosan and Its Water Soluble Derivatives-Based Drug Carriers with Polyelectrolyte Complexes

    Directory of Open Access Journals (Sweden)

    Qing-Xi Wu

    2014-12-01

    Full Text Available Chitosan, the cationic polysaccharide derived from the natural polysaccharide chitin, has been studied as a biomaterial for more than two decades. As a polycationic polymer with favorable properties, it has been widely used to form polyelectrolyte complexes with polyanions for various applications in drug delivery fields. In recent years, a growing number of studies have been focused on the preparation of polyelectrolyte complexes based on chitosan and its water soluble derivatives. They have been considered well-suited as biomaterials for a number of vital drug carriers with targeted/controlled release profiles, e.g., films, capsules, microcapsules. In this work, an overview highlights not only the favorable properties of chitosan and its water soluble derivatives but also the good performance of the polyelectrolyte complexes produced based on chitosan. Their various types of applications as drug carriers are reviewed in detail.

  14. Design of chitosan and its water soluble derivatives-based drug carriers with polyelectrolyte complexes.

    Science.gov (United States)

    Wu, Qing-Xi; Lin, Dong-Qiang; Yao, Shan-Jing

    2014-12-19

    Chitosan, the cationic polysaccharide derived from the natural polysaccharide chitin, has been studied as a biomaterial for more than two decades. As a polycationic polymer with favorable properties, it has been widely used to form polyelectrolyte complexes with polyanions for various applications in drug delivery fields. In recent years, a growing number of studies have been focused on the preparation of polyelectrolyte complexes based on chitosan and its water soluble derivatives. They have been considered well-suited as biomaterials for a number of vital drug carriers with targeted/controlled release profiles, e.g., films, capsules, microcapsules. In this work, an overview highlights not only the favorable properties of chitosan and its water soluble derivatives but also the good performance of the polyelectrolyte complexes produced based on chitosan. Their various types of applications as drug carriers are reviewed in detail.

  15. Development and characterization of nanoparticulate formulation of a water soluble prodrug of dexamethasone by HIP complexation.

    Science.gov (United States)

    Gaudana, Ripal; Parenky, Ashwin; Vaishya, Ravi; Samanta, Swapan K; Mitra, Ashim K

    2011-01-01

    The objective of this study was to develop and characterize a nanoparticulate-based sustained release formulation of a water soluble dipeptide prodrug of dexamethasone, valine-valine-dexamethasone (VVD). Being hydrophilic in nature, it readily leaches out in the external aqueous medium and hence partitions poorly into the polymeric matrix resulting in minimal entrapment in nanoparticles. Hence, hydrophobic ion pairing (HIP) complexation of the prodrug was employed with dextran sulphate as a complexing polymer. A novel, solid in oil in water emulsion method was employed to encapsulate the prodrug in HIP complex form in poly(lactic-co-glycolic acid) matrix. Nanoparticles were characterized with respect to size, zeta potential, crystallinity of entrapped drug and surface morphology. A significant enhancement in the entrapment of the prodrug in nanoparticles was achieved. Finally, a simple yet novel method was developed which can also be applicable to encapsulate other charged hydrophilic molecules, such as peptides and proteins.

  16. Design of Chitosan and Its Water Soluble Derivatives-Based Drug Carriers with Polyelectrolyte Complexes

    Science.gov (United States)

    Wu, Qing-Xi; Lin, Dong-Qiang; Yao, Shan-Jing

    2014-01-01

    Chitosan, the cationic polysaccharide derived from the natural polysaccharide chitin, has been studied as a biomaterial for more than two decades. As a polycationic polymer with favorable properties, it has been widely used to form polyelectrolyte complexes with polyanions for various applications in drug delivery fields. In recent years, a growing number of studies have been focused on the preparation of polyelectrolyte complexes based on chitosan and its water soluble derivatives. They have been considered well-suited as biomaterials for a number of vital drug carriers with targeted/controlled release profiles, e.g., films, capsules, microcapsules. In this work, an overview highlights not only the favorable properties of chitosan and its water soluble derivatives but also the good performance of the polyelectrolyte complexes produced based on chitosan. Their various types of applications as drug carriers are reviewed in detail. PMID:25532565

  17. Single-phase flow and flow boiling of water in horizontal rectangular microchannels

    OpenAIRE

    Mirmanto

    2013-01-01

    This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University The current study is part of a long term experimental project devoted to investigating single-phase flow pressure drop and heat transfer, flow boiling pressure drop and heat transfer, flow boiling instability and flow visualization of de-ionized water flow in microchannels. The experimental facility was first designed and constructed by S. Gedupudi (2009) and in the present study; ...

  18. Analysis of sorption into single ODS-silica gel microparticles in acetonitrile-water.

    Science.gov (United States)

    Nakatani, Kiyoharu; Kakizaki, Hiroshi

    2003-08-01

    Intraparticle mass transfer processes of Phenol Blue (PB) in single octadecylsilyl (ODS)-silica gel microparticles in acetonitrile-water were analyzed by microcapillary manipulation and microabsorption methods. An absorption maximum of PB, the sorption isotherm parameters, and the sorption rate in the microparticle system were highly dependent on the percentage of acetonitrile in solution. The results are discussed in terms of the microscopic polarity surrounding PB in the ODS phase and the relationship between the isotherm parameters and the sorption rate.

  19. Managing the Drivers of Air Flow and Water Vapor Transport in Existing Single-Family Homes

    Energy Technology Data Exchange (ETDEWEB)

    Cummings, James [Building America Partnership for Improved Residential Construction (BA-PIRC), Cocoa, FL (United States); Withers, Charles [Building America Partnership for Improved Residential Construction (BA-PIRC), Cocoa, FL (United States); Martin, Eric [Building America Partnership for Improved Residential Construction (BA-PIRC), Cocoa, FL (United States); Moyer, Neil [Building America Partnership for Improved Residential Construction (BA-PIRC), Cocoa, FL (United States)

    2012-10-01

    This report is a revision of an earlier report titled: Measure Guideline: Managing the Drivers of Air Flow and Water Vapor Transport in Existing Single-Family Homes. Revisions include: Information in the text box on page 1 was revised to reflect the most accurate information regarding classifications as referenced in the 2012 International Residential Code. “Measure Guideline” was dropped from the title of the report. An addition was made to the reference list.

  20. Pressure transient analysis in single and two-phase water by finite difference methods

    International Nuclear Information System (INIS)

    Berry, G.F.; Daley, J.G.

    1977-01-01

    An important consideration in the design of LMFBR steam generators is the possibility of leakage from a steam generator water tube. The ensuing sodium/water reaction will be largely controlled by the amount of water available at the leak site, thus analysis methods treating this event must have the capability of accurately modeling pressure transients through all states of water occurring in a steam generator, whether single or two-phase. The equation systems of the present model consist of the conservation equations together with an equation of state for one-dimensional homogeneous flow. These equations are then solved using finite difference techniques with phase considerations and non-equilibrium effects being treated through the equation of state. The basis for water property computation is Keenan's 'fundamental equation of state' which is applicable to single-phase water at pressures less than 1000 bars and temperatures less than 1300 0 C. This provides formulations allowing computation of any water property to any desired precision. Two-phase properties are constructed from values on the saturation line. The use of formulations permits the direct calculation of any thermodynamic property (or property derivative) to great precision while requiring very little computer storage, but does involve considerable computation time. For this reason an optional calculation scheme based on the method of 'transfinite interpolation' is included to give rapid computation in selected regions with decreased precision. The conservation equations were solved using the second order Lax-Wendroff scheme which includes wall friction, allows the formation of shocks and locally supersonic flow. Computational boundary conditions were found from a method-of-characteristics solution at the reservoir and receiver ends. The local characteristics were used to interpolate data from inside the pipe to the boundary

  1. A single cognitive heuristic process meets the complexity of domain-specific moral heuristics.

    Science.gov (United States)

    Dubljević, Veljko; Racine, Eric

    2014-10-01

    The inherence heuristic (a) offers modest insights into the complex nature of both the is-ought tension in moral reasoning and moral reasoning per se, and (b) does not reflect the complexity of domain-specific moral heuristics. Formal and general in nature, we contextualize the process described as "inherence heuristic" in a web of domain-specific heuristics (e.g., agent specific; action specific; consequences specific).

  2. Phenomenological model to fit complex permittivity data of water from radio to optical frequencies.

    Science.gov (United States)

    Shubitidze, Fridon; Osterberg, Ulf

    2007-04-01

    A general factorized form of the dielectric function together with a fractional model-based parameter estimation method is used to provide an accurate analytical formula for the complex refractive index in water for the frequency range 10(8)-10(16)Hz . The analytical formula is derived using a combination of a microscopic frequency-dependent rational function for adjusting zeros and poles of the dielectric dispersion together with the macroscopic statistical Fermi-Dirac distribution to provide a description of both the real and imaginary parts of the complex permittivity for water. The Fermi-Dirac distribution allows us to model the dramatic reduction in the imaginary part of the permittivity in the visible window of the water spectrum.

  3. Outcomes of the single-stent versus kissing-stents technique in asymmetric complex aortoiliac bifurcation lesions.

    Science.gov (United States)

    Suh, Yongsung; Ko, Young-Guk; Shin, Dong-Ho; Kim, Jung-Sun; Kim, Byeong-Keuk; Choi, Donghoon; Hong, Myeong-Ki; Jang, Yangsoo

    2015-07-01

    This study investigated the outcomes of single-stent vs kissing-stents techniques in asymmetric complex aortoiliac bifurcation (ACAB) lesions. We retrospectively investigated 80 consecutive patients (69 males, 66.6 ± 8.7 years) treated with a single stent and 30 patients (26 males, 67.1 ± 7.7 years) treated with kissing stents for ACAB between January 2005 and December 2012 from a single-center cohort. A ACAB lesion was defined as a symptomatic unilateral common iliac artery stenosis (>50%) combined with intermediate stenosis (30%-50%) in the contralateral common iliac artery ostium. The primary end point was the primary patency of the ACAB. The baseline clinical characteristics did not differ significantly between the single-stent and the kissing-stents group. Technical success was achieved in all patients. The single-stent group required fewer stents (1.3 ± 0.5 vs 2.3 ± 0.8; P stent group (3%) required bailout kissing stents because of plaque shift to the contralateral side. The major complication rates were 8% in single-stent vs 13% in the kissing-stent group, which was similar (P = .399). At 3 years, the single-stent and kissing-stents group had similar rates of primary patency (89% vs 87%; P = .916) and target lesion revascularization-free survival (93% vs 87%; P = .462). The single-stent technique in ACAB was safe and showed midterm outcomes comparable with those of kissing stents. Considering the benefits, such as fewer stents, less bilateral femoral access, and the availability of contralateral access for future intervention, the single-stent technique may be an advantageous treatment option in ACAB. Copyright © 2015 Society for Vascular Surgery. Published by Elsevier Inc. All rights reserved.

  4. AMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics

    Science.gov (United States)

    Labbé, Céline M.; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O.; Pajeva, Ilza

    2017-01-01

    Abstract AMMOS2 is an interactive web server for efficient computational refinement of protein–small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein–ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein–ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein–ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein–ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein–ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein–ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. PMID:28486703

  5. AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.

    Science.gov (United States)

    Labbé, Céline M; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O; Pajeva, Ilza; Miteva, Maria A

    2017-07-03

    AMMOS2 is an interactive web server for efficient computational refinement of protein-small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein-ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein-ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein-ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein-ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein-ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein-ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  6. Thermal-Hydraulics analysis of pressurized water reactor core by using single heated channel model

    Directory of Open Access Journals (Sweden)

    Reza Akbari

    2017-08-01

    Full Text Available Thermal hydraulics of nuclear reactor as a basis of reactor safety has a very important role in reactor design and control. The thermal-hydraulic analysis provides input data to the reactor-physics analysis, whereas the latter gives information about the distribution of heat sources, which is needed to perform the thermal-hydraulic analysis. In this study single heated channel model as a very fast model for predicting thermal hydraulics behavior of pressurized water reactor core has been developed. For verifying the results of this model, we used RELAP5 code as US nuclear regulatory approved thermal hydraulics code. The results of developed single heated channel model have been checked with RELAP5 results for WWER-1000. This comparison shows the capability of single heated channel model for predicting thermal hydraulics behavior of reactor core.

  7. Single-footprint retrievals of temperature, water vapor and cloud properties from AIRS

    Science.gov (United States)

    Irion, Fredrick W.; Kahn, Brian H.; Schreier, Mathias M.; Fetzer, Eric J.; Fishbein, Evan; Fu, Dejian; Kalmus, Peter; Wilson, R. Chris; Wong, Sun; Yue, Qing

    2018-02-01

    Single-footprint Atmospheric Infrared Sounder spectra are used in an optimal estimation-based algorithm (AIRS-OE) for simultaneous retrieval of atmospheric temperature, water vapor, surface temperature, cloud-top temperature, effective cloud optical depth and effective cloud particle radius. In a departure from currently operational AIRS retrievals (AIRS V6), cloud scattering and absorption are in the radiative transfer forward model and AIRS single-footprint thermal infrared data are used directly rather than cloud-cleared spectra (which are calculated using nine adjacent AIRS infrared footprints). Coincident MODIS cloud data are used for cloud a priori data. Using single-footprint spectra improves the horizontal resolution of the AIRS retrieval from ˜ 45 to ˜ 13.5 km at nadir, but as microwave data are not used, the retrieval is not made at altitudes below thick clouds. An outline of the AIRS-OE retrieval procedure and information content analysis is presented. Initial comparisons of AIRS-OE to AIRS V6 results show increased horizontal detail in the water vapor and relative humidity fields in the free troposphere above the clouds. Initial comparisons of temperature, water vapor and relative humidity profiles with coincident radiosondes show good agreement. Future improvements to the retrieval algorithm, and to the forward model in particular, are discussed.

  8. Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting.

    Science.gov (United States)

    Ling, Chongyi; Shi, Li; Ouyang, Yixin; Zeng, Xiao Cheng; Wang, Jinlan

    2017-08-09

    Nanosheet supported single-atom catalysts (SACs) can make full use of metal atoms and yet entail high selectivity and activity, and bifunctional catalysts can enable higher performance while lowering the cost than two separate unifunctional catalysts. Supported single-atom bifunctional catalysts are therefore of great economic interest and scientific importance. Here, on the basis of first-principles computations, we report a design of the first single-atom bifunctional eletrocatalyst, namely, isolated nickel atom supported on β 12 boron monolayer (Ni 1 /β 12 -BM), to achieve overall water splitting. This nanosheet supported SAC exhibits remarkable electrocatalytic performance with the computed overpotential for oxygen/hydrogen evolution reaction being just 0.40/0.06 V. The ab initio molecular dynamics simulation shows that the SAC can survive up to 800 K elevated temperature, while enacting a high energy barrier of 1.68 eV to prevent isolated Ni atoms from clustering. A viable experimental route for the synthesis of Ni 1 /β 12 -BM SAC is demonstrated from computer simulation. The desired nanosheet supported single-atom bifunctional catalysts not only show great potential for achieving overall water splitting but also offer cost-effective opportunities for advancing clean energy technology.

  9. High-speed mapping of water isotopes and residence time in Cache Slough Complex, San Francisco Bay Delta, CA

    Data.gov (United States)

    Department of the Interior — Real-time, high frequency (1-second sample interval) GPS location, water quality, and water isotope (δ2H, δ18O) data was collected in the Cache Slough Complex (CSC),...

  10. Mechanism of falling water limitation in two-phase counter flow through single hole vertical channel

    International Nuclear Information System (INIS)

    Sudo, Yukio; Ohnuki, Akira

    1983-01-01

    In the safety evaluation at the time of loss coolant accident, which is a credible accident in LWRs, recently main effort has been concentrated to the optimum evaluation calculation, and the grasp of vapor-liquid two-phase flow phenomena has become important. As one of the important phenomena, there is the limitation of falling water in two-phase counter flow through a vertical channel. This phenomenon is divided into the limitation of falling water stored in an upper plenum to a core through an upper core-supporting plate and a tie plate at the time of reflooding, and the limitation of falling emergency core-cooling water in downcomer channels at the time of reflooding in PWRs, under the presence of rising steam flow. In both cases, the evaluation of the quantity of falling water is important, because it contributes directly to core cooling. In this research, in order to clarify the mechanism of limitation of falling water in two-phase vertical counter flow, first, two-phase flow of air-water system through a single-hole vertical channel was taken up, and the effect of main parameters was experimentally studied. At the same time, the theoretical investigation was performed, and the comparison with the experimental results obtained so far was carried out. The different mechanisms for short and long channels gave the good results. (Kako, I.)

  11. Platinum(II)-gadolinium(III) complexes as potential single-molecular theranostic agents for cancer treatment.

    Science.gov (United States)

    Zhu, Zhenzhu; Wang, Xiaoyong; Li, Tuanjie; Aime, Silvio; Sadler, Peter J; Guo, Zijian

    2014-11-24

    Theranostic agents are emerging multifunctional molecules capable of simultaneous therapy and diagnosis of diseases. We found that platinum(II)-gadolinium(III) complexes with the formula [{Pt(NH3)2Cl}2GdL](NO3)2 possess such properties. The Gd center is stable in solution and the cytoplasm, whereas the Pt centers undergo ligand substitution in cancer cells. The Pt units interact with DNA and significantly promote the cellular uptake of Gd complexes. The cytotoxicity of the Pt-Gd complexes is comparable to that of cisplatin at high concentrations (≥0.1 mM), and their proton relaxivity is higher than that of the commercial magnetic resonance imaging (MRI) contrast agent Gd-DTPA. T1-weighted MRI on B6 mice demonstrated that these complexes can reveal the accumulation of platinum drugs in vivo. Their cytotoxicity and imaging capabilities make the Pt-Gd complexes promising theranostic agents for cancer treatment. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Study on single-channel signals of water Cherenkov detector array for the LHAASO project

    Energy Technology Data Exchange (ETDEWEB)

    Li, H.C., E-mail: lihuicai@ihep.ac.cn [University of Nankai, Tianjin 300071 (China); Yao, Z.G.; Chen, M.J. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Yu, C.X. [University of Nankai, Tianjin 300071 (China); Zha, M.; Wu, H.R.; Gao, B.; Wang, X.J. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Liu, J.Y.; Liao, W.Y. [University of Nankai, Tianjin 300071 (China); Huang, D.Z. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2017-05-11

    The Large High Altitude Air Shower Observatory (LHAASO) is planned to be built at Daocheng, Sichuan Province, China. The water Cherenkov detector array (WCDA), with an area of 78,000 m{sup 2} and capacity of 350,000 tons of purified water, is one of the major components of the LHAASO project. A 9-cell detector prototype array has been built at the Yangbajing site, Tibet, China to comprehensively understand the water Cherenkov technique and investigate the engineering issues of WCDA. In this paper, the rate and charge distribution of single-channel signals are evaluated using a full detail Monte Carlo simulation. The results are discussed and compared with the results obtained with prototype array.

  13. A unique circular path of moving single bubble sonoluminescence in water

    International Nuclear Information System (INIS)

    Sadighi-Bonabi, Rasoul; Mirheydari, Mona; Ebrahimi, Homa; Rezaee, Nastaran; Nikzad, Lida

    2011-01-01

    Based on a quasi-adiabatic model, the parameters of the bubble interior for a moving single bubble sonoluminescence (m-SBSL) in water are calculated. By using a complete form of the hydrodynamic force, a unique circular path for the m-SBSL in water is obtained. The effect of the ambient pressure variation on the bubble trajectory is also investigated. It is concluded that as the ambient pressure increases, the bubble moves along a circular path with a larger radius and all bubble parameters, such as gas pressure, interior temperature and light intensity, increase. A comparison is made between the parameters of the moving bubble in water and those in N-methylformamide. With fluid viscosity increasing, the circular path changes into an elliptic form and the light intensity increases. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  14. Ultrafast single-molecule photonics: Excited state dynamics in coherently coupled complexes

    International Nuclear Information System (INIS)

    Hernando, Jordi; Hoogenboom, Jacob; Dijk, Erik van; Garcia-Parajo, Maria; Hulst, Niek F. van

    2008-01-01

    We present a single-molecule study on femtosecond dynamics in multichromophoric systems, combining fs pump-probe, emission-spectra and fluorescence-lifetime analysis. The ultrafast fs approach gives direct information on the initial exciton dynamics after excitation. The lifetime data show superradiance, a direct measure for the extent of the coherent coupling and static disorder. The spectra finally reveal the role of exciton-phonon coupling. At the single-molecule level a wide range of exciton delocalization lengths and energy redistribution times is revealed

  15. Ultrafast single-molecule photonics: Excited state dynamics in coherently coupled complexes

    Energy Technology Data Exchange (ETDEWEB)

    Hernando, Jordi [Dept. de Quimica, Universitat Autonoma Barcelona, 08193 Cerdanyola del Valles (Spain); Hoogenboom, Jacob [ICFO-Institut de Ciencies Fotoniques, Mediterranean Technology Park, 08860 Castelldefels, Barcelona (Spain); Dijk, Erik van [Applied Optics Group, MESA Institute for Nanotechnology, University of Twente, 7500AE Enschede (Netherlands); Garcia-Parajo, Maria [IBEC-Institute of BioEngineering of Catalunya, 08028 Barcelona (Spain); ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08015 Barcelona (Spain); Hulst, Niek F. van [ICFO-Institut de Ciencies Fotoniques, Mediterranean Technology Park, 08860 Castelldefels, Barcelona (Spain) and ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08015 Barcelona (Spain)], E-mail: Niek.vanHulst@ICFO.es

    2008-05-15

    We present a single-molecule study on femtosecond dynamics in multichromophoric systems, combining fs pump-probe, emission-spectra and fluorescence-lifetime analysis. The ultrafast fs approach gives direct information on the initial exciton dynamics after excitation. The lifetime data show superradiance, a direct measure for the extent of the coherent coupling and static disorder. The spectra finally reveal the role of exciton-phonon coupling. At the single-molecule level a wide range of exciton delocalization lengths and energy redistribution times is revealed.

  16. A single frequency component-based re-estimated MUSIC algorithm for impact localization on complex composite structures

    International Nuclear Information System (INIS)

    Yuan, Shenfang; Bao, Qiao; Qiu, Lei; Zhong, Yongteng

    2015-01-01

    The growing use of composite materials on aircraft structures has attracted much attention for impact monitoring as a kind of structural health monitoring (SHM) method. Multiple signal classification (MUSIC)-based monitoring technology is a promising method because of its directional scanning ability and easy arrangement of the sensor array. However, for applications on real complex structures, some challenges still exist. The impact-induced elastic waves usually exhibit a wide-band performance, giving rise to the difficulty in obtaining the phase velocity directly. In addition, composite structures usually have obvious anisotropy, and the complex structural style of real aircrafts further enhances this performance, which greatly reduces the localization precision of the MUSIC-based method. To improve the MUSIC-based impact monitoring method, this paper first analyzes and demonstrates the influence of measurement precision of the phase velocity on the localization results of the MUSIC impact localization method. In order to improve the accuracy of the phase velocity measurement, a single frequency component extraction method is presented. Additionally, a single frequency component-based re-estimated MUSIC (SFCBR-MUSIC) algorithm is proposed to reduce the localization error caused by the anisotropy of the complex composite structure. The proposed method is verified on a real composite aircraft wing box, which has T-stiffeners and screw holes. Three typical categories of 41 impacts are monitored. Experimental results show that the SFCBR-MUSIC algorithm can localize impact on complex composite structures with an obviously improved accuracy. (paper)

  17. Complex Pattern Formation from Current-Driven Dynamics of Single-Layer Homoepitaxial Islands on Crystalline Conducting Substrates

    Science.gov (United States)

    Kumar, Ashish; Dasgupta, Dwaipayan; Maroudas, Dimitrios

    2017-07-01

    We report a systematic study of complex pattern formation resulting from the driven dynamics of single-layer homoepitaxial islands on surfaces of face-centered-cubic (fcc) crystalline conducting substrates under the action of an externally applied electric field. The analysis is based on an experimentally validated nonlinear model of mass transport via island edge atomic diffusion, which also accounts for edge diffusional anisotropy. We analyze the morphological stability and simulate the field-driven evolution of rounded islands for an electric field oriented along the fast edge diffusion direction. For larger-than-critical island sizes on {110 } and {100 } fcc substrates, we show that multiple necking instabilities generate complex island patterns, including not-simply-connected void-containing islands mediated by sequences of breakup and coalescence events and distributed symmetrically with respect to the electric field direction. We analyze the dependence of the formed patterns on the original island size and on the duration of application of the external field. Starting from a single large rounded island, we characterize the evolution of the number of daughter islands and their average size and uniformity. The evolution of the average island size follows a universal power-law scaling relation, and the evolution of the total edge length of the islands in the complex pattern follows Kolmogorov-Johnson-Mehl-Avrami kinetics. Our study makes a strong case for the use of electric fields, as precisely controlled macroscopic forcing, toward surface patterning involving complex nanoscale features.

  18. Lutzomyia longipalpis in Brazil: a complex or a single species? A mini-review

    Directory of Open Access Journals (Sweden)

    Luiz GSR Bauzer

    2007-02-01

    Full Text Available Lutzomyia longipalpis is the main vector of Leishmania infantum chagasi, the causative agent of American visceral leishmaniasis (AVL. Although there is strong evidence that Lu. longipalpis is a species complex, not all data concerning populations from Brazil support this hypothesis. The issue is still somewhat controversial for this large part of Lu. longipalpis distribution range even though that it is the Latin American region contributing to most of the cases of AVL. In this mini-review we consider in detail the current data for the Brazilian populations and conclude that Lu. longipalpis is a complex of incipient vector species with a complexity similar to Anopheles gambiae s.s. in Africa.

  19. Modeling the complexities of water, hygiene, and health in Limpopo Province, South Africa.

    Science.gov (United States)

    Mellor, Jonathan E; Smith, James A; Learmonth, Gerard P; Netshandama, Vhonani O; Dillingham, Rebecca A

    2012-12-18

    Researchers have long studied the causes and prevention strategies of poor household water quality and early childhood diarrhea using intervention-control trials. Although the results of such trails can lead to useful information, they do not capture the complexity of this natural/engineered/social system. We report on the development of an agent-based model (ABM) to study such a system in Limpopo, South Africa. The study is based on four years of field data collection to accurately capture essential elements of the communities and their water contamination chain. An extensive analysis of those elements explored behaviors including water collection and treatment frequency as well as biofilm buildup in water storage containers, source water quality, and water container types. Results indicate that interventions must be optimally implemented in order to see significant reductions in early childhood diarrhea (ECD). Household boiling frequency, source water quality, water container type, and the biofilm layer contribution were deemed to have significant impacts on ECD. Furthermore, concurrently implemented highly effective interventions were shown to reduce diarrhea rates to very low levels even when other, less important practices were suboptimal. This technique can be used by a variety of stakeholders when designing interventions to reduce ECD incidences in similar settings.

  20. Modeling complexity in engineered infrastructure system: Water distribution network as an example

    Science.gov (United States)

    Zeng, Fang; Li, Xiang; Li, Ke

    2017-02-01

    The complex topology and adaptive behavior of infrastructure systems are driven by both self-organization of the demand and rigid engineering solutions. Therefore, engineering complex systems requires a method balancing holism and reductionism. To model the growth of water distribution networks, a complex network model was developed following the combination of local optimization rules and engineering considerations. The demand node generation is dynamic and follows the scaling law of urban growth. The proposed model can generate a water distribution network (WDN) similar to reported real-world WDNs on some structural properties. Comparison with different modeling approaches indicates that a realistic demand node distribution and co-evolvement of demand node and network are important for the simulation of real complex networks. The simulation results indicate that the efficiency of water distribution networks is exponentially affected by the urban growth pattern. On the contrary, the improvement of efficiency by engineering optimization is limited and relatively insignificant. The redundancy and robustness, on another aspect, can be significantly improved through engineering methods.

  1. Investigations on complexing cation exchangers and their use for trace analysis in natural waters

    International Nuclear Information System (INIS)

    Lang, H.

    1991-12-01

    The practicability of cation preconcentrations from natural waters by use of EDTrA- and 5-s-oxine- celluloses has been studied. For that purpose the protonation constants as well as the complexation capacities were determined by use of acid/base titrations. In additional titration experiments the complex stability constants for Cu 2+ , Mn 2+ , Co 2+ , Ni 2+ and Ca 2+ were determined examplarely. The interpretation of the experiments was performed using an optimised fit between calculated and experimentally determined pH-titration curves. Calculations have been done by the computer code 'MINEQL'. The determined stability constants are in the same order of magnitude as those given in literature for the water soluble complexes of EDTA, NTA or 5-s-oxine. The preconcentration of cations from natural water samples occurs in accordance with the theoretical predictions. Not ignorable disturbances appear for cations forming hydroxides or oxides in neutral or weakly acidic solutions. By use of radioactive isotopes for Sn 2+ , Zn 4+ and Nb 5+ it can be shown that those ions may form particles or colloids in natural waters. These particles will be filtered in the columns packed with the celluloses and can hardly be removed from there. (author)

  2. Neutral glycoconjugated amide-based calix[4]arenes: complexation of alkali metal cations in water.

    Science.gov (United States)

    Cindro, Nikola; Požar, Josip; Barišić, Dajana; Bregović, Nikola; Pičuljan, Katarina; Tomaš, Renato; Frkanec, Leo; Tomišić, Vladislav

    2018-02-07

    Cation complexation in water presents a unique challenge in calixarene chemistry, mostly due to the fact that a vast majority of calixarene-based cation receptors is not soluble in water or their solubility has been achieved by introducing functionalities capable of (de)protonation. Such an approach inevitably involves the presence of counterions which compete with target cations for the calixarene binding site, and also rather often requires the use of ion-containing buffer solutions in order to control the pH. Herein we devised a new strategy towards the solution of this problem, based on introducing carbohydrate units at the lower or upper rim of calix[4]arenes which comprise efficient cation binding sites. In this context, we prepared neutral, water-soluble receptors with secondary or tertiary amide coordinating groups, and studied their complexation with alkali metal cations in aqueous and methanol (for the comparison purpose) solutions. Complexation thermodynamics was quantitatively characterized by UV spectrometry and isothermal titration calorimetry, revealing that one of the prepared tertiary amide derivatives is capable of remarkably efficient (log K ≈ 5) and selective binding of sodium cations among alkali metal cations in water. Given the ease of the synthetic procedure used, and thus the variety of accessible analogues, this study can serve as a platform for the development of reagents for diverse purposes in aqueous media.

  3. A framework for modelling the complexities of food and water security under globalisation

    Science.gov (United States)

    Dermody, Brian J.; Sivapalan, Murugesu; Stehfest, Elke; van Vuuren, Detlef P.; Wassen, Martin J.; Bierkens, Marc F. P.; Dekker, Stefan C.

    2018-01-01

    We present a new framework for modelling the complexities of food and water security under globalisation. The framework sets out a method to capture regional and sectoral interdependencies and cross-scale feedbacks within the global food system that contribute to emergent water use patterns. The framework integrates aspects of existing models and approaches in the fields of hydrology and integrated assessment modelling. The core of the framework is a multi-agent network of city agents connected by infrastructural trade networks. Agents receive socio-economic and environmental constraint information from integrated assessment models and hydrological models respectively and simulate complex, socio-environmental dynamics that operate within those constraints. The emergent changes in food and water resources are aggregated and fed back to the original models with minimal modification of the structure of those models. It is our conviction that the framework presented can form the basis for a new wave of decision tools that capture complex socio-environmental change within our globalised world. In doing so they will contribute to illuminating pathways towards a sustainable future for humans, ecosystems and the water they share.

  4. A framework for modelling the complexities of food and water security under globalisation

    Directory of Open Access Journals (Sweden)

    B. J. Dermody

    2018-01-01

    Full Text Available We present a new framework for modelling the complexities of food and water security under globalisation. The framework sets out a method to capture regional and sectoral interdependencies and cross-scale feedbacks within the global food system that contribute to emergent water use patterns. The framework integrates aspects of existing models and approaches in the fields of hydrology and integrated assessment modelling. The core of the framework is a multi-agent network of city agents connected by infrastructural trade networks. Agents receive socio-economic and environmental constraint information from integrated assessment models and hydrological models respectively and simulate complex, socio-environmental dynamics that operate within those constraints. The emergent changes in food and water resources are aggregated and fed back to the original models with minimal modification of the structure of those models. It is our conviction that the framework presented can form the basis for a new wave of decision tools that capture complex socio-environmental change within our globalised world. In doing so they will contribute to illuminating pathways towards a sustainable future for humans, ecosystems and the water they share.

  5. Reducing assembly complexity of microbial genomes with single-molecule sequencing

    Science.gov (United States)

    Genome assembly algorithms cannot fully reconstruct microbial chromosomes from the DNA reads output by first or second-generation sequencing instruments. Therefore, most genomes are left unfinished due to the significant resources required to manually close gaps left in the draft assemblies. Single-...

  6. Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex.

    Science.gov (United States)

    Kafentzi, Maria-Chrysanthi; Papadakis, Raffaello; Gennarini, Federica; Kochem, Amélie; Iranzo, Olga; Le Mest, Yves; Le Poul, Nicolas; Tron, Thierry; Faure, Bruno; Simaan, A Jalila; Réglier, Marius

    2018-04-06

    Water oxidation by copper-based complexes to form dioxygen has attracted attention in recent years, with the aim of developing efficient and cheap catalysts for chemical energy storage. In addition, high-valent metal-oxo species produced by the oxidation of metal complexes in the presence of water can be used to achieve substrate oxygenation with the use of H 2 O as an oxygen source. To date, this strategy has not been reported for copper complexes. Herein, a copper(II) complex, [(RPY2)Cu(OTf) 2 ] (RPY2=N-substituted bis[2-pyridyl(ethylamine)] ligands; R=indane; OTf=triflate), is used. This complex, which contains an oxidizable substrate moiety (indane), is used as a tool to monitor an intramolecular oxygen atom transfer reaction. Electrochemical properties were investigated and, upon electrolysis at 1.30 V versus a normal hydrogen electrode (NHE), both dioxygen production and oxygenation of the indane moiety were observed. The ligand was oxidized in a highly diastereoselective manner, which indicated that the observed reactivity was mediated by metal-centered reactive species. The pH dependence of the reactivity was monitored and correlated with speciation deduced from different techniques, ranging from potentiometric titrations to spectroscopic studies and DFT calculations. Water oxidation for dioxygen production occurs at neutral pH and is probably mediated by the oxidation of a mononuclear copper(II) precursor. It is achieved with a rather low overpotential (280 mV at pH 7), although with limited efficiency. On the other hand, oxygenation is maximum at pH 8-8.5 and is probably mediated by the electrochemical oxidation of an antiferromagnetically coupled dinuclear bis(μ-hydroxo) copper(II) precursor. This constitutes the first example of copper-centered oxidative water activation for a selective oxygenation reaction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis

    Directory of Open Access Journals (Sweden)

    Hajime Hirao

    2013-06-01

    Full Text Available Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme’s active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I intermediate of cytochrome P450 are studied. Energy decomposition analysis (EDA schemes are used to investigate the physical origins of these interactions. Localized molecular orbital EDA (LMOEDA implemented in the quantum chemistry software GAMESS and the EDA method implemented in the ADF quantum chemistry program are used. EDA reveals that the electrostatic and polarization effects act as the major driving force in both of these interactions. The hydrogen bonding in the Cpd I•••H2O complex is similar to that in the water dimer; however, the relative importance of the electrostatic effect is somewhat larger in the water dimer.

  8. The Influence of Fluorination on Structure of the Trifluoroacetonitrile Water Complex

    Science.gov (United States)

    Lin, Wei; Wu, Anan; Lu, Xin; Obenchain, Daniel A.; Novick, Stewart E.

    2015-06-01

    Acetonitrile, CH_3CN, and trifluoroacetonitrile, CF_3CN, are symmetric tops. In a recent study of the rotational spectrum of the acetonitrile and water complex, it was observed that the structure was also an effective symmetric top, with the external hydrogen freely rotating about the O-H bond aligned towards the nitrogen of the cyanide of CH_3CN. Unlike the CH_3CN-H_2O complex, the CH_3CN-Ar and CF_3CN-Ar complexes were observed to be asymmetric tops. Having a series of symmetric and asymmetric top complexes of acetonitrile and trifluoracetonitrile for comparison, we report the rotational spectrum of the weakly bound complex between trifluoroacetonitrile and water. Rotational constants and quadrupole coupling constants will be presented, and the structure of CF_3CN-H_2O will be revealed. Lovas, F.J.; Sobhanadri, J. Microwave rotational spectral study of CH_3CN-H_2O and Ar-CH_3CN. J. Mol. Spetrosc. 2015, 307, 59-64. SPOILER ALERT: It's an asymmetric top.

  9. Multi-frequency complex network from time series for uncovering oil-water flow structure.

    Science.gov (United States)

    Gao, Zhong-Ke; Yang, Yu-Xuan; Fang, Peng-Cheng; Jin, Ning-De; Xia, Cheng-Yi; Hu, Li-Dan

    2015-02-04

    Uncovering complex oil-water flow structure represents a challenge in diverse scientific disciplines. This challenge stimulates us to develop a new distributed conductance sensor for measuring local flow signals at different positions and then propose a novel approach based on multi-frequency complex network to uncover the flow structures from experimental multivariate measurements. In particular, based on the Fast Fourier transform, we demonstrate how to derive multi-frequency complex network from multivariate time series. We construct complex networks at different frequencies and then detect community structures. Our results indicate that the community structures faithfully represent the structural features of oil-water flow patterns. Furthermore, we investigate the network statistic at different frequencies for each derived network and find that the frequency clustering coefficient enables to uncover the evolution of flow patterns and yield deep insights into the formation of flow structures. Current results present a first step towards a network visualization of complex flow patterns from a community structure perspective.

  10. Mass transfer with complex reversible chemical reactions—I. Single reversible chemical reaction

    NARCIS (Netherlands)

    Versteeg, G.F.; Kuipers, J.A.M.; Beckum, F.P.H. van; Swaaij, W.P.M. van

    1989-01-01

    An improved numerical technique was used in order to develop an absorption model with which it is possible to calculate rapidly absorption rates for the phenomenon of mass transfer accompanied by a complex reversible chemical reaction. This model can be applied for the calculation of the mass

  11. Management of complex urethral stricture disease: Algorithm and experience from a single institute

    Directory of Open Access Journals (Sweden)

    Yu-Hua Shau

    2015-09-01

    Conclusion: Complex urethral strictures can be managed by a variety of surgical techniques according to specific stricture locations. However, a careful postoperative follow-up for recurrences is mandatory, since ∼40% of patients undergoing buccal mucosal graft-augmented urethroplasties were expected to have additional procedures after the index urethroplasty.

  12. Modeling the Complexities of Water and Hygiene in Limpopo Province South Africa

    Science.gov (United States)

    Mellor, J. E.; Smith, J. A.; Learmonth, G.; Netshandama, V.; Dillingham, R.

    2012-12-01

    Access to sustainable water and sanitation services is one of the biggest challenges the developing world faces as an increasing number of people inhabit those areas. Inadequate access to water and sanitation infrastructure often leads children to drink poor quality water which can result in early childhood diarrhea (ECD). Repeated episodes of ECD can cause serious problems such as growth stunting, cognitive impairment, and even death. Although researchers have long studied the connection between poor access to water and hygiene facilities and ECD, most studies have relied on intervention-control methods to study the effects of singular interventions. Such studies are time-consuming, costly, and fail to acknowledge that the causes and prevention strategies for ECD are numerous and complex. An alternate approach is to think of a community as a complex system in which the engineered, natural and social environments interact in ways that are not easily predicted. Such complex systems have no central or coordinating mechanism and may exhibit emergent behavior which can be counterintuitive and lead to valuable insights. The goal of this research is to develop a robust, quantitative understanding of the complex pathogen transmission chain that leads to ECD. To realize this goal, we have developed an Agent-Based Model (ABM) which simulates individual community member behavior. We have validated this transdisciplinary model with four years of field data from a community in Limpopo Province, South Africa. Our model incorporates data such as household water source preferences, collection habits, household- and source-water quality, water-source reliability and biological regrowth. Our outcome measures are household water quality, ECD incidences, and child growth stunting. This technique allows us to test hypotheses on the computer. Future researchers can implement promising interventions with our partner institution, the University of Venda, and the model can be refined as

  13. Single house on-site grey water treatment using a submerged membrane bioreactor for toilet flushing.

    Science.gov (United States)

    Fountoulakis, M S; Markakis, N; Petousi, I; Manios, T

    2016-05-01

    Wastewater recycling has been and continues to be practiced all over the world for a variety of reasons including: increasing water availability, combating water shortages and drought, and supporting environmental and public health protection. Nowadays, one of the most interesting issues for wastewater recycling is the on-site treatment and reuse of grey water. During this study the efficiency of a compact Submerged Membrane Bioreactor (SMBR) system to treat real grey water in a single house in Crete, Greece, was examined. In the study, grey water was collected from a bathtub, shower and washing machine containing significant amounts of organic matter and pathogens. Chemical oxygen demand (COD) removal in the system was approximately 87%. Total suspended solids (TSS) were reduced from 95mgL(-1) in the influent to 8mgL(-1) in the effluent. The efficiency of the system to reduce anionic surfactants was about 80%. Fecal and total coliforms decreased significantly using the SMBR system due to rejection, by the membrane, used in the study. Overall, the SMBR treatment produces average effluent values that would satisfy international guidelines for indoor reuse applications such as toilet flushing. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Just add water: reproducible singly dispersed silver nanoparticle suspensions on-demand

    International Nuclear Information System (INIS)

    MacCuspie, Robert I.; Allen, Andrew J.; Martin, Matthew N.; Hackley, Vincent A.

    2013-01-01

    Silver nanoparticles (AgNPs) are of interest due to their antimicrobial attributes, which are derived from their inherent redox instability and subsequent release of silver ions. At the same time, this instability is a substantial challenge for achieving stable long-term storage for on-demand use of AgNPs. In this study, we describe and validate a “just add water” approach for achieving suspensions of principally singly dispersed AgNPs. By lyophilizing (freeze drying) the formulated AgNPs into a solid powder, or cake, water is removed thereby eliminating solution-based chemical changes. Storing under inert gas further reduces surface reactions such as oxidation. An example of how to optimize a lyophilization formulation is presented, as well as example formulations for three AgNP core sizes. This “just add water” approach enables ease of use for the researcher desiring on-demand singly dispersed AgNP suspensions from a single master batch. Implementation of this methodology will enable studies to be performed over long periods of time and across different laboratories using particles that are identical chemically and physically and available on-demand. In addition, the approach of freeze drying and on-demand reconstitution by adding water has enabled the development of AgNP reference materials with the required shelf-life stability, one of the principal objectives of this research

  15. Radiological risk assessment of U(nat) in the ground water around Jaduguda uranium mining complex

    International Nuclear Information System (INIS)

    Sethy, N.K.; Jha, V.N.; Shukla, A.K.; Tripathi, R.M.; Puranik, V.D.

    2010-01-01

    Uranium is present naturally in earth crust and hence at trace level in ground water, sea water, building materials etc. Naturally occurring radionuclide originating from industrial activities, metal mining and waste depository may contribute to the nearby ground water by radionuclide migration. Ground water ecosystem surrounding the uranium processing facility at Jaduguda has been studied for natural uranium distribution. In the present study, the drinking water sources at various distance zone (with in 1.6 km, 1.6-5 km and > 5km) covering all directions around the waste depository (tailings pond) have been investigated for uranium content. Evaluation of intake, ingestion dose and subsequent risk for population residing around the tailings pond has been carried out. Annual intake of uranium through drinking water for members of public residing around the uranium complex is found to be in the range of 41.8 - 44.4 Bq.y -1 . The intake and ingestion dose is appreciably low ( -1 ) which is far below the WHO recommended level of 100 Sv.y -1 . The life time radiological risk due to uranium natural in drinking water is insignificant and found to be of the order of 10 -6 . (author)

  16. Therapeutic Assessment of Complex Trauma: A Single-Case Time-Series Study

    OpenAIRE

    Tarocchi, Anna; Aschieri, Filippo; Fantini, Francesca; Smith, Justin D.

    2013-01-01

    The cumulative effect of repeated traumatic experiences in early childhood incrementally increases the risk of adjustment problems later in life. Surviving traumatic environments can lead to the development of an interrelated constellation of emotional and interpersonal symptoms termed complex posttraumatic stress disorder (CPTSD). Effective treatment of trauma begins with a multimethod psychological assessment and requires the use of several evidence-based therapeutic processes, including es...

  17. Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms.

    Science.gov (United States)

    Koepke, Sara J; Light, Kenneth M; VanNatta, Peter E; Wiley, Keaton M; Kieber-Emmons, Matthew T

    2017-06-28

    Deployment of solar fuels derived from water requires robust oxygen-evolving catalysts made from earth abundant materials. Copper has recently received much attention in this regard. Mechanistic parallels between Cu and single-site Ru/Ir/Mn water oxidation catalysts, including intermediacy of terminal Cu oxo/oxyl species, are prevalent in the literature; however, intermediacy of late transition metal oxo species would be remarkable given the high d-electron count would fill antibonding orbitals, making these species high in energy. This may suggest alternate pathways are at work in copper-based water oxidation. This report characterizes a dinuclear copper water oxidation catalyst, {[(L)Cu(II)] 2 -(μ-OH) 2 }(OTf) 2 (L = Me 2 TMPA = bis((6-methyl-2-pyridyl)methyl)(2-pyridylmethyl)amine) in which water oxidation proceeds with high Faradaic efficiency (>90%) and moderate rates (33 s -1 at ∼1 V overpotential, pH 12.5). A large kinetic isotope effect (k H /k D = 20) suggests proton coupled electron transfer in the initial oxidation as the rate-determining step. This species partially dissociates in aqueous solution at pH 12.5 to generate a mononuclear {[(L)Cu(II)(OH)]} + adduct (K eq = 0.0041). Calculations that reproduce the experimental findings reveal that oxidation of either the mononuclear or dinuclear species results in a common dinuclear intermediate, {[LCu(III)] 2 -(μ-O) 2 } 2+ , which avoids formation of terminal Cu(IV)═O/Cu(III)-O • intermediates. Calculations further reveal that both intermolecular water nucleophilic attack and redox isomerization of {[LCu(III)] 2 -(μ-O) 2 } 2+ are energetically accessible pathways for O-O bond formation. The consequences of these findings are discussed in relation to differences in water oxidation pathways between Cu catalysts and catalysts based on Ru, Ir, and Mn.

  18. Fatigue analysis of assembled marine floating platform for special purposes under complex water environments

    Science.gov (United States)

    Ma, Guang-ying; Yao, Yun-long

    2018-03-01

    In this paper, the fatigue lives of a new type of assembled marine floating platform for special purposes were studied. Firstly, by using ANSYS AQWA software, the hydrodynamic model of the platform was established. Secondly, the structural stresses under alternating change loads were calculated under complex water environments, such as wind, wave, current and ice. The minimum fatigue lives were obtained under different working conditions. The analysis results showed that the fatigue life of the platform structure can meet the requirements

  19. Experimental Results for Direction of Arrival Estimation with a Single Acoustic Vector Sensor in Shallow Water

    Directory of Open Access Journals (Sweden)

    Alper Bereketli

    2015-01-01

    Full Text Available We study the performances of several computationally efficient and simple techniques for estimating direction of arrival (DOA of an underwater acoustic source using a single acoustic vector sensor (AVS in shallow water. Underwater AVS is a compact device, which consists of one hydrophone and three accelerometers in a packaged form, measuring scalar pressure and three-dimensional acceleration simultaneously at a single position. A very controlled experimental setup is prepared to test how well-known techniques, namely, arctan-based, intensity-based, time domain beamforming, and frequency domain beamforming methods, perform in estimating DOA of a source in different circumstances. Experimental results reveal that for almost all cases beamforming techniques perform best. Moreover, arctan-based method, which is the simplest of all, provides satisfactory results for practical purposes.

  20. Single-stage soft tissue reconstruction and orbital fracture repair for complex facial injuries.

    Science.gov (United States)

    Wu, Peng Sen; Matoo, Reshvin; Sun, Hong; Song, Li Yuan; Kikkawa, Don O; Lu, Wei

    2017-02-01

    Orbital fractures with open periorbital wounds cause significant morbidity. Timing of debridement with fracture repair and soft tissue reconstruction is controversial. This study focuses on the efficacy of early single-stage repair in combined bony and soft tissue injuries. Retrospective review. Twenty-three patients with combined open soft tissue wounds and orbital fractures were studied for single-stage orbital reconstruction and periorbital soft tissue repair. Inclusion criteria were open soft tissue wounds with clinical and radiographic evidence of orbital fractures and repair performed within 48 h after injury. Surgical complications and reconstructive outcomes were assessed over 6 months. The main outcome measures were enophthalmos, pre- and post-CT imaging of orbits, scar evaluation, presence of diplopia, and eyelid position. Enophthalmos was corrected in 16/19 cases and improved in 3/19 cases. 3D reconstruction of CT images showed markedly improved orbital alignment with objective measurements of the optic foramen to cornea distance (mm) in reconstructed orbits relative to intact orbits of 0.66, 95% confidence interval [CI] (lower 0.33, upper 0.99) mm. The mean baseline of Stony Brook Scar Evaluation Scale was 0.6, 95%CI (0.30-0.92), and for 6 months, the mean score was 3.4, 95%CI (3.05-3.73). Residual diplopia in secondary gazes was present in two patients; one patient had ectropion. Complications included one case of local wound infection. An early single-stage repair of combined soft tissue and orbital fractures yields satisfactory functional and aesthetic outcomes. Complications are low and likely related to trauma severity. Copyright © 2016 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

  1. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  2. Thermodynamics of formation for the 18-crown-6-triglycine molecular complex in water-dimethylsulfoxide solvents

    Science.gov (United States)

    Usacheva, T. R.; Lan, Pham Thi; Sharnin, V. A.

    2014-06-01

    The effect of a water-dimethylsulfoxide (DMSO) solvent on the formation of a molecular complex of 18-crown-6 (18C6) with triglycine (diglycylglycine, 3Gly) is studied via calorimetric titration. It is found that switching from water to an H2O-DMSO mixture with DMSO mole fraction of 0.30 is accompanied by a monotonic increase in the stability of [3Gly18C6] complex, from log K ∘ = 1.10 to log K ∘ = 2.44, and an increase in the exothermicity of the reaction of its formation, from -5.9 to -16.9 kJ/mol. It is shown that the [3Gly18C6] complex exhibits enthalpy stabilization with negative values of enthalpy and entropy over the investigated range of H2O-DMSO solvents. Analysis of the reagents' solvation characteristics reveals that the increase in the reaction's exothermicity of transfer is due to differences in the solvation of [3Gly18C6] and 18C6 with a small solvation contribution from 3Gly. It is concluded that the change in the Gibbs energy of the reaction 3Glysolv + 18C6solv ↔ [3Gly18C6]solv is due to differences in the change in the solvation state of the complex and the peptide (Δtr G ∘([3Gly18C6])-Δtr G ∘(3Gly)).

  3. Simulation model of a single-stage lithium bromide-water absorption cooling unit

    Science.gov (United States)

    Miao, D.

    1978-01-01

    A computer model of a LiBr-H2O single-stage absorption machine was developed. The model, utilizing a given set of design data such as water-flow rates and inlet or outlet temperatures of these flow rates but without knowing the interior characteristics of the machine (heat transfer rates and surface areas), can be used to predict or simulate off-design performance. Results from 130 off-design cases for a given commercial machine agree with the published data within 2 percent.

  4. Engineering Interfacial Energetics: A Novel Hybrid System of Metal Oxide Quantum Dots and Cobalt Complex for Photocatalytic Water Oxidation

    International Nuclear Information System (INIS)

    Niu, Fujun; Shen, Shaohua; Wang, Jian; Guo, Liejin

    2016-01-01

    Graphical abstract: A cobalt complex engineers the interfacial energetics of metal oxide quantum dots (n- or p-type) and electrolytes for highly efficient O_2 generation under visible light irradiation. - Highlights: • A noble-metal-free hybrid photocatalytic system using a single-site cobalt catalyst was developed for O_2 generation. • Considerable activity and excellent stability for O_2 production were achieved by this novel system. • CoSlp engineered the QDs/electrolyte interfacical energetics for efficient hole transfer. - Abstract: Here we reported a novel hybrid photocatalytic water oxidation system, containing metal oxide (n-Fe_2O_3 or p-Co_3O_4) quantum dots (QDs) as light harvester, a salophen cobalt(II) complex (CoSlp) as redox catalyst and persulfate (S_2O_8"2"−) as sacrificial electron acceptor, for oxygen generation from fully aqueous solution. The n-Fe_2O_3 QDs/CoSlp and p-Co_3O_4 QDs/CoSlp systems exhibited good O_2 evolution performances, giving turnover numbers (TONs) of ca. 33 and ca. 35 over CoSlp after visible light irradiation for 72 h, respectively. The excellent photocatalytic performance could be ascribed to the efficient hole transfer from QDs to CoSlp catalyst, leading to reduced photogenerated charge recombination, as well as the CoSlp engineered interfacial band bending of QDs, increasing the driving force or decreasing the energy barrier for hole transfer and then benefiting the following O_2 generation at the QDs/electrolyte interface. The present work successfully demonstrated a novel hybrid system for photocatalytic O_2 evolution from fully aqueous solution; and the essential role of cobalt complexes in engineering the interfacial energetics of semiconductors (n- or p-type) and electrolytes could be informative for designing efficient systems for solar water splitting.

  5. Mapping the q-voter model: From a single chain to complex networks

    Science.gov (United States)

    Jȩdrzejewski, Arkadiusz; Sznajd-Weron, Katarzyna; Szwabiński, Janusz

    2016-03-01

    We propose and compare six different ways of mapping the modified q-voter model to complex networks. Considering square lattices, Barabási-Albert, Watts-Strogatz and real Twitter networks, we ask the question if always a particular choice of the group of influence of a fixed size q leads to different behavior at the macroscopic level. Using Monte Carlo simulations we show that the answer depends on the relative average path length of the network and for real-life topologies the differences between the considered mappings may be negligible.

  6. Hydrophobic Interaction Chromatography for Bottom-Up Proteomics Analysis of Single Proteins and Protein Complexes.

    Science.gov (United States)

    Rackiewicz, Michal; Große-Hovest, Ludger; Alpert, Andrew J; Zarei, Mostafa; Dengjel, Jörn

    2017-06-02

    Hydrophobic interaction chromatography (HIC) is a robust standard analytical method to purify proteins while preserving their biological activity. It is widely used to study post-translational modifications of proteins and drug-protein interactions. In the current manuscript we employed HIC to separate proteins, followed by bottom-up LC-MS/MS experiments. We used this approach to fractionate antibody species followed by comprehensive peptide mapping as well as to study protein complexes in human cells. HIC-reversed-phase chromatography (RPC)-mass spectrometry (MS) is a powerful alternative to fractionate proteins for bottom-up proteomics experiments making use of their distinct hydrophobic properties.

  7. Comparison of Xe single bubble sonoluminescence in water and sulfuric acid

    International Nuclear Information System (INIS)

    An Yu

    2008-01-01

    Using the equations of fluid mechanics with proper boundary conditions and taking account of the gas properties, we can numerically simulate the process of single bubble sonoluminescence, in which electron–neutral atom bremsstrahlung, electron—ion bremsstrahlung and recombination radiation, and the radiative attachment of electrons to atoms and molecules contribute to the light emission. The calculation can quantitatively or qualitatively interpret the experimental results. We find that the accumulated heat energy inside the compressed gas bubble is mostly consumed by the chemical reaction, therefore, the maximum degree of ionization inside Xe bubble in water is much lower than that in sulfuric acid, of which the vapour pressure is very low. In addition, in sulfuric acid much larger p a and R 0 are allowed which makes the bubbles in it much brighter than that in water. (classical areas of phenomenology)

  8. Hot water epilepsy: Phenotype and single photon emission computed tomography observations

    Directory of Open Access Journals (Sweden)

    Mehul Patel

    2014-01-01

    Full Text Available We studied the anatomical correlates of reflex hot water epilepsy (HWE using multimodality investigations viz. magnetic resonance imaging (MRI, electroencephalography (EEG, and single photon emission computed tomography (SPECT. Five men (mean age: 27.0 ΁ 5.8 years with HWE were subjected to MRI of brain, video-EEG studies, and SPECT scan. These were correlated with phenotypic presentations. Seizures could be precipitated in three patients with pouring of hot water over the head and semiology of seizures was suggestive of temporal lobe epilepsy. Ictal SPECT showed hyperperfusion in: left medial temporal - one, left lateral temporal - one, and right parietal - one. Interictal SPECT was normal in all five patients and did not help in localization. MRI and interictal EEG was normal in all the patients. The clinical and SPECT studies suggested temporal lobe as the seizure onset zone in some of the patients with HWE.

  9. Multivariate multiscale complex network analysis of vertical upward oil-water two-phase flow in a small diameter pipe.

    Science.gov (United States)

    Gao, Zhong-Ke; Yang, Yu-Xuan; Zhai, Lu-Sheng; Dang, Wei-Dong; Yu, Jia-Liang; Jin, Ning-De

    2016-02-02

    High water cut and low velocity vertical upward oil-water two-phase flow is a typical complex system with the features of multiscale, unstable and non-homogenous. We first measure local flow information by using distributed conductance sensor and then develop a multivariate multiscale complex network (MMCN) to reveal the dispersed oil-in-water local flow behavior. Specifically, we infer complex networks at different scales from multi-channel measurements for three typical vertical oil-in-water flow patterns. Then we characterize the generated multiscale complex networks in terms of network clustering measure. The results suggest that the clustering coefficient entropy from the MMCN not only allows indicating the oil-in-water flow pattern transition but also enables to probe the dynamical flow behavior governing the transitions of vertical oil-water two-phase flow.

  10. Synthesis of Freestanding Single-crystal Perovskite Films and Heterostructures by Etching of Sacrificial Water-soluble Layers

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Di; Baek, David J.; Hong, Seung Sae; Kourkoutis, Lena F.; Hikita, Yasuyuki; Hwang, Harold Y.

    2016-08-22

    The ability to create and manipulate materials in two-dimensional (2D) form has repeatedly had transformative impact on science and technology. In parallel with the exfoliation and stacking of intrinsically layered crystals, atomic-scale thin film growth of complex materials has enabled the creation of artificial 2D heterostructures with novel functionality and emergent phenomena, as seen in perovskite heterostructures. However, separation of these layers from the growth substrate has proven challenging, limiting the manipulation capabilities of these heterostructures with respect to exfoliated materials. Here we present a general method to create freestanding perovskite membranes. The key is the epitaxial growth of water-soluble Sr3Al2O6 on perovskite substrates, followed by in situ growth of films and heterostructures. Millimetre-size single-crystalline membranes are produced by etching the Sr3Al2O6 layer in water, providing the opportunity to transfer them to arbitrary substrates and integrate them with heterostructures of semiconductors and layered compounds.

  11. Methods for the preparation of large quantities of complex single-stranded oligonucleotide libraries.

    Science.gov (United States)

    Murgha, Yusuf E; Rouillard, Jean-Marie; Gulari, Erdogan

    2014-01-01

    Custom-defined oligonucleotide collections have a broad range of applications in fields of synthetic biology, targeted sequencing, and cytogenetics. Also, they are used to encode information for technologies like RNA interference, protein engineering and DNA-encoded libraries. High-throughput parallel DNA synthesis technologies developed for the manufacture of DNA microarrays can produce libraries of large numbers of different oligonucleotides, but in very limited amounts. Here, we compare three approaches to prepare large quantities of single-stranded oligonucleotide libraries derived from microarray synthesized collections. The first approach, alkaline melting of double-stranded PCR amplified libraries with a biotinylated strand captured on streptavidin coated magnetic beads results in little or no non-biotinylated ssDNA. The second method wherein the phosphorylated strand of PCR amplified libraries is nucleolyticaly hydrolyzed is recommended when small amounts of libraries are needed. The third method combining in vitro transcription of PCR amplified libraries to reverse transcription of the RNA product into single-stranded cDNA is our recommended method to produce large amounts of oligonucleotide libraries. Finally, we propose a method to remove any primer binding sequences introduced during library amplification.

  12. Circular dichroism measured on single chlorosomal light-harvesting complexes of green photosynthetic bacteria

    KAUST Repository

    Furumaki, Shu

    2012-12-06

    We report results on circular dichroism (CD) measured on single immobilized chlorosomes of a triple mutant of green sulfur bacterium Chlorobaculum tepidum. The CD signal is measured by monitoring chlorosomal bacteriochlorphyll c fluorescence excited by alternate left and right circularly polarized laser light with a fixed wavelength of 733 nm. The excitation wavelength is close to a maximum of the negative CD signal of a bulk solution of the same chlorosomes. The average CD dissymmetry parameter obtained from an ensemble of individual chlorosomes was gs = -0.025, with an intrinsic standard deviation (due to variations between individual chlorosomes) of 0.006. The dissymmetry value is about 2.5 times larger than that obtained at the same wavelength in the bulk solution. The difference can be satisfactorily explained by taking into account the orientation factor in the single-chlorosome experiments. The observed distribution of the dissymmetry parameter reflects the well-ordered nature of the mutant chlorosomes. © 2012 American Chemical Society.

  13. Circular dichroism measured on single chlorosomal light-harvesting complexes of green photosynthetic bacteria

    KAUST Repository

    Furumaki, Shu; Yabiku, Yu; Habuchi, Satoshi; Tsukatani, Yusuke; Bryant, Donald A.; Vá cha, Martin

    2012-01-01

    We report results on circular dichroism (CD) measured on single immobilized chlorosomes of a triple mutant of green sulfur bacterium Chlorobaculum tepidum. The CD signal is measured by monitoring chlorosomal bacteriochlorphyll c fluorescence excited by alternate left and right circularly polarized laser light with a fixed wavelength of 733 nm. The excitation wavelength is close to a maximum of the negative CD signal of a bulk solution of the same chlorosomes. The average CD dissymmetry parameter obtained from an ensemble of individual chlorosomes was gs = -0.025, with an intrinsic standard deviation (due to variations between individual chlorosomes) of 0.006. The dissymmetry value is about 2.5 times larger than that obtained at the same wavelength in the bulk solution. The difference can be satisfactorily explained by taking into account the orientation factor in the single-chlorosome experiments. The observed distribution of the dissymmetry parameter reflects the well-ordered nature of the mutant chlorosomes. © 2012 American Chemical Society.

  14. A modeling study of water flow in the vadose zone beneath the Radioactive Waste Management Complex

    International Nuclear Information System (INIS)

    Baca, R.G.; Magnuson, S.O.; Nguyen, H.D.; Martian, P.

    1992-01-01

    A modeling study was conducted for the purpose of gaining insight into the nature of water flow in the vadose zone beneath the Radioactive Waste Management Complex (RWMC). The modeling study focused on three specific hydrologic aspects: (1) relationship between meteorologic conditions and net infiltration, (2) water movement associated with past flooding events, and (3) estimation of water travel-times through the vadose zone. This information is necessary for understanding how contaminants may be transported through the vadose zone. Evaluations of net infiltration at the RWMC were performed by modeling the processes of precipitation, evaporation, infiltration and soil-moisture redistribution. Water flow simulations were performed for two distinct time periods, namely 1955--1964 and 1984--1990. The patterns of infiltration were calculated for both the undisturbed (or natural sediments) and the pit/trench cover materials. Detailed simulations of the 1969 flooding of Pit 10 were performed to estimate the rate and extent of water movement through the vadose zone. Water travel-times through the vadose zone were estimated using a Monte Carlo simulation approach. The simulations accounted for variability of soil and rock hydraulic properties as well as variations in the infiltration rate

  15. Snow cover dynamics and water balance in complex high alpine terrain

    Science.gov (United States)

    Warscher, Michael; Kraller, Gabriele; Kunstmann, Harald; Strasser, Ulrich; Franz, Helmut

    2010-05-01

    The water balance in high alpine regions in its full complexity is so far insufficiently understood. High altitudinal gradients, a strong variability of meteorological variables in time and space, complex hydrogeological situations, unquantified lateral snow transport processes and heterogenous snow cover dynamics result in high uncertainties in the quantification of the water balance. To achieve interpretable modeling results we have complemented the deterministic hydrological model WaSiM-ETH with the high-alpine specific snow model AMUNDSEN. The integration of the new snow module was done to improve the modeling of water fluxes influenced by the dynamics of the snow cover, which greatly affect the water cycle in high alpine regions. To enhance the reproduction of snow deposition and ablation processes, the new approach calculates the energy balance of the snow cover considering the terrain-dependent radiation fluxes, the interaction between tree canopy and snow cover as well as lateral snow transport processes. The test site for our study is the Berchtesgaden National Park which is characterized by an extreme topography with mountain ranges covering an altitude from 607 to 2713 m.a.s.l. About one quarter of the investigated catchment area, which comprises 433 km² in total, is terrain steeper than 35°. Due to water soluble limestone being predominant in the region, a high number of subsurface water pathways (karst) exist. The results of several tracer experiments and extensive data of spring observations provide additional information to meet the challenge of modeling the unknown subsurface pathways and the complex groundwater system of the region. The validation of the new snow module is based on a dense network of meteorological stations which have been adapted to measure physical properties of the snow cover like snow water equivalent and liquid water content. We will present first results which show that the integration of the new snow module generates a

  16. Extraction of uranium from sea water by means of fibrous complex adsorbents

    International Nuclear Information System (INIS)

    Miyamatsu, Tokuhisa; Oguchi, Noboru; Kanchiku, Yoshihiko; Aoyagi, Takanobu

    1982-01-01

    Fibrous complex adsorbents for uranium extraction from sea water were prepared by introducing titanic acid or basic zinc carbonate as effective constituents into fibrous ion exchangers. A fibrous chelate type adsorbent was also tested. Among the adsorbents examined, the following ones demonstrated excellent properties for the recovery of uranium from sea water. a) A fibrous, weakly acidic cation exchanger was treated with titanyl sulfate in aqueous sulfuric acid solution, which was followed by neutralization to afford a fibrous adsorbent containing titanic acid (QC-1f(Ti)). The adsorption capacity for uranium in sea water was estimated by extrapolation to be 50μg-U/g-Ad or 1170 μg-U/g-Ti. b) A fibrous, strongly acidic cation exchanger was treated in a similar way to afford another type of fibrous adsorbent with titanic acid incorporated (QCS-Ti). The adsorption capacity was estimated by extrapolation to be 20-30 μg-U/g-Ad. (author)

  17. Single-Sided Deafness: Impact of Cochlear Implantation on Speech Perception in Complex Noise and on Auditory Localization Accuracy.

    Science.gov (United States)

    Döge, Julia; Baumann, Uwe; Weissgerber, Tobias; Rader, Tobias

    2017-12-01

    To assess auditory localization accuracy and speech reception threshold (SRT) in complex noise conditions in adult patients with acquired single-sided deafness, after intervention with a cochlear implant (CI) in the deaf ear. Nonrandomized, open, prospective patient series. Tertiary referral university hospital. Eleven patients with late-onset single-sided deafness (SSD) and normal hearing in the unaffected ear, who received a CI. All patients were experienced CI users. Unilateral cochlear implantation. Speech perception was tested in a complex multitalker equivalent noise field consisting of multiple sound sources. Speech reception thresholds in noise were determined in aided (with CI) and unaided conditions. Localization accuracy was assessed in complete darkness. Acoustic stimuli were radiated by multiple loudspeakers distributed in the frontal horizontal plane between -60 and +60 degrees. In the aided condition, results show slightly improved speech reception scores compared with the unaided condition in most of the patients. For 8 of the 11 subjects, SRT was improved between 0.37 and 1.70 dB. Three of the 11 subjects showed deteriorations between 1.22 and 3.24 dB SRT. Median localization error decreased significantly by 12.9 degrees compared with the unaided condition. CI in single-sided deafness is an effective treatment to improve the auditory localization accuracy. Speech reception in complex noise conditions is improved to a lesser extent in 73% of the participating CI SSD patients. However, the absence of true binaural interaction effects (summation, squelch) impedes further improvements. The development of speech processing strategies that respect binaural interaction seems to be mandatory to advance speech perception in demanding listening situations in SSD patients.

  18. Validation of single-plane fluoroscopy and 2D/3D shape-matching for quantifying shoulder complex kinematics.

    Science.gov (United States)

    Lawrence, Rebekah L; Ellingson, Arin M; Ludewig, Paula M

    2018-02-01

    Fluoroscopy and 2D/3D shape-matching has emerged as the standard for non-invasively quantifying kinematics. However, its accuracy has not been well established for the shoulder complex when using single-plane fluoroscopy. The purpose of this study was to determine the accuracy of single-plane fluoroscopy and 2D/3D shape-matching for quantifying full shoulder complex kinematics. Tantalum markers were implanted into the clavicle, humerus, and scapula of four cadaveric shoulders. Biplane radiographs were obtained with the shoulder in five humerothoracic elevation positions (arm at the side, 30°, 60°, 90°, maximum). Images from both systems were used to perform marker tracking, while only those images acquired with the primary fluoroscopy system were used to perform 2D/3D shape-matching. Kinematics errors due to shape-matching were calculated as the difference between marker tracking and 2D/3D shape-matching and expressed as root mean square (RMS) error, bias, and precision. Overall RMS errors for the glenohumeral joint ranged from 0.7 to 3.3° and 1.2 to 4.2 mm, while errors for the acromioclavicular joint ranged from 1.7 to 3.4°. Errors associated with shape-matching individual bones ranged from 1.2 to 3.2° for the humerus, 0.5 to 1.6° for the scapula, and 0.4 to 3.7° for the clavicle. The results of the study demonstrate that single-plane fluoroscopy and 2D/3D shape-matching can accurately quantify full shoulder complex kinematics in static positions. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

  19. Thorium–phosphorus triamidoamine complexes containing Th–P single- and multiple-bond interactions

    Science.gov (United States)

    Wildman, Elizabeth P.; Balázs, Gábor; Wooles, Ashley J.; Scheer, Manfred; Liddle, Stephen T.

    2016-01-01

    Despite the burgeoning field of uranium-ligand multiple bonds, analogous complexes involving other actinides remain scarce. For thorium, under ambient conditions only a few multiple bonds to carbon, nitrogen, oxygen, sulfur, selenium and tellurium are reported, and no multiple bonds to phosphorus are known, reflecting a general paucity of synthetic methodologies and also problems associated with stabilising these linkages at the large thorium ion. Here we report structurally authenticated examples of a parent thorium(IV)–phosphanide (Th–PH2), a terminal thorium(IV)–phosphinidene (Th=PH), a parent dithorium(IV)–phosphinidiide (Th–P(H)-Th) and a discrete actinide–phosphido complex under ambient conditions (Th=P=Th). Although thorium is traditionally considered to have dominant 6d-orbital contributions to its bonding, contrasting to majority 5f-orbital character for uranium, computational analyses suggests that the bonding of thorium can be more nuanced, in terms of 5f- versus 6d-orbital composition and also significant involvement of the 7s-orbital and how this affects the balance of 5f- versus 6d-orbital bonding character. PMID:27682617

  20. Stability and Hopf Bifurcation of Fractional-Order Complex-Valued Single Neuron Model with Time Delay

    Science.gov (United States)

    Wang, Zhen; Wang, Xiaohong; Li, Yuxia; Huang, Xia

    2017-12-01

    In this paper, the problems of stability and Hopf bifurcation in a class of fractional-order complex-valued single neuron model with time delay are addressed. With the help of the stability theory of fractional-order differential equations and Laplace transforms, several new sufficient conditions, which ensure the stability of the system are derived. Taking the time delay as the bifurcation parameter, Hopf bifurcation is investigated and the critical value of the time delay for the occurrence of Hopf bifurcation is determined. Finally, two representative numerical examples are given to show the effectiveness of the theoretical results.

  1. Characterization of aquifer heterogeneity in a complex fluvial hydrogeologic system to evaluate migration in ground water

    International Nuclear Information System (INIS)

    Baker, F.G.; Pavlik, H.F.

    1990-01-01

    The hydrogeology and extent of ground water contamination were characterized at a site in northern California. Wood preserving compounds, primarily pentachlorophenol (PCP) and creosote, have been detected in the soil and ground water. A plume of dissolved PCP up to 1.5 miles long has been identified south of the plant. The aquifer consists of a complex multizonal system of permeable gravels and sands composed of units from four geologic formations deposited by the ancestral Feather River. Fluvial channel gravels form the principal aquifer zones and contain overbank clay and silt deposits which locally form clay lenses or more continuous aquitards. The geometric mean horizontal hydraulic conductivities for channel gravels range between 120 to 530 feet/day. Mean vertical aquitard hydraulic conductivity is 0.07 feet/day. Ground water flow is generally southward with a velocity ranging from 470 to 1000 feet/year. The spatial distribution of dissolved PCP in the aquifer documents the interactions between major permeable zones. Hydrostratigraphic evidence pointing to the separation of aquifer zones is supported by the major ion chemistry of ground water. The sodium and calcium-magnesium bicarbonate-rich water present in the upper aquifer zones is significantly different in chemical composition from the predominantly sodium chloride-rich water present in the deeper permeable zone. This indicates that hydrodynamic separation exists between the upper and lower zones of the aquifer, limiting the vertical movement of the PCP plume. A numerical ground water model, based on this conceptual hydrogeologic model, was developed to evaluate groundwater transport pathways and for use in the design of a ground water extraction and treatment system. (9 refs., 7 figs., tab.)

  2. Movement of the water-oil contact during operation of a single well in an inclined stratum

    Energy Technology Data Exchange (ETDEWEB)

    Kazymov, A Sh

    1965-01-01

    In this theoretical study the author develops equations which describe the movement of an oil-water interface toward a single well in an inclined stratum. The equations apply even if viscosities, densities, and permeabilities vary from place to place.

  3. NO Exchange for a Water Molecule Favorably Changes Iontophoretic Release of Ruthenium Complexes to the Skin

    Directory of Open Access Journals (Sweden)

    Danielle C. A. S. de Santana

    2017-01-01

    Full Text Available Ruthenium (Ru complexes have been studied as promising anticancer agents. Ru nitrosyl complex (Ru-NO is one which acts as a pro-drug for the release of nitric oxide (NO. The Ru-aqueous complex formed by the exchange of NO for a water molecule after NO release could also possess therapeutic effects. This study evaluates the influence of iontophoresis on enhancing the skin penetration of Ru-NO and Ru-aqueous and assesses its applicability as a tool in treating diverse skin diseases. Passive and iontophoretic (0.5 mA·cm−2 skin permeation of the complexes were performed for 4 h. The amount of Ru and NO in the stratum corneum (SC, viable epidermis (VE, and receptor solution was quantified while the influence of iontophoresis and irradiation on NO release from Ru-NO complex was also evaluated. Iontophoresis increased the amount of Ru-NO and Ru-aqueous recovered from the receptor solution by 15 and 400 times, respectively, as compared to passive permeation. Iontophoresis produced a higher accumulation of Ru-aqueous in the skin layers as compared to Ru-NO. At least 50% of Ru-NO penetrated the SC was stable after 4 h. The presence of Ru-NO in this skin layer suggests that further controlled release of NO can be achieved by photo-stimulation after iontophoresis.

  4. Horizontal single-trip gravel pack and selective simulation system for deep water extended reach wells

    Energy Technology Data Exchange (ETDEWEB)

    Pineda, Francisco [BJ Services Company, Houston, TX (United States); Vilela, Alvaro; Montanha, Roberto; Acosta, Marco; Farias, Rodrigo [BJ Services do Brasil Ltda., Rio de Janeiro, RJ (Brazil)

    2004-07-01

    Most of the reservoirs located in the deep water and ultra-deep water offshore South America are described as unconsolidated sandstone that require sand control on both producers and water injection wells. Horizontal Open Hole Gravel Pack completions are the preferred method of development. If completing heavy oil reservoirs, there is a necessity of longer horizontal open hole sections. Low fracture gradients may limit the length of gravel pack in the open hole section because of the pressure increase during the Beta wave proppant deposition phase. This system allows the gravel pack assembly to be installed and the gravel pack to be pumped during the alpha and beta wave deposition phases without the limitation of high pressures that could fracture the well. The benefits of the Horizontal Single-Trip Gravel Pack and Selective Stimulation System (HSTSSS) using the differential valve include the ability to complete longer horizontal intervals, valuable rig-time savings and, efficient mechanical diversion of the stimulation fluid. This paper outlines the application of the HSTSSS system using a differential valve to complete a horizontal well in offshore deep waters. The need for a differential valve is primarily in horizontal gravel packing operations when normal circulating rates and pressures around the open hole would exceed formation break down pressure. The valve is intended to be easily spaced out and run in the wash pipe. At a predetermined differential pressure the valve opens and the return flow path distance around the bottom of the tailpipe is shortened, thus reducing back pressure preventing filter cake damage without slowing the pump rate. In addition the said valve has to close to allow the selective stimulation to take place. Economic considerations along with completion efficiencies are especially important on deep water, subsea completions. The utilization of differential valves allows completion of extended-reach open hole wells and/or low fracture

  5. Joint optimization scheduling for water conservancy projects in complex river networks

    Directory of Open Access Journals (Sweden)

    Qin Liu

    2017-01-01

    Full Text Available In this study, we simulated water flow in a water conservancy project consisting of various hydraulic structures, such as sluices, pumping stations, hydropower stations, ship locks, and culverts, and developed a multi-period and multi-variable joint optimization scheduling model for flood control, drainage, and irrigation. In this model, the number of sluice holes, pump units, and hydropower station units to be opened were used as decision variables, and different optimization objectives and constraints were considered. This model was solved with improved genetic algorithms and verified using the Huaian Water Conservancy Project as an example. The results show that the use of the joint optimization scheduling led to a 10% increase in the power generation capacity and a 15% reduction in the total energy consumption. The change in the water level was reduced by 0.25 m upstream of the Yundong Sluice, and by 50% downstream of pumping stations No. 1, No. 2, and No. 4. It is clear that the joint optimization scheduling proposed in this study can effectively improve power generation capacity of the project, minimize operating costs and energy consumption, and enable more stable operation of various hydraulic structures. The results may provide references for the management of water conservancy projects in complex river networks.

  6. Luminescent single-ion magnets from Lanthanoid(III) complexes with monodentate ketone ligands

    Energy Technology Data Exchange (ETDEWEB)

    Kanetomo, Takuya; Ishida, Takayuki, E-mail: takayuki.ishida@uec.ac.jp [Department of Engineering Science, The University of Electro-Communications, Tokyo (Japan)

    2016-02-01

    We synthesized [Ln{sup III}(hfac){sub 3}(H{sub 2}O)(L)] (abbreviated as Ln-L; Ln = Gd, Tb, Eu; L = DTBK (di-t-butyl ketone), BP (benzophenone)), in which the carbonyl oxygen atom was coordinated to the Ln ion center, despite of such bulky substituents. Their crystal structures were determined by means of X-ray diffraction study. Gd-DTBK is completely isomorphous to the di-t-butyl nitroxide derivative and accordingly can be regarded as a model with the ligand spin masked. The ac magnetic susceptibility measurements on Tb-DTBK and -BP showed frequency dependence, characteristic of single-ion magnets. They also displayed photoluminescence in the solid state at room temperature. The quantum yields of the luminescence of Tb-DTBK and -BP (λ{sub ex} = 360 nm) were improved to 57 and 35%, respectively, from that of the starting material [TbI{sup III}(hfac){sub 3}(H{sub 2}O){sub 2}] (28% at λ{sub ex} = 370 nm). Similarly, the quantum yields for Eu-DTBK and -BP were 8 and 15%, respectively, with λ{sub ex} = 400 nm, while that of the starting material [EuI{sup III}(hfac){sub 3}(H{sub 2}O){sub 2}] was 4% at λ{sub ex}=400 nm.

  7. Complex Pattern Formation from Current-Driven Dynamics of Single-Layer Epitaxial Islands on Crystalline Conducting Substrates

    Science.gov (United States)

    Kumar, Ashish; Dasgupta, Dwaipayan; Maroudas, Dimitrios

    We report a systematic study of complex pattern formation resulting from the driven dynamics of single-layer homoepitaxial islands on face-centered cubic (FCC) crystalline conducting substrate surfaces under the action of an externally applied electric field. The analysis is based on an experimentally validated nonlinear model of mass transport via island edge atomic diffusion, which also accounts for edge diffusional anisotropy. We analyze the morphological stability and simulate the field-driven evolution of rounded islands for an electric field oriented along the fast diffusion direction. For larger than critical island sizes on {110} and {100} FCC substrates, we show that multiple necking instabilities generate complex island patterns, including void-containing islands, mediated by sequences of breakup and coalescence events and distributed symmetrically with respect to the electric field direction. We analyze the dependence of the formed patterns on the original island size and on the duration of application of the external field. Starting from a single large rounded island, we characterize the evolution of the number of daughter islands and their average size and uniformity. The analysis reveals that the pattern formation kinetics follows a universal scaling relation. Division of Materials Sciences & Engineering, Office of Basic Energy Sciences, U.S. Department of Energy (Award No.: DE-FG02-07ER46407).

  8. Identification of Zn-vacancy-hydrogen complexes in ZnO single crystals: A challenge to positron annihilation spectroscopy

    Science.gov (United States)

    Brauer, G.; Anwand, W.; Grambole, D.; Grenzer, J.; Skorupa, W.; Čížek, J.; Kuriplach, J.; Procházka, I.; Ling, C. C.; So, C. K.; Schulz, D.; Klimm, D.

    2009-03-01

    A systematic study of various, nominally undoped ZnO single crystals, either hydrothermally grown (HTG) or melt grown (MG), has been performed. The crystal quality has been assessed by x-ray diffraction, and a comprehensive estimation of the detailed impurity and hydrogen contents by inductively coupled plasma mass spectrometry and nuclear reaction analysis, respectively, has been made also. High precision positron lifetime experiments show that a single positron lifetime is observed in all crystals investigated, which clusters at 180-182 ps and 165-167 ps for HTG and MG crystals, respectively. Furthermore, hydrogen is detected in all crystals in a bound state with a high concentration (at least 0.3at.% ), whereas the concentrations of other impurities are very small. From ab initio calculations it is suggested that the existence of Zn-vacancy-hydrogen complexes is the most natural explanation for the given experimental facts at present. Furthermore, the distribution of H at a metal/ZnO interface of a MG crystal, and the H content of a HTG crystal upon annealing and time afterward has been monitored, as this is most probably related to the properties of electrical contacts made at ZnO and the instability in p -type conductivity observed at ZnO nanorods in literature. All experimental findings and presented theoretical considerations support the conclusion that various types of Zn-vacancy-hydrogen complexes exist in ZnO and need to be taken into account in future studies, especially for HTG materials.

  9. [Single procedure treatment of complex nephrolithiasis: about a modern series of anatrophic nephrolithotomy].

    Science.gov (United States)

    Lunardi, P; Timsit, M O; Roumiguie, M; Dariane, C; N'Guyen, K; Beauval, J B; Leroux, S

    2015-02-01

    Advances in endourology have significantly reduced indications of open surgery in the treatment of staghorn calculi. However, in our experience, open surgery is still the treatment of choice in some cases. This study presents the results of a series of selected patients and discusses the results in terms of efficacy and morbidity. A cohort of 26 patients underwent anatrophic nephrolithotomy by lombotomy to treat a complex staghorn calculus. The mean stone size was 68,5mm, 70% were complete staghorn calculi. The operative time was 100minutes. Blood loss was 225mL, with a postoperative transfusion rate of 15.4%. The hospital stay was 8.4 days. The stone free rate following the procedure was 92%. The creatinine clearance (MDRD) at 3 months was improved from 5.9mL/min/m(2) on average over the entire series. There are clearly still indications for open surgery in staghorn stones management, with good results in this contemporary series on both stone removal and nephronic preservation. Yet, it appears that this technique is no longer taught. 5. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  10. Effects of rolling on characteristics of single-phase water flow in narrow rectangular ducts

    International Nuclear Information System (INIS)

    Xing Dianchuan; Yan Changqi; Sun Licheng; Xu Chao

    2012-01-01

    Highlights: ► Mass flow rate and friction pressure drop with different pressure head are compared. ► The effect of pressure head on flow fluctuation is considered theoretically. ► Time-mean and real-time friction pressure drop in different rolling motion are studied. ► Rolling motion influences the fluctuation of friction pressure drop in two aspects. ► New correlation for frictional coefficient in rolling motion is achieved. - Abstract: Experimental and theoretical studies of rolling effects on characteristics of single-phase water flow in narrow rectangular ducts are performed under ambient temperature and pressure. Two types of pressure head are supplied by elevate water tank and pump respectively. The results show that the frictional pressure drop under rolling condition fluctuates periodically, with its amplitude decaying as mean Reynolds number increase and the rolling amplitude decrease, while the amplitude is nearly invariable with rolling period. Rolling motion influences the fluctuation amplitude of frictional pressure drop in two aspects, on the one hand, rolling reduced periodical pulsing flow leads to the fluctuation of the frictional pressure drop, on the other hand, additional force acting on fluid near the wall due to the rolling motion makes local frictional resistance oscillate periodically. The mass flow rate oscillates periodically in rolling motion with the pressure head supplied by water tank, while its fluctuation is so weak that could be neglected for the case of the pressure head supplied by pump. An empirical correlation for the frictional coefficient under rolling condition is achieved, and the experimental data is well correlated. A mathematical model is also developed to study the effect of pressure head on mass flow rate fluctuation in rolling motion. The fluctuation amplitude of the mass flow rate decreases rapidly with a higher pressure head. Comparing with the vertical condition, rolling motion nearly has no effects on

  11. Microwave-assisted headspace single-drop microextration of chlorobenzenes from water samples

    Energy Technology Data Exchange (ETDEWEB)

    Vidal, Lorena [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, P.O. Box 99, E-03080 Alicante (Spain); Domini, Claudia E. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, P.O. Box 99, E-03080 Alicante (Spain); Grane, Nuria [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, P.O. Box 99, E-03080 Alicante (Spain); Psillakis, Elefteria [Department of Environmental Engineering, Technical University of Crete, Polytechneioupolis, GR-73100 Chania, Crete (Greece); Canals, Antonio [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, P.O. Box 99, E-03080 Alicante (Spain)]. E-mail: a.canals@ua.es

    2007-05-29

    A one-step and in-situ sample preparation method used for quantifying chlorobenzene compounds in water samples has been developed, coupling microwave and headspace single-drop microextraction (MW-HS-SDME). The chlorobenzenes in water samples were extracted directly onto an ionic liquid single-drop in headspace mode under the aid of microwave radiation. For optimization, a Plackett-Burman screening design was initially used, followed by a mixed-level factorial design. The factors considered were: drop volume, aqueous sample volume, stirring speed, ionic strength, extraction time, ionic liquid type, microwave power and length of the Y-shaped glass-tube. The optimum experimental conditions found from this statistical evaluation were: a 5 {mu}L microdrop of 1-hexyl-3-methylimidazolium hexafluorophosphate exposed for 20 min to the headspace of a 30 mL aqueous sample, irradiated by microwaves at 200 W and placed in a 50 mL spherical flask connected to a 25 cm Y-shaped glass-tube. Under the optimised experimental conditions, the response of a high performance liquid chromatographic system was found to be linear over the range studied and with correlation coefficients ranging between 0.9995 and 0.9999. The method showed a good level of repeatability, with relative standard deviations varying between 2.3 and 8.3% (n = 5). Detection limits were found in the low {mu}g L{sup -1} range varying between 0.016 and 0.039 {mu}g L{sup -1}. Overall, the performance of the proposed method demonstrated the favourable effect of microwave sample irradiation upon HS-SDME. Finally, recovery studies from different types of environmental water samples revealed that matrix had little effect upon extraction.

  12. Microwave-assisted headspace single-drop microextration of chlorobenzenes from water samples

    International Nuclear Information System (INIS)

    Vidal, Lorena; Domini, Claudia E.; Grane, Nuria; Psillakis, Elefteria; Canals, Antonio

    2007-01-01

    A one-step and in-situ sample preparation method used for quantifying chlorobenzene compounds in water samples has been developed, coupling microwave and headspace single-drop microextraction (MW-HS-SDME). The chlorobenzenes in water samples were extracted directly onto an ionic liquid single-drop in headspace mode under the aid of microwave radiation. For optimization, a Plackett-Burman screening design was initially used, followed by a mixed-level factorial design. The factors considered were: drop volume, aqueous sample volume, stirring speed, ionic strength, extraction time, ionic liquid type, microwave power and length of the Y-shaped glass-tube. The optimum experimental conditions found from this statistical evaluation were: a 5 μL microdrop of 1-hexyl-3-methylimidazolium hexafluorophosphate exposed for 20 min to the headspace of a 30 mL aqueous sample, irradiated by microwaves at 200 W and placed in a 50 mL spherical flask connected to a 25 cm Y-shaped glass-tube. Under the optimised experimental conditions, the response of a high performance liquid chromatographic system was found to be linear over the range studied and with correlation coefficients ranging between 0.9995 and 0.9999. The method showed a good level of repeatability, with relative standard deviations varying between 2.3 and 8.3% (n = 5). Detection limits were found in the low μg L -1 range varying between 0.016 and 0.039 μg L -1 . Overall, the performance of the proposed method demonstrated the favourable effect of microwave sample irradiation upon HS-SDME. Finally, recovery studies from different types of environmental water samples revealed that matrix had little effect upon extraction

  13. Chemical and morphological modifications of single layer graphene submitted to annealing in water vapor

    Science.gov (United States)

    Rolim, Guilherme Koszeniewski; Corrêa, Silma Alberton; Galves, Lauren Aranha; Lopes, João Marcelo J.; Soares, Gabriel Vieira; Radtke, Cláudio

    2018-01-01

    Modifications of single layer graphene transferred to SiO2/Si substrates resulting from annealing in water vapor were investigated. Near edge X-ray absorption fine structure spectroscopy evidenced graphene puckering between 400 and 500 °C. Synchrotron radiation based X-ray photoelectron spectroscopy showed variation of sp2 and sp3C bonding configurations specially in this same temperature range. Moreover, oxygen related functionalities are formed as a result of water vapor annealing. Based on these results and complementary Raman and nuclear reaction analysis, one distinguishes three different regimes of water interaction with graphene concerning modifications of the graphene layer. In the low temperature range (200-400 °C), no prominent modification of graphene itself is observed. At higher temperatures (400-500 °C), to accommodate newly formed oxygen functionalities, the flat and continuous sp2 bonding network of graphene is disrupted, giving rise to a puckered layer. For 600 °C and above, shrinking of graphene domains and a higher doping level take place.

  14. Bond rearrangement caused by sudden single and multiple ionization of water molecules

    International Nuclear Information System (INIS)

    Ben-Itzhak, I.; Sayler, A. Max; Leonard, M.; Maseberg, J.W.; Hathiramani, D.; Wells, E.; Smith, M.A.; Xia, Jiangfan; Wang, Pengqian; Carnes, K.D.; Esry, B.D.

    2005-01-01

    Bond rearrangement, namely the dissociation of water into H 2 + +O q+ following ionization by fast proton and highly charged ion impact, was investigated. Single ionization by fast proton impact exhibits a strong isotopic effect, the dissociation of H 2 O + ->H 2 + +O being about twice as likely as D 2 O + ->D 2 + +O, with HDO + ->HD + +O in between. This suggests that the bond rearrangement does not happen during the slow dissociation, but rather during the very fast ionization, and thus H 2 + should also be produced when the water molecule is multiply ionized. We observed that the H 2 + +O + and H 2 + +O 2+ production in 1MeV/amu F 7+ +H 2 O collisions are 0.209+/-0.006% and 0.0665+/-0.003%, respectively, of the main double-ionization dissociation product, H 2 O 2+ ->H + +OH + . This ratio is similar to the triple to double ionization ratio in similar collisions with atomic targets thus suggesting that the bond-rearrangement fraction out of each ionization level is approximately constant. Similar dissociation channels in the heavier water isotopes, which are expected to be smaller, are under study. Finally, the fragmentation of HDO exhibits very strong isotopic preference for breaking the OH bond over the OD bond

  15. Hybrid Nanomaterials with Single-Site Catalysts by Spatially Controllable Immobilization of Nickel Complexes via Photoclick Chemistry for Alkene Epoxidation.

    Science.gov (United States)

    Ghosh, Dwaipayan; Febriansyah, Benny; Gupta, Disha; Ng, Leonard Kia-Sheun; Xi, Shibo; Du, Yonghua; Baikie, Tom; Dong, ZhiLi; Soo, Han Sen

    2018-05-22

    Catalyst deactivation is a persistent problem not only for the scientific community but also in industry. Isolated single-site heterogeneous catalysts have shown great promise to overcome these problems. Here, a versatile anchoring strategy for molecular complex immobilization on a broad range of semiconducting or insulating metal oxide ( e. g., titanium dioxide, mesoporous silica, cerium oxide, and tungsten oxide) nanoparticles to synthesize isolated single-site catalysts has been studied systematically. An oxidatively stable anchoring group, maleimide, is shown to form covalent linkages with surface hydroxyl functionalities of metal oxide nanoparticles by photoclick chemistry. The nanocomposites have been thoroughly characterized by techniques including UV-visible diffuse reflectance spectroscopy, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, infrared spectroscopy, and X-ray absorption spectroscopy (XAS). The IR spectroscopic studies confirm the covalent linkages between the maleimide group and surface hydroxyl functionalities of the oxide nanoparticles. The hybrid nanomaterials function as highly efficient catalysts for essentially quantitative oxidations of terminal and internal alkenes and show molecular catalyst product selectivities even in more eco-friendly solvents. XAS studies verify the robustness of the catalysts after several catalytic cycles. We have applied the photoclick anchoring methodology to precisely control the deposition of a luminescent variant of our catalyst on the metal oxide nanoparticles. Overall, we demonstrate a general approach to use irradiation to anchor molecular complexes on oxide nanoparticles to create recyclable, hybrid, single-site catalysts that function with high selectivity in a broad range of solvents. We have achieved a facile, spatially and temporally controllable photoclick method that can potentially be extended to other ligands, catalysts, functional molecules, and surfaces.

  16. Hydrogeological study of single water conducting fracture using a crosshole hydraulic test apparatus

    International Nuclear Information System (INIS)

    Yamamoto, Hajime; Shimo, Michito; Yamamoto, Takuya

    1998-03-01

    The Crosshole Injection Test Apparatus has been constructed to evaluate the hydraulic properties and conditions, such as hydraulic conductivity and its anisotropy, storage coefficient, pore pressure etc. within a rock near a drift. The construction started in FY93 and completed on August FY96 as a set of equipments for the use of crosshole hydraulic test, which is composed of one injection borehole instrument, one observation borehole instrument and a set of on-ground instrument. In FY96, in-situ feasibility test was conducted at a 550 m level drift in Kamaishi In Situ Test Site which has been operated by PNC, and the performance of the equipment and its applicability to various types of injection method were confirmed. In this year, a hydrogeological investigation on the single water conducting fracture was conducted at a 250 m level drift in Kamaishi In Situ Test Site, using two boreholes, KCH-3 and KCH-4, both of which are 30 m depth and inclined by 45 degrees from the surface. Pressure responses at the KCH-3 borehole during the drilling of KCH-4 borehole, the results of Borehole TV logging and core observation indicated that a major conductive single-fracture was successfully isolated by the packers. As a result of a series of the single-hole and the crosshole tests (sinusoidal and constant flowrate test), the hydraulic parameters of the single-fracture (such as hydraulic conductivity and storage coefficient) were determined. This report shows all the test result, analysed data, and also describes the hydro-geological structure near the drift. (author)

  17. The MARVEL domain protein, Singles Bar, is required for progression past the pre-fusion complex stage of myoblast fusion.

    Science.gov (United States)

    Estrada, Beatriz; Maeland, Anne D; Gisselbrecht, Stephen S; Bloor, James W; Brown, Nicholas H; Michelson, Alan M

    2007-07-15

    Multinucleated myotubes develop by the sequential fusion of individual myoblasts. Using a convergence of genomic and classical genetic approaches, we have discovered a novel gene, singles bar (sing), that is essential for myoblast fusion. sing encodes a small multipass transmembrane protein containing a MARVEL domain, which is found in vertebrate proteins involved in processes such as tight junction formation and vesicle trafficking where--as in myoblast fusion--membrane apposition occurs. sing is expressed in both founder cells and fusion competent myoblasts preceding and during myoblast fusion. Examination of embryos injected with double-stranded sing RNA or embryos homozygous for ethane methyl sulfonate-induced sing alleles revealed an identical phenotype: replacement of multinucleated myofibers by groups of single, myosin-expressing myoblasts at a stage when formation of the mature muscle pattern is complete in wild-type embryos. Unfused sing mutant myoblasts form clusters, suggesting that early recognition and adhesion of these cells are unimpaired. To further investigate this phenotype, we undertook electron microscopic ultrastructural studies of fusing myoblasts in both sing and wild-type embryos. These experiments revealed that more sing mutant myoblasts than wild-type contain pre-fusion complexes, which are characterized by electron-dense vesicles paired on either side of the fusing plasma membranes. In contrast, embryos mutant for another muscle fusion gene, blown fuse (blow), have a normal number of such complexes. Together, these results lead to the hypothesis that sing acts at a step distinct from that of blow, and that sing is required on both founder cell and fusion-competent myoblast membranes to allow progression past the pre-fusion complex stage of myoblast fusion, possibly by mediating fusion of the electron-dense vesicles to the plasma membrane.

  18. Max-Min SINR in Large-Scale Single-Cell MU-MIMO: Asymptotic Analysis and Low Complexity Transceivers

    KAUST Repository

    Sifaou, Houssem

    2016-12-28

    This work focuses on the downlink and uplink of large-scale single-cell MU-MIMO systems in which the base station (BS) endowed with M antennas communicates with K single-antenna user equipments (UEs). Particularly, we aim at reducing the complexity of the linear precoder and receiver that maximize the minimum signal-to-interference-plus-noise ratio subject to a given power constraint. To this end, we consider the asymptotic regime in which M and K grow large with a given ratio. Tools from random matrix theory (RMT) are then used to compute, in closed form, accurate approximations for the parameters of the optimal precoder and receiver, when imperfect channel state information (modeled by the generic Gauss-Markov formulation form) is available at the BS. The asymptotic analysis allows us to derive the asymptotically optimal linear precoder and receiver that are characterized by a lower complexity (due to the dependence on the large scale components of the channel) and, possibly, by a better resilience to imperfect channel state information. However, the implementation of both is still challenging as it requires fast inversions of large matrices in every coherence period. To overcome this issue, we apply the truncated polynomial expansion (TPE) technique to the precoding and receiving vector of each UE and make use of RMT to determine the optimal weighting coefficients on a per- UE basis that asymptotically solve the max-min SINR problem. Numerical results are used to validate the asymptotic analysis in the finite system regime and to show that the proposed TPE transceivers efficiently mimic the optimal ones, while requiring much lower computational complexity.

  19. On the origin of donor O–H bond weakening in phenol-water complexes

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Pujarini; Mukhopadhyay, Deb Pratim; Chakraborty, Tapas, E-mail: pctc@iacs.res.in [Department of Physical Chemistry, Indian Association for the Cultivation of Science, Kolkata 700032 (India)

    2015-11-28

    Matrix isolation infrared spectroscopy has been used to investigate intermolecular interactions in a series of binary O–H⋯O hydrogen bonded phenol-water complexes where water is the common acceptor. The interaction at the binding site has been tuned by incorporating multiple fluorine substitutions at different aromatic ring sites of the phenol moiety. The spectral effects for the aforesaid chemical changes are manifested in the infrared spectra of the complexes as systematic increase in spectral shift of the phenolic O–H stretching fundamental (Δν{sub O–H}). While ν{sub O–H} bands of the monomers of all the fluorophenols appear within a very narrow frequency range, the increase in Δν{sub O–H} of the complexes from phenol to pentafluorophenol is very large, nearly 90%. The observed values of Δν{sub O–H} do not show a linear correlation with the total binding energies (ΔE{sub b}) of the complexes, expected according to Badger-Bauer rule. However, in the same Δν{sub O–H} vs ΔE{sub b} plot, nice linear correlations are revealed if the complexes of ortho-fluorophenols are treated separately from their meta/para-substituted analogues. The observations imply that in spite of having the same binding site (O–H⋯O) and the same chemical identities (phenolic), the complexes of ortho and non-ortho fluorophenols do not belong, from the viewpoint of detailed molecular interactions, to a homologous series. Linear correlations of Δν{sub O–H} are, however, observed with respect to the electrostatic component of ΔE{sub b} as well as the quantum mechanical charge transfer interaction energy (E{sub CT}). From quantitative viewpoint, the latter correlation along with the associated electronic structure parameters appears more satisfactory. It has also been noted that the observed Δν{sub O–H} values of the complexes display a linear relationship with the aqueous phase pK{sub a} values of the respective phenol derivatives.

  20. Response of single bacterial cells to stress gives rise to complex history dependence at the population level

    Science.gov (United States)

    Mathis, Roland; Ackermann, Martin

    2016-01-01

    Most bacteria live in ever-changing environments where periods of stress are common. One fundamental question is whether individual bacterial cells have an increased tolerance to stress if they recently have been exposed to lower levels of the same stressor. To address this question, we worked with the bacterium Caulobacter crescentus and asked whether exposure to a moderate concentration of sodium chloride would affect survival during later exposure to a higher concentration. We found that the effects measured at the population level depended in a surprising and complex way on the time interval between the two exposure events: The effect of the first exposure on survival of the second exposure was positive for some time intervals but negative for others. We hypothesized that the complex pattern of history dependence at the population level was a consequence of the responses of individual cells to sodium chloride that we observed: (i) exposure to moderate concentrations of sodium chloride caused delays in cell division and led to cell-cycle synchronization, and (ii) whether a bacterium would survive subsequent exposure to higher concentrations was dependent on the cell-cycle state. Using computational modeling, we demonstrated that indeed the combination of these two effects could explain the complex patterns of history dependence observed at the population level. Our insight into how the behavior of single cells scales up to processes at the population level provides a perspective on how organisms operate in dynamic environments with fluctuating stress exposure. PMID:26960998

  1. Self-assembly of a 3d-5f trinuclear single-molecule magnet from a pentavalent uranyl complex

    International Nuclear Information System (INIS)

    Chatelain, Lucile; Pecaut, Jacques; Walsh, James P.S.; Tuna, Floriana; Mazzanti, Marinella

    2014-01-01

    Mixed-metal uranium compounds are very attractive candidates in the design of single-molecule magnets (SMMs), but only one 3d-5f hetero-polymetallic SMM containing a uranium center is known. Herein, we report two trimeric heterodimetallic 3d-5f complexes self-assembled by cation-cation interactions between a uranyl(V) complex and a TPA-capped M II complex (M=Mn (1), Cd (2); TPA=tris(2-pyridylmethyl)amine). The metal centers were strategically chosen to promote the formation of discrete molecules rather than extended chains. Compound 1, which contains an almost linear {Mn-O=U=O-Mn} core, exhibits SMM behavior with a relaxation barrier of 81±0.5 K - the highest reported for a mono-uranium system - arising from intramolecular Mn-U exchange interactions combined with the high Ising anisotropy of the uranyl(V) moiety. Compound 1 also exhibits an open magnetic hysteresis loop at temperatures less than 3 K, with a significant coercive field of 1.9 T at 1.8 K.

  2. Self-assembly of a 3d-5f trinuclear single-molecule magnet from a pentavalent uranyl complex

    Energy Technology Data Exchange (ETDEWEB)

    Chatelain, Lucile; Pecaut, Jacques [CEA-Grenoble (France). Lab. de Reconnaissance Ionique et Chimie de Coordination SCIB; Walsh, James P.S.; Tuna, Floriana [Manchester Univ. (United Kingdom). School of Chemistry and Photon Science Inst.; Mazzanti, Marinella [Ecole Polytechnique Federale de Lausanne (EPFL) (Switzerland). Inst. de Sciences et Ingenierie Chimiques

    2014-12-01

    Mixed-metal uranium compounds are very attractive candidates in the design of single-molecule magnets (SMMs), but only one 3d-5f hetero-polymetallic SMM containing a uranium center is known. Herein, we report two trimeric heterodimetallic 3d-5f complexes self-assembled by cation-cation interactions between a uranyl(V) complex and a TPA-capped M{sup II} complex (M=Mn (1), Cd (2); TPA=tris(2-pyridylmethyl)amine). The metal centers were strategically chosen to promote the formation of discrete molecules rather than extended chains. Compound 1, which contains an almost linear {Mn-O=U=O-Mn} core, exhibits SMM behavior with a relaxation barrier of 81±0.5 K - the highest reported for a mono-uranium system - arising from intramolecular Mn-U exchange interactions combined with the high Ising anisotropy of the uranyl(V) moiety. Compound 1 also exhibits an open magnetic hysteresis loop at temperatures less than 3 K, with a significant coercive field of 1.9 T at 1.8 K.

  3. Post-cardiotomy extracorporeal cardiopulmonary resuscitation in neonates with complex single ventricle: analysis of outcomes.

    Science.gov (United States)

    Polimenakos, Anastasios C; Wojtyla, Patrice; Smith, Pamela J; Rizzo, Vincent; Nater, Melissa; El Zein, Chawki F; Ilbawi, Michel N

    2011-12-01

    Extracorporeal cardiopulmonary resuscitation (ECPR) in children with cardiac arrest refractory to conventional cardiopulmonary resuscitation (CPR) has been reported with encouraging results. We sought to review outcomes of neonates with functional single ventricle (FSV) receiving post-cardiotomy ECPR. Forty-eight patients who required post-cardiotomy extracorporeal membrane oxygenation (ECMO) since the introduction of our ECPR protocol (January 2007-December 2009) were identified. Twenty-seven were neonates. Review of records and survival analysis were conducted. Of 27 neonates receiving post-cardiotomy ECMO 20 had FSV. Fourteen had ECPR. Ten underwent Norwood operation (NO) for hypoplastic left heart syndrome (HLHS). Four had FSV other than HLHS. Three underwent Damus-Kay-Stansel or modified NO with systemic-to-pulmonary shunt (SPS) and one SPS with anomalous pulmonary venous connection repair. Mean age and weight were 7.8 ± 2.9 days and 3.44 ± 1.78 kg, respectively. ECMO median duration was 6 days (interquartile range (IQR) 3-14). Survival to ECMO discontinuation was 79% (11 of 14 patients) and at hospital discharge was 57% (8 of 14 patients). The most common cause of death was multi-organ failure (four of six deaths). At last follow-up (median: 11 months (1-34)) 43% of patients were alive. CPR mean duration for patients with favorable versus unfavorable outcome was 38.6 ± 6.3 versus 42.1 ± 7.7 min (p = 0.12). Previously reported determinants for poorer prognosis in conventional non-rescue ECMO (such as pre-ECMO pH0.05). ECMO support in neonates with FSV requiring ECPR can result in favorable outcome in more than half of patients at hospital discharge. Aggressive strategy toward timely application of ECPR is justified. Expeditious ECPR deployment after proper patients' selection, refinement of CPR quality and use of adjunctive neuroprotective interventions, such as induced hypothermia, might further improve outcomes. Copyright © 2011 European Association for

  4. A complex network based model for detecting isolated communities in water distribution networks

    Science.gov (United States)

    Sheng, Nan; Jia, Youwei; Xu, Zhao; Ho, Siu-Lau; Wai Kan, Chi

    2013-12-01

    Water distribution network (WDN) is a typical real-world complex network of major infrastructure that plays an important role in human's daily life. In this paper, we explore the formation of isolated communities in WDN based on complex network theory. A graph-algebraic model is proposed to effectively detect the potential communities due to pipeline failures. This model can properly illustrate the connectivity and evolution of WDN during different stages of contingency events, and identify the emerging isolated communities through spectral analysis on Laplacian matrix. A case study on a practical urban WDN in China is conducted, and the consistency between the simulation results and the historical data are reported to showcase the feasibility and effectiveness of the proposed model.

  5. New strategies in actinide separation - water-soluble complexing agents for the innovative SANEX process

    International Nuclear Information System (INIS)

    Ruff, Christian M.; Muelllich, Udo; Geist, Andreas; Panak, Petra J.

    2012-01-01

    Reduction of the radiotoxicity and thermal output of radioactive wastes prior to their permanent disposal is a topic of extreme interest for the issue of final nuclear waste disposal. One possibility to this end is a process referred to as actinide separation. This process can be optimised by means of a newly developed water-soluble molecule, as has been shown in studies on the molecule's complex chemistry using ultra-modern laser-based spectroscopy methods under process-relevant reaction conditions. Through the use of curium (III) and europium (III), which as members of the trivalent actinides and lanthanides family have excellent spectroscopic properties, it has been possible to generate spectroscopic and thermodynamic data which will facilitate our understanding of the complex chemistry and extraction chemistry of this molecule family.

  6. On the freezing behavior and diffusion of water in proximity to single-supported zwitterionic and anionic bilayer lipid membranes

    DEFF Research Database (Denmark)

    Miskowiec, A.; Buck, Z. N.; Brown, M. C.

    2014-01-01

    We compare the freezing/melting behavior of water hydrating single-supported bilayers of a zwitterionic lipid DMPC with that of an anionic lipid DMPG. For both membranes, the temperature dependence of the elastically scattered neutron intensity indicates distinct water types undergoing...... translational diffusion: bulk-like water probably located above the membrane and two types of confined water closer to the lipid head groups. The membranes differ in the greater width of the water freezing transition near the anionic DMPG bilayer compared to zwitterionic DMPC as well as in the abruptness...

  7. Ambition, Regulation and Reality. Complex use of land and water resources in Luwu, South Sulawesi, Indonesia

    OpenAIRE

    Roth, D.

    2003-01-01

    In this book I present three case studies of the complex regulation of use of land and water resources in Luwu. Attention to the role of legalcomplexity -the existence of different sources and definitions of normative-legal regulation in the same socio-political space - is an important conceptual point of departure of this study. Each of the three case study sections contains specific conclusions pertaining to the issues involved. The last chapter of the book (chapter 11) is primarily a refle...

  8. The water desalination complex based on ABV-type reactor plant

    International Nuclear Information System (INIS)

    Panov, Yu.K.; Fadeev, Yu.P.; Vorobiev, V.M.; Baranaev, Yu.D.

    1997-01-01

    A floating nuclear desalination complex with two barges, one for ABV type reactor plant, with twin reactor 2 x 6 MW(e), and one for reverse osmosis desalination plant, was described. The principal specifications of the ABV type reactor plant and desalination barge were given. The ABV type reactor has a traditional two-circuit layout using an integral type reactor vessel with all mode natural convection of primary coolant. The desalted water cost was estimated to be around US $0.86 per cubic meter. R and D work has been performed and preparations for commercial production are under way. (author)

  9. Hydrodynamic analysis of floating platform for special purposes under complex water environment

    Science.gov (United States)

    Ma, Guang-ying; Yao, Yun-long

    2018-03-01

    This article studied a new floating offshore platform for special purposes, which was assembled by standard floating modules. By using ANSYS AQWA software, the hydrodynamic model of the platform was established. The time history responses of the platform motions and the cable tension forces were calculate under complex water environments, such as wind, wave, current and mooring. The results showed that the tension of the four cables are far less than the breaking tension of the cable, so that the cable will not break. This study can be referenced by the relevant researchers and engineers.

  10. A direct ab initio molecular dynamics (MD) study on the benzophenone-water 1 : 1 complex.

    Science.gov (United States)

    Tachikawa, Hiroto; Iyama, Tetsuji; Kato, Kohichi

    2009-07-28

    Direct ab initio molecular dynamics (MD) method has been applied to a benzophenone-water 1 : 1 complex Bp(H(2)O) and free benzophenone (Bp) to elucidate the effects of zero-point energy (ZPE) vibration and temperature on the absorption spectra of Bp(H(2)O). The n-pi transition of free-Bp (S(1) state) was blue-shifted by the interaction with a water molecule, whereas three pi-pi transitions (S(2), S(3) and S(4)) were red-shifted. The effects of the ZPE vibration and temperature of Bp(H(2)O) increased the intensity of the n-pi transition of Bp(H(2)O) and caused broadening of the pi-pi transitions. In case of the temperature effect, the intensity of n-pi transition increases with increasing temperature. The electronic states of Bp(H(2)O) were discussed on the basis of the theoretical results.

  11. Catalytic Water Oxidation by a Bio-inspired Nickel Complex with Redox Active Ligand

    Science.gov (United States)

    Wang, Dong; Bruner, Charlie O.

    2017-01-01

    The oxidation of water to dioxygen is important in natural photosynthesis. One of nature’s strategies for managing such multi-electron transfer reactions is to employ redox active metal-organic cofactor arrays. One prototype example is the copper-tyrosinate active site found in galactose oxidase. In this work, we have implemented such a strategy to develop a bio-inspired nickel-phenolate complex capable of catalyzing the oxidation of water to O2 electrochemically at neutral pH with a modest overpotential. The employment of the redox-active ligand turned out to be a useful strategy to avoid the formation of high-valent nickel intermediates while a reasonable turnover rate (0.15 s−1) is retained. PMID:29099176

  12. Integrating water and agricultural management: collaborative governance for a complex policy problem.

    Science.gov (United States)

    Fish, Rob D; Ioris, Antonio A R; Watson, Nigel M

    2010-11-01

    This paper examines governance requirements for integrating water and agricultural management (IWAM). The institutional arrangements for the agriculture and water sectors are complex and multi-dimensional, and integration cannot therefore be achieved through a simplistic 'additive' policy process. Effective integration requires the development of a new collaborative approach to governance that is designed to cope with scale dependencies and interactions, uncertainty and contested knowledge, and interdependency among diverse and unequal interests. When combined with interdisciplinary research, collaborative governance provides a viable normative model because of its emphasis on reciprocity, relationships, learning and creativity. Ultimately, such an approach could lead to the sorts of system adaptations and transformations that are required for IWAM. Copyright © 2009 Elsevier B.V. All rights reserved.

  13. Performance characteristics of single effect lithium bromide/ water absorption chiller for small data centers

    Science.gov (United States)

    Mysore, Abhishek Arun Babu

    A medium data center consists of servers performing operations such as file sharing, collaboration and email. There are a large number of small and medium data centers across the world which consume more energy and are less efficient when compared to large data center facilities of companies such as GOOGLE, APPLE and FACEBOOK. Such companies are making their data center facilities more environmental friendly by employing renewable energy solutions such as wind and solar to power the data center or in data center cooling. This not only reduces the carbon footprint significantly but also decreases the costs incurred over a period of time. Cooling of data center play a vital role in proper functioning of the servers. It is found that cooling consumes about 50% of the total power consumed by the data center. Traditional method of cooling includes the use of mechanical compression chillers which consume lot of power and is not desirable. In order to eliminate the use of mechanical compressor chillers renewable energy resources such as solar and wind should be employed. One such technology is solar thermal cooling by means of absorption chiller which is powered by solar energy. The absorption chiller unit can be coupled with either flat plate or evacuated tube collectors in order to achieve the required inlet temperature for the generator of the absorption chiller unit. In this study a modular data center is considered having a cooling load requirement of 23kw. The performance characteristics of a single stage Lithium Bromide/ water refrigeration is presented in this study considering the cooling load of 23kw. Performance characteristics of each of the 4 heat exchangers within the unit is discussed which helps in customizing the unit according to the users' specific needs. This analysis helps in studying the importance of different properties such as the effect of inlet temperatures of hot water for generator, inlet temperatures of cooling water for absorber and

  14. The high water solubility of inclusion complex of taxifolin-γ-CD prepared and characterized by the emulsion solvent evaporation and the freeze drying combination method.

    Science.gov (United States)

    Zu, Yuangang; Wu, Weiwei; Zhao, Xiuhua; Li, Yong; Zhong, Chen; Zhang, Yin

    2014-12-30

    This study selected γ-cyclodextrin (γ-CD) as the inclusion material and prepared inclusion complex of taxifolin-γ-CD by the emulsion solvent evaporation and the freeze drying combination method to achieve the improvement of the solubility and oral bioavailability of taxifolin. We selected ethyl acetate as the oil phase, deionized water as the water phase. The taxifolin emulsion was prepared using adjustable speed homogenate machine in the process of this experiment, whose particle size was related to the concentration of taxifolin solution, the volume ratio of water phase to oil phase, the speed and time of homogenate. We knew through the single-factor test that, the optimum conditions were: the concentration of taxifolin solution was 40 mg/ml, the volume ratio of water phase to oil phase was 1.5, the speed of homogenate was 5,000 rpm, the homogenate time was 11 min. Taxifolin emulsion with a MPS of 142.5 nm was obtained under the optimum conditions, then the high-concentration taxifolin solution (3mg/ml) was obtained by the rotary evaporation process. Finally, the inclusion complex of taxifolin-γ-CD was prepared by vacuum freeze-dry. The characteristics of the inclusion complex of taxifolin-γ-CD were analyzed using SEM, FTIR, XRD, DSC, and TG. The FTIR results analyzed the interaction of taxifolin and γ-CD and determined the molecular structure of the inclusion complex of taxifolin-γ-CD. The analysis results of XRD, DSC and TG indicated that the inclusion complex of taxifolin-γ-CD was obtained and showed significantly different characteristics with taxifolin. In addition, dissolving capability test, antioxidant capacity test, solvent residue test were also carried out. The experimental datas showed that the solubility of inclusion complex of taxifolin-γ-CD at 25°C and 37°C were about 18.5 times and 19.8 times of raw taxifolin, the dissolution rate of inclusion complex of taxifolin-γ-CD were about 2.84 times of raw taxifolin, the bioavailability of

  15. Management of quarry water and solid wastes from the San Rafael Mining and Manufacturing Complex

    International Nuclear Information System (INIS)

    Asenjo, Armando R.; Perrino, Juan F.

    2006-01-01

    San Rafael Mining and Milling Complex is located in Mendoza province, in San Rafael Department, 38 km West from San Rafael city and 240 km South from Mendoza city, capital of the province. Activities related with yellow cake production were performed from 1979 to 1999. Nowadays the mine and the plant are in stand by. At the moment technical, economic and environmental studies are being done in order to restart the activities. Different kind of residues are accumulated in the site: a) Tailing; b) Sludges; c) Low grade ores; e) Waste rock; f) Mine water; g) Solid residues (RS). In this paper methodology to treat mine water and solid residues (RS) will be informed. a) Mine water: 800.000 m 3 of mine water are accumulated in different open pit. Uranium, radium and arsenic are the main ions to take into account to treat the water. Several laboratory and pilot test have been performed in order to define the treatment of the water, according with the regulatory requirement. A methodology using anion exchange resin to fix uranium and precipitation using barium chloride and iron sulfate to separate radium and arsenic has been developed. b) Solid residues (RS): these residues (precipitates) have been produced by neutralization of effluents in a nuclear purification process (TBP process). They are accumulated in drums. These residues come from Cordoba plant, a factory which produces UO 2 powder. The total content of uranium in the precipitate is 14.249 kg with an average uranium concentration of 1,33%. A methodology using sulfuric acid dissolution of the precipitates and anion exchange resin to recovery the uranium has been developed. (author) [es

  16. Treatment of mine water and solid residues (RS) in San Rafael mining and milling complex

    International Nuclear Information System (INIS)

    Asenjo, Armando R.; Perrino, Juan F.

    2006-01-01

    San Rafael Mining and Milling Complex is located in Mendoza Province, in San Rafael Department, 38 km West from San Rafael city and 240 km south from Mendoza city, capital of the province. Activities related with yellow cake production were performed from 1979 to 1999. Nowadays the mine and the plant are in stand by. At the moment technical, economic and environmental studies are being done in order to restart the activities. Different kind of residues are accumulated in the site: a) Tailing; b) Sludges; c) Low grade ores; e) Waste rock; f) Mine water; g) Solid residues (RS). In this paper methodology to treat mine water and solid residues (RS) will be informed. a) Mine water: 800.000 m 3 of mine water are accumulated in different open pit. Uranium, radium and arsenic are the main ions to take into account to treat the water. Several laboratory and pilot test have been performed in order to define the treatment of the water, according with the regulatory requirement. A methodology using anion exchange resin to fix uranium and precipitation using barium chloride and iron sulfate to separate radium and arsenic has been developed. b) Solid residues (RS): these residues (precipitates) have been produced by neutralization of effluents in a nuclear purification process (TBP process). They are accumulated in drums. These residues come from Cordoba plant, a factory which produces UO 2 powder. The total content of uranium in the precipitate is 14.249 kg with an average uranium concentration of 1,33%. A methodology using sulfuric acid dissolution of the precipitates and anion exchange resin to recovery the uranium has been developed. (author) [es

  17. Complex ion kinetics. Reaction rates on ion-exchange resins compared to those in water

    International Nuclear Information System (INIS)

    Liss, I.B.; Murmann, R.K.

    1975-01-01

    A comparison has been made between the rates in water and on an ion-exchange resin for the aquation of [(NH 3 ) 5 CoOReO 3 ] 2+ and [(H 2 O) 5 CrCl] 2+ and for the 18 O isotopic exchange of water with [(NH 3 ) 5 Co(OH 2 )] 3+ and ReO 4 - . The rate of water exchange on [(NH 3 ) 5 Co(OH 2 )] 3+ was not changed by association with Dowex 50W resins. Aquation of [(NH 3 ) 5 CoOReO 3 ] 2+ and water exchange on ReO 4 - had modified pH dependencies when associated with a resin. With the cobalt complex the rates were faster on the resin in the acidic region and slower on the resin in the basic region. A new term in the rate equation was observed when ReO 4 - was on the resin, first order in H + , while the other terms appear to be unchanged. Aquation of [(H 2 O) 5 CrCl] 2+ was much slower when it was absorbed on the resin. This was related to the known ionic strength effect of the reaction. (auth)

  18. Hydrogeological controls of variable microbial water quality in a complex subtropical karst system in Northern Vietnam

    Science.gov (United States)

    Ender, Anna; Goeppert, Nadine; Goldscheider, Nico

    2018-05-01

    Karst aquifers are particularly vulnerable to bacterial contamination. Especially in developing countries, poor microbial water quality poses a threat to human health. In order to develop effective groundwater protection strategies, a profound understanding of the hydrogeological setting is crucial. The goal of this study was to elucidate the relationships between high spatio-temporal variability in microbial contamination and the hydrogeological conditions. Based on extensive field studies, including mapping, tracer tests and hydrochemical analyses, a conceptual hydrogeological model was developed for a remote and geologically complex karst area in Northern Vietnam called Dong Van. Four different physicochemical water types were identified; the most important ones correspond to the karstified Bac Son and the fractured Na Quan aquifer. Alongside comprehensive investigation of the local hydrogeology, water quality was evaluated by analysis for three types of fecal indicator bacteria (FIB): Escherichia coli, enterococci and thermotolerant coliforms. The major findings are: (1) Springs from the Bac Son formation displayed the highest microbial contamination, while (2) springs that are involved in a polje series with connections to sinking streams were distinctly more contaminated than springs with a catchment area characterized by a more diffuse infiltration. (3) FIB concentrations are dependent on the season, with higher values under wet season conditions. Furthermore, (4) the type of spring capture also affects the water quality. Nevertheless, all studied springs were faecally impacted, along with several shallow wells within the confined karst aquifer. Based on these findings, effective protection strategies can be developed to improve groundwater quality.

  19. High-resolution crystal structure of Streptococcus pyogenes β-NAD{sup +} glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin [Seoul National University, Seoul 151-747 (Korea, Republic of); Kim, Hyoun Sook [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Sang Jae [Seoul National University, Seoul 151-742 (Korea, Republic of); Im, Ha Na; Jang, Jun Young [Seoul National University, Seoul 151-747 (Korea, Republic of); Suh, Se Won, E-mail: sewonsuh@snu.ac.kr [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-747 (Korea, Republic of)

    2013-11-01

    The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD{sup +} glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD{sup +} glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN{sub ct}–IFS complex, which consists of the SPN C-terminal domain (SPN{sub ct}; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN{sub ct} and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope.

  20. High-resolution crystal structure of Streptococcus pyogenes β-NAD+ glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

    International Nuclear Information System (INIS)

    Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin; Kim, Hyoun Sook; Lee, Sang Jae; Im, Ha Na; Jang, Jun Young; Suh, Se Won

    2013-01-01

    The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD + glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD + glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN ct –IFS complex, which consists of the SPN C-terminal domain (SPN ct ; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN ct and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope

  1. Association of a specific major histocompatibility complex class IIβ single nucleotide polymorphism with resistance to lactococcosis in rainbow trout, Oncorhynchus mykiss (Walbaum).

    Science.gov (United States)

    Colussi, S; Prearo, M; Bertuzzi, S A; Scanzio, T; Peletto, S; Favaro, L; Modesto, P; Maniaci, M G; Ru, G; Desiato, R; Acutis, P L

    2015-01-01

    Major histocompatibility complex (MHC) loci encode glycoproteins that bind to foreign peptides and initiate immune responses through their interaction with T cells. MHC class II molecules are heterodimers consisting of α and β chains encoded by extremely variable genes; variation in exon 2 is responsible for the majority of observed polymorphisms, mostly concentrated in the codons specifying the peptide-binding region. Lactococcus garvieae is the causative agent of lactococcosis, a warm-water bacterial infection pathogenic for cultured freshwater and marine fish. It causes considerable economic losses, limiting the profitability and development of fish industries in general and the intensive production of rainbow trout, Oncorhynchus mykiss (Walbaum), in particular. The disease is currently controlled with vaccines and antibiotics; however, vaccines have short-term efficacy, and increasing concerns regarding antibiotic residues have called for alternative strategies. To explore the involvement of the MHC class II β-1 domain as a candidate gene for resistance to lactococcosis, we exposed 400 rainbow trout to naturally contaminated water. One single nucleotide polymorphism (SNP) and one haplotype were associated with resistance (P trout resistant to lactococcosis. © 2014 John Wiley & Sons Ltd.

  2. Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

    KAUST Repository

    Wang, Hong

    2017-01-04

    Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

  3. Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

    KAUST Repository

    Wang, Hong; Min, Shixiong; Ma, Chun; Liu, Zhixiong; Zhang, Weiyi; Wang, Qiang; Li, Debao; Li, Yangyang; Turner, Stuart; Han, Yu; Zhu, Haibo; Abou-Hamad, Edy; Hedhili, Mohamed N.; Pan, Jun; Yu, Weili; Huang, Kuo-Wei; Li, Lain-Jong; Yuan, Jiayin; Antonietti, Markus; Wu, Tao

    2017-01-01

    Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

  4. Degradation of Epoxy-Steel Single Lap Joints Immersed in Water

    DEFF Research Database (Denmark)

    Goglio, L; Rezaei, Mohsen

    2015-01-01

    Exposure to environmental factors, especially moisture, is recognized as the major cause of degradation of adhesive joints. In this work, complementing a previous study on exposure to moisture, single lap joints were subjected to immersion in water, up to five weeks, at room temperature and 50 °C....... The material of the adherends was mild steel, and the adhesive was a bi-component epoxy. The specimens were fabricated using the open-face technique. Mechanical testing at the end of the relevant period of immersion showed an initial loss of ultimate load, after one week at 50 °C or two at room temperature......; then, the strength remained practically constant over the remaining time. The loss was more accentuated after immersion at 50 °C, about 70%, than at room temperature, about 30%. Also a reduction in stiffness of the joints was measured, again dramatic (about 70%) after immersion at 50 °C, moderate...

  5. Areal Measurements of Ozone, Water, and Heat Fluxes Over Land With Different Surface Complexity, Using Aircraft

    International Nuclear Information System (INIS)

    Hicks, Bruce B.

    2001-01-01

    Contemporary models addressing issues of air quality and/or atmospheric deposition continue to exploit air-surface exchange formulations originating from single-tower studies. In reality,these expressions describe situations that are rare in the real world - nearly flat and spatially homogeneous. There have been several theoretical suggestions about how to extend from single-point understanding to areal descriptions, but so far the capability to address the problem experimentally has been limited. In recent years, however, developments in sensing technology have permitted adaptation of eddy-correlation methods to low-flying aircraft in a far more cost-effective manner than previously. A series of field experiments has been conducted, ranging from flat farmland to rolling countryside, employing a recently modified research aircraft operated by the US NationalOceanic and Atmospheric Administration (NOAA). The results demonstrate the complexity of the spatial heterogeneity question,especially for pollutants (ozone in particular). In general, the uncertainty associated with the adoption of any single-point formulation when describing areal averages is likely to be in the range 10% to 40%. In the case of sensible and latent heat fluxes, the overall behavior is controlled by the amount of energy available. For pollutant deposition, there is no constraint equivalent to the net radiation limitation on convective heat exchange. Consequently, dry deposition rates and air-surface exchange of trace gases in general are especially vulnerable to errors in spatial extrapolation. The results indicate that the susceptibility of dry deposition formulations to terrain complexity depends on the deposition velocity itself. For readily transferred pollutants (such as HNO 3 ), a factor of two error could be involved

  6. Theorising complex water governance in Africa: the case of the proposed Epupa Dam on the Kunene River

    CSIR Research Space (South Africa)

    Meissner, Richard

    2014-04-01

    Full Text Available Various multi-dimensional governance models have been suggested by scholars and policy makers alike as suitable conceptual lenses through which to view the complexity of water governance, particularly in international river basins. While...

  7. Single-Molecule Imaging of DNAs with Sticky Ends at Water/Fused Silica Interface

    Energy Technology Data Exchange (ETDEWEB)

    Isailovic, Slavica [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    Total internal reflection fluorescence microscopy (TIRFM) was used to study intermolecular interactions of DNAs with unpaired (sticky) ends of different lengths at water/fused silica interface at the single-molecule level. Evanescent field residence time, linear velocity and adsorption/desorption frequency were measured in a microchannel for individual DNA molecules from T7, Lambda, and PSP3 phages at various pH values. The longest residence times and the highest adsorption/desorption frequencies at the constant flow at pH 5.5 were found for PSP3 DNA, followed by lower values for Lambda DNA, and the lowest values for T7 DNA. Since T7, Lambda, and PSP3 DNA molecules contain none, twelve and nineteen unpaired bases, respectively, it was concluded that the affinity of DNAs for the surface increases with the length of the sticky ends. This confirms that hydrophobic and hydrogen-bonding interactions between sticky ends and fused-silica surface are driving forces for DNA adsorption at the fused-silica surface. Described single-molecule methodology and results therein can be valuable for investigation of interactions in liquid chromatography, as well as for design of DNA hybridization sensors and drug delivery systems.

  8. Interaction between N-fertilizer and water availability on borer-rot complex in sugarcane

    Directory of Open Access Journals (Sweden)

    Luiz Eduardo da Rocha Pannuti

    2015-03-01

    Full Text Available This study aimed to evaluate the effects of nitrogen availability in fertigation and rainfed management, as well as their interactions with the incidence of and damage caused by D. saccharalis and red rot in sugarcane. The experiment consisted of four treatments (0 and 150 kg ha–1 of N-fertilizer with irrigation; 0 and 150 kg ha–1 of N-fertilizer in rainfed management in a randomized complete block design with four replications. The evaluated parameters were the number of holes and internodes with red rot per meter of cultivation, stalk yield and sugar content. In the laboratory (T = 25 ± 2 °C; R.H. = 70 ± 10%: 12:12-L:D, we evaluated the attractiveness and consumption of fragments of stalks from the different treatments for fourth instar larvae through choice and no-choice tests in a randomized complete block design with ten replications. Nitrogen fertilization via irrigation has favorable effects on borer-rot complex and leads to higher gains in stalk and sugar yields when compared to rainfed management. The increments of stalk and sugar yields due to nitrogen fertilization compensates for the increase in borer-rot complex infestation. In laboratory tests, D. saccharalis larvae were similarly attracted to all treatments regardless of the doses of N-fertilizer or the water regimes evaluated. However, fragments of sugarcane stalks produced with nitrogen fertilization were consumed more by D. saccharalis in both water regimes.

  9. Single-shot ultrabroadband two-dimensional electronic spectroscopy of the light-harvesting complex LH2.

    Science.gov (United States)

    Harel, Elad; Long, Phillip D; Engel, Gregory S

    2011-05-01

    Here we present two-dimensional (2D) electronic spectra of the light-harvesting complex LH2 from purple bacteria using coherent pulses with bandwidth of over 100 nm FWHM. This broadband excitation and detection has allowed the simultaneous capture of both the B800 and B850 bands using a single light source. We demonstrate that one laser pulse is sufficient to capture the entire 2D electronic spectrum with a high signal-to-noise ratio. At a waiting time of 800 fs, we observe population transfer from the B800 to B850 band as manifested by a prominent cross peak. These results will enable observation of the dynamics of biological systems across both ultrafast (1 ms) timescales simultaneously.

  10. Stratospheric isotopic water profiles from a single submillimeter limb scan by TELIS

    Directory of Open Access Journals (Sweden)

    A. de Lange

    2009-08-01

    Full Text Available Around 490 GHz relatively strong HDO and H218O emission lines can be found in the submillimeter thermal-emission spectrum of the Earth's atmosphere, along with lines of the principal isotopologue of water vapour. These can be used for remote sensing of the rare/principal isotope ratio in the stratosphere. A sensitivity study has been performed for retrieval simulations of water isotopologues from balloon-borne measurements by the limb sounder TELIS (TErahertz and submillimeter LImb Sounder. The study demonstrates the capability of TELIS to determine, from a single limb scan, the profiles for H218O and HDO between 20 km and 37 km with a retrieval error of ≈3 and a spatial resolution of 1.5 km, as determined by the width of the averaging kernel. In addition HDO can be retrieved in the range of 10–20 km, albeit with a strongly deteriorated retrieval error. Expected uncertainties in instrumental parameters have only limited impact on the retrieval results.

  11. Comparative study on metal biosorption by two macroalgae in saline waters: single and ternary systems.

    Science.gov (United States)

    Figueira, Paula; Henriques, Bruno; Teixeira, Ana; Lopes, Cláudia B; Reis, Ana T; Monteiro, Rui J R; Duarte, A C; Pardal, M A; Pereira, E

    2016-06-01

    The biosorption capability of two marine macroalgae (green Ulva lactuca and brown Fucus vesiculosus) was evaluated in the removal of toxic metals (Hg, Cd and Pb) from saline waters, under realistic conditions. Results showed that, independently of the contamination scenario tested, both macroalgae have a remarkable capacity to biosorb Hg and Pb. In single-contaminant systems, by using only c.a. 500 mg of non-pre-treated algae biomass (size macroalgae exhibited a similar selectivity toward the target metals: Hg > Pb> > Cd, although Pb removal by U. lactuca was more inhibited than that achieved by F. vesiculosus. Under the experimental conditions used, none of the macroalgae was effective to remove Cd (maximum removal of 20 %). In all cases, the kinetics of biosorption was mathematically described with success. Globally, it became clear that the studied macroalgae may be part of simple, efficient, and cost-effective water treatment technologies. Nevertheless, Fucus vesiculosus has greater potential, since it always presented higher initial sorption rates and higher removal efficiencies.

  12. Indirect Solar Water Heating in Single-Family, Zero Energy Ready Homes

    Energy Technology Data Exchange (ETDEWEB)

    Aldrich, Robb [Consortium for Advanced Residential Buildings, Norwalk, CT (United States)

    2016-02-17

    Solar water heating systems are not new, but they have not become prevalent in most of the U.S. Most of the country is cold enough that indirect solar thermal systems are required for freeze protection, and average installed cost of these systems is $9,000 to $10,000 for typical systems on single-family homes. These costs can vary significantly in different markets and with different contractors, and federal and regional incentives can reduce these up-front costs by 50% or more. In western Massachusetts, an affordable housing developer built a community of 20 homes with a goal of approaching zero net energy consumption. In addition to excellent thermal envelopes and PV systems, the developer installed a solar domestic water heating system (SDHW) on each home. The Consortium for Advanced Residential Buildings (CARB), a research consortium funded by the U.S. Department of Energy Building America program, commissioned some of the systems, and CARB was able to monitor detailed performance of one system for 28 months.

  13. The use and management of water in the Likangala Irrigation Scheme Complex in Southern Malawi

    Science.gov (United States)

    Mulwafu, Wapulumuka O.; Nkhoma, Bryson G.

    This paper examines the uses and management of water for agriculture in Lake Chilwa catchment area in Zomba district of Southern Malawi. It focuses on the Likangala Rice Irrigation Scheme Complex situated along the Likangala River. The scheme is one of the largest government-run schemes. Established in the late 1960s by the government to meet the growing demand for rice, the scheme contributes greatly to the agricultural industry of the country. Besides, the scheme was established to ensure maximum utilization of Malawi's largest wetland, which, due to its hydromorphic soils and the littoral floodplains, does not favour the production of traditional upland seasonal crops such as maize. The scheme's overdependence on water from the Likangala River has attracted a considerable degree of academic interest in the use and management of the river to ensure that there is equity and efficiency for both productive and domestic users. The paper focuses on four main issues: the historical development of the scheme, the distribution of water to farmers, social relations, and the overall contribution of the scheme towards the social and economic development of the area and the country in general. The paper contends that the growing population of the basin and the increase in the number of formal and informal smallholder farmers, contributes greatly to the growth of competition and conflicts over water, which tends to undermine the economic potential of the scheme. Furthermore, the paper provides clearest indication of the need for a realistic and informed water management policy and strategy to solve the growing problem of social inequity without necessarily compromising the production of rice in the scheme.

  14. Simulation of non-isothermal gas-water processes in complex fracture-matrix systems

    International Nuclear Information System (INIS)

    Jakobs, H.

    2004-01-01

    Degassing effects may occur in fractures in the vicinity of deep radioactive-waste-disposal sites as a result of a pressure drop. These effects play an important role in the investigation of the hydraulic conditions in the near field of the disposal sites. The assumption of single-phase conditions may lead to the misinterpretation of experimental data as degassing leads to two-phase conditions and to a reduction of the effective permeability. The aim of this work is to contribute to the simulation of non-isothermal behaviour of water-gas systems in the near field of atomic waste disposal sites in fractured porous media. We distinguish between sub-REV effects within single fractures and effects due to super-REV heterogeneities which result from the fracture matrix system. We assume to have undisturbed physical conditions as report from the AespoeHard Rock Laboratory in Sweden, i.e.: - a fully water saturated system - a hydrostatic pressure of 5 million Pa. For the simulation on the laboratory scale we use a percolation model. To transfer the information from the laboratory scale to the field scale we use a renormalisation scheme. On the field scale we use a numerical simulator which solves the multiphase flow equations based on the extended form of Darcy's law. In order to investigate the limits of our models we analyse the importance of the forces taken into account, i.e., capillary forces, gravity forces, and viscous forces. This method allows us to quantify the constraints of our models. Furthermore, we investigate the influence of strong parameter heterogeneities caused by the fracture-matrix system on the flow behaviour of gas and water. We consider in particular the influence of the large difference between the entry pressures of matrix and fracture on the migration of the gas phase from the fracture system into the matrix system. (orig.)

  15. Deciphering complex dynamics of water counteraction around secondary structural elements of allosteric protein complex: Case study of SAP-SLAM system in signal transduction cascade.

    Science.gov (United States)

    Samanta, Sudipta; Mukherjee, Sanchita

    2018-01-28

    The first hydration shell of a protein exhibits heterogeneous behavior owing to several attributes, majorly local polarity and structural flexibility as revealed by solvation dynamics of secondary structural elements. We attempt to recognize the change in complex water counteraction generated due to substantial alteration in flexibility during protein complex formation. The investigation is carried out with the signaling lymphocytic activation molecule (SLAM) family of receptors, expressed by an array of immune cells, and interacting with SLAM-associated protein (SAP), composed of one SH2 domain. All atom molecular dynamics simulations are employed to the aqueous solutions of free SAP and SLAM-peptide bound SAP. We observed that water dynamics around different secondary structural elements became highly affected as well as nicely correlated with the SLAM-peptide induced change in structural rigidity obtained by thermodynamic quantification. A few instances of contradictory dynamic features of water to the change in structural flexibility are explained by means of occluded polar residues by the peptide. For βD, EFloop, and BGloop, both structural flexibility and solvent accessibility of the residues confirm the obvious contribution. Most importantly, we have quantified enhanced restriction in water dynamics around the second Fyn-binding site of the SAP due to SAP-SLAM complexation, even prior to the presence of Fyn. This observation leads to a novel argument that SLAM induced more restricted water molecules could offer more water entropic contribution during the subsequent Fyn binding and provide enhanced stability to the SAP-Fyn complex in the signaling cascade. Finally, SLAM induced water counteraction around the second binding site of the SAP sheds light on the allosteric property of the SAP, which becomes an integral part of the underlying signal transduction mechanism.

  16. Deciphering complex dynamics of water counteraction around secondary structural elements of allosteric protein complex: Case study of SAP-SLAM system in signal transduction cascade

    Science.gov (United States)

    Samanta, Sudipta; Mukherjee, Sanchita

    2018-01-01

    The first hydration shell of a protein exhibits heterogeneous behavior owing to several attributes, majorly local polarity and structural flexibility as revealed by solvation dynamics of secondary structural elements. We attempt to recognize the change in complex water counteraction generated due to substantial alteration in flexibility during protein complex formation. The investigation is carried out with the signaling lymphocytic activation molecule (SLAM) family of receptors, expressed by an array of immune cells, and interacting with SLAM-associated protein (SAP), composed of one SH2 domain. All atom molecular dynamics simulations are employed to the aqueous solutions of free SAP and SLAM-peptide bound SAP. We observed that water dynamics around different secondary structural elements became highly affected as well as nicely correlated with the SLAM-peptide induced change in structural rigidity obtained by thermodynamic quantification. A few instances of contradictory dynamic features of water to the change in structural flexibility are explained by means of occluded polar residues by the peptide. For βD, EFloop, and BGloop, both structural flexibility and solvent accessibility of the residues confirm the obvious contribution. Most importantly, we have quantified enhanced restriction in water dynamics around the second Fyn-binding site of the SAP due to SAP-SLAM complexation, even prior to the presence of Fyn. This observation leads to a novel argument that SLAM induced more restricted water molecules could offer more water entropic contribution during the subsequent Fyn binding and provide enhanced stability to the SAP-Fyn complex in the signaling cascade. Finally, SLAM induced water counteraction around the second binding site of the SAP sheds light on the allosteric property of the SAP, which becomes an integral part of the underlying signal transduction mechanism.

  17. Analysis of gold(I/III)-complexes by HPLC-ICP-MS demonstrates gold(III) stability in surface waters.

    Science.gov (United States)

    Ta, Christine; Reith, Frank; Brugger, Joël; Pring, Allan; Lenehan, Claire E

    2014-05-20

    Understanding the form in which gold is transported in surface- and groundwaters underpins our understanding of gold dispersion and (bio)geochemical cycling. Yet, to date, there are no direct techniques capable of identifying the oxidation state and complexation of gold in natural waters. We present a reversed phase ion-pairing HPLC-ICP-MS method for the separation and determination of aqueous gold(III)-chloro-hydroxyl, gold(III)-bromo-hydroxyl, gold(I)-thiosulfate, and gold(I)-cyanide complexes. Detection limits for the gold species range from 0.05 to 0.30 μg L(-1). The [Au(CN)2](-) gold cyanide complex was detected in five of six waters from tailings and adjacent monitoring bores of working gold mines. Contrary to thermodynamic predictions, evidence was obtained for the existence of Au(III)-complexes in circumneutral, hypersaline waters of a natural lake overlying a gold deposit in Western Australia. This first direct evidence for the existence and stability of Au(III)-complexes in natural surface waters suggests that Au(III)-complexes may be important for the transport and biogeochemical cycling of gold in surface environments. Overall, these results show that near-μg L(-1) enrichments of Au in environmental waters result from metastable ligands (e.g., CN(-)) as well as kinetically controlled redox processes leading to the stability of highly soluble Au(III)-complexes.

  18. Path Complexity in Virtual Water Maze Navigation: Differential Associations with Age, Sex, and Regional Brain Volume.

    Science.gov (United States)

    Daugherty, Ana M; Yuan, Peng; Dahle, Cheryl L; Bender, Andrew R; Yang, Yiqin; Raz, Naftali

    2015-09-01

    Studies of human navigation in virtual maze environments have consistently linked advanced age with greater distance traveled between the start and the goal and longer duration of the search. Observations of search path geometry suggest that routes taken by older adults may be unnecessarily complex and that excessive path complexity may be an indicator of cognitive difficulties experienced by older navigators. In a sample of healthy adults, we quantify search path complexity in a virtual Morris water maze with a novel method based on fractal dimensionality. In a two-level hierarchical linear model, we estimated improvement in navigation performance across trials by a decline in route length, shortening of search time, and reduction in fractal dimensionality of the path. While replicating commonly reported age and sex differences in time and distance indices, a reduction in fractal dimension of the path accounted for improvement across trials, independent of age or sex. The volumes of brain regions associated with the establishment of cognitive maps (parahippocampal gyrus and hippocampus) were related to path dimensionality, but not to the total distance and time. Thus, fractal dimensionality of a navigational path may present a useful complementary method of quantifying performance in navigation. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  19. Control of unidirectional transport of single-file water molecules through carbon nanotubes in an electric field.

    Science.gov (United States)

    Su, Jiaye; Guo, Hongxia

    2011-01-25

    The transport of water molecules through nanopores is not only crucial to biological activities but also useful for designing novel nanofluidic devices. Despite considerable effort and progress that has been made, a controllable and unidirectional water flow is still difficult to achieve and the underlying mechanism is far from being understood. In this paper, using molecular dynamics simulations, we systematically investigate the effects of an external electric field on the transport of single-file water molecules through a carbon nanotube (CNT). We find that the orientation of water molecules inside the CNT can be well-tuned by the electric field and is strongly coupled to the water flux. This orientation-induced water flux is energetically due to the asymmetrical water-water interaction along the CNT axis. The wavelike water density profiles are disturbed under strong field strengths. The frequency of flipping for the water dipoles will decrease as the field strength is increased, and the flipping events vanish completely for the relatively large field strengths. Most importantly, a critical field strength E(c) related to the water flux is found. The water flux is increased as E is increased for E ≤ E(c), while it is almost unchanged for E > E(c). Thus, the electric field offers a level of governing for unidirectional water flow, which may have some biological applications and provides a route for designing efficient nanopumps.

  20. Hiding the Complexity: Building a Distributed ATLAS Tier-2 with a Single Resource Interface using ARC Middleware

    International Nuclear Information System (INIS)

    Purdie, S; Stewart, G; Skipsey, S; Washbrook, A; Bhimji, W; Filipcic, A; Kenyon, M

    2011-01-01

    Since their inception, Grids for high energy physics have found management of data to be the most challenging aspect of operations. This problem has generally been tackled by the experiment's data management framework controlling in fine detail the distribution of data around the grid and the careful brokering of jobs to sites with co-located data. This approach, however, presents experiments with a difficult and complex system to manage as well as introducing a rigidity into the framework which is very far from the original conception of the grid. In this paper we describe how the ScotGrid distributed Tier-2, which has sites in Glasgow, Edinburgh and Durham, was presented to ATLAS as a single, unified resource using the ARC middleware stack. In this model the ScotGrid 'data store' is hosted at Glasgow and presented as a single ATLAS storage resource. As jobs are taken from the ATLAS PanDA framework, they are dispatched to the computing cluster with the fastest response time. An ARC compute element at each site then asynchronously stages the data from the data store into a local cache hosted at each site. The job is then launched in the batch system and accesses data locally. We discuss the merits of this system compared to other operational models and consider, from the point of view of the resource providers (sites), and from the resource consumers (experiments); and consider issues involved in transitions to this model.

  1. Illuminant direction estimation for a single image based on local region complexity analysis and average gray value.

    Science.gov (United States)

    Yi, Jizheng; Mao, Xia; Chen, Lijiang; Xue, Yuli; Compare, Angelo

    2014-01-10

    Illuminant direction estimation is an important research issue in the field of image processing. Due to low cost for getting texture information from a single image, it is worthwhile to estimate illuminant direction by employing scenario texture information. This paper proposes a novel computation method to estimate illuminant direction on both color outdoor images and the extended Yale face database B. In our paper, the luminance component is separated from the resized YCbCr image and its edges are detected with the Canny edge detector. Then, we divide the binary edge image into 16 local regions and calculate the edge level percentage in each of them. Afterward, we use the edge level percentage to analyze the complexity of each local region included in the luminance component. Finally, according to the error function between the measured intensity and the calculated intensity, and the constraint function for an infinite light source model, we calculate the illuminant directions of the luminance component's three local regions, which meet the requirements of lower complexity and larger average gray value, and synthesize them as the final illuminant direction. Unlike previous works, the proposed method requires neither all of the information of the image nor the texture that is included in the training set. Experimental results show that the proposed method works better at the correct rate and execution time than the existing ones.

  2. Determination of phytoplankton abundances (Chlorophyll-a) in the optically complex inland water - The Baltic Sea.

    Science.gov (United States)

    Zhang, Daoxi; Lavender, Samantha; Muller, Jan-Peter; Walton, David; Karlson, Bengt; Kronsell, Johan

    2017-12-01

    A novel approach, termed Summed Positive Peaks (SPP), is proposed for determining phytoplankton abundances (Chlorophyll-a or Chl-a) and surface phytoplankton bloom extent in the optically complex Baltic Sea. The SPP approach is established on the basis of a baseline subtraction method using Rayleigh corrected top-of-atmosphere data from the Medium Resolution Imaging Spectrometer (MERIS) measurements. It calculates the reflectance differences between phytoplankton related signals observed in the MERIS red and near infrared (NIR) bands, such as sun-induced chlorophyll fluorescence (SICF) and the backscattering at 709nm, and considers the summation of the positive line heights for estimating Chl-a concentrations. The SPP algorithm is calibrated against near coincident in situ data collected from three types of phytoplankton dominant waters encountered in the Baltic Sea during 2010 (N=379). The validation results show that the algorithm is capable of retrieving Chl-a concentrations ranging from 0.5 to 3mgm -3 , with an RMSE of 0.24mgm -3 (R 2 =0.69, N=264). Additionally, the comparison results with several Chl-a algorithms demonstrates the robustness of the SPP approach and its sensitivity to low to medium biomass waters. Based on the red and NIR reflectance features, a flagging method is also proposed to distinguish intensive surface phytoplankton blooms from the background water. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Understanding complexities in coupled dynamics of human-water and food security

    Science.gov (United States)

    Usmani, M.; Kondal, A.; Lin, L.; Colwell, R. R.; Jutla, A.

    2017-12-01

    Traditional premise of food security is associated with satisfying human hunger by providing sufficient calories to population. Water is the key variable associated with the growth of crops, which is then used as a metric of success for abundance of food across globe. The current framework often negates complex coupled interaction between availability of food nutrients and human well-being (such as productivity, work efficiency, low birth weight, physical and mental growth). Our analysis suggests that 1 in 3 humans suffer from malnutrition across the globe. In last five decades, most of the countries have a decreasing availability trend in at least one of the twenty-three essential food nutrients required for human well-being. We argue that food security can only be achieved if information on use of water for crops and consumption of food must include availability of nutrients for humans. Here, we propose a new concept of "consumptive nutrients" that include constant feedback mechanism between water-human and societal processes- essential for growth, distribution and consumption of food nutrients. Using Ethiopia as a signature rain-fed agricultural region, we will show how decreasing precipitation has led to an increase in crop productivity, but decreased availability of nutrients for humans. This in turn has destabilizing impact on overall regional economy. We will demonstrate why inclusion of nutrients must be a part of discussion for ensuring food security to human population.

  4. Sources of variability for the single-comparator method in a heavy-water reactor

    International Nuclear Information System (INIS)

    Damsgaard, E.; Heydorn, K.

    1978-11-01

    The well thermalized flux in the heavy-water-moderated DR 3 reactor at Risoe prompted us to investigate to what extent a single comparator could be used for multi-element determination instead of multiple comparators. The reliability of the single-comparator method is limited by the thermal-to-epithermal ratio, and experiments were designed to determine the variations in this ratio throughout a reactor operating period (4 weeks including a shut-down period of 4-5 days). The bi-isotopic method using zirconium as monitor was chosen, because 94 Zr and 96 Zr exhibit a large difference in their Isub(o)/Σsub(th) values, and would permit determination of the flux ratio with a precision sufficient to determine variations. One of the irradiation facilities comprises a rotating magazine with 3 channels, each of which can hold five aluminium cans. In this rig, five cans, each holding a polyvial with 1 ml of aqueous zirconium solution were irradiated simultaneously in one channel. Irradiations were carried out in the first and the third week of 4 periods. In another facility consisting of a pneumatic tube system, two samples were simultaneously irradiated on top of each other in a polyethylene rabbit. Experiments were carried out once a week for 4 periods. All samples were counted on a Ge(Li)-detector for 95 Zr, 97 sup(m)Nb and 97 Nb. The thermal-to-epithermal flux ratio was calculated from the induced activity, the nuclear data for the two zirconium isotopes and the detector efficiency. By analysis of variance the total variation of the flux ratio was separated into a random variation between reactor periods, and systematic differences between the positions, as well as the weeks in the operating period. If the variations are in statistical control, the error resulting from use of the single-comparator method in multi-element determination can be estimated for any combination of irradiation position and day in the operating period. With the measure flux ratio variations in DR

  5. Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

    Science.gov (United States)

    Han, Zhong-Kang; Gao, Yi

    2016-02-01

    Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Combination of binaural and harmonic masking release effects in the detection of a single component in complex tones.

    Science.gov (United States)

    Klein-Hennig, Martin; Dietz, Mathias; Hohmann, Volker

    2018-03-01

    Both harmonic and binaural signal properties are relevant for auditory processing. To investigate how these cues combine in the auditory system, detection thresholds for an 800-Hz tone masked by a diotic (i.e., identical between the ears) harmonic complex tone were measured in six normal-hearing subjects. The target tone was presented either diotically or with an interaural phase difference (IPD) of 180° and in either harmonic or "mistuned" relationship to the diotic masker. Three different maskers were used, a resolved and an unresolved complex tone (fundamental frequency: 160 and 40 Hz) with four components below and above the target frequency and a broadband unresolved complex tone with 12 additional components. The target IPD provided release from masking in most masker conditions, whereas mistuning led to a significant release from masking only in the diotic conditions with the resolved and the narrowband unresolved maskers. A significant effect of mistuning was neither found in the diotic condition with the wideband unresolved masker nor in any of the dichotic conditions. An auditory model with a single analysis frequency band and different binaural processing schemes was employed to predict the data of the unresolved masker conditions. Sensitivity to modulation cues was achieved by including an auditory-motivated modulation filter in the processing pathway. The predictions of the diotic data were in line with the experimental results and literature data in the narrowband condition, but not in the broadband condition, suggesting that across-frequency processing is involved in processing modulation information. The experimental and model results in the dichotic conditions show that the binaural processor cannot exploit modulation information in binaurally unmasked conditions. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Advantages of conducting in-situ U-Pb age dating of multiple U-bearing minerals from a single complex: Case in point - the Oka Carbonatite Complex

    Science.gov (United States)

    Chen, W.; Simonetti, A.

    2012-12-01

    sample. The niocalite for a carbonatite sample Oka153 defines a bimodal age distribution, with weighted average 206Pb/238U ages of 110.1 ±5.0 and 133.2 ±6.1 Ma. Apatite from the same sample also records a similar bimodal age distribution of 111.4 ±2.8 and 126.9 ±1.8 Ma. The combined in situ U-Pb dating results for apatite, pervoskite, niocalite from Oka clearly support a protracted history of magmatic activity (~30 Myr) for this carbonatite complex. Of importance, the U-Pb results from this study clearly indicate the significance of conducting a thorough geochronological investigation rather than defining the age of any one alkaline complex solely on the basis of a single radiometric age determination.

  8. Highly selective single-use fluoride ion optical sensor based on aluminum(III)-salen complex in thin polymeric film

    International Nuclear Information System (INIS)

    Badr, Ibrahim H.A.; Meyerhoff, Mark E.

    2005-01-01

    A highly selective optical sensor for fluoride ion based on the use of an aluminum(III)-salen complex as an ionophore within a thin polymeric film is described. The sensor is prepared by embedding the aluminum(III)-salen ionophore and a suitable lipophilic pH-sensitive indicator (ETH-7075) in a plasticized poly(vinyl chloride) (PVC) film. Optical response to fluoride occurs due to fluoride extraction into the polymer via formation of a strong complex with the aluminum(III)-salen species. Co-extraction of protons occurs simultaneously, with protonation of the indicator dye yielding the optical response at 529 nm. Films prepared using dioctylsebacate (DOS) are shown to exhibit better response (e.g., linear range, detection limit, and optical signal stability) compared to those prepared using ortho-nitrophenyloctyl ether (o-NPOE). Films formulated with aluminum(III)-salen and ETH-7075 indicator in 2 DOS:1 PVC, exhibit a significantly enhanced selectivity for fluoride over a wide range of lipophilic anions including salicylate, perchlorate, nitrate, and thiocyanate. The optimized films exhibit a sub-micromolar detection limit, using glycine-phosphate buffer, pH 3.00, as the test sample. The response times of the fluoride optical sensing films are in the range of 1-10 min depending on the fluoride ion concentration in the sample. The sensor exhibits very poor reversibility owing to a high co-extraction constant (log K = 8.5 ± 0.4), indicating that it can best be employed as a single-use transduction device. The utility of the aluminum(III)-salen based fluoride sensitive films as single-use sensors is demonstrated by casting polymeric films on the bottom of standard polypropylene microtiter plate wells (96 wells/plate). The modified microtiter plate optode format sensors exhibit response characteristics comparable to the classical optode films cast on quartz slides. The modified microtiter is utilized for the analysis of fluoride in diluted anti-cavity fluoride rinse

  9. Computational issues in complex water-energy optimization problems: Time scales, parameterizations, objectives and algorithms

    Science.gov (United States)

    Efstratiadis, Andreas; Tsoukalas, Ioannis; Kossieris, Panayiotis; Karavokiros, George; Christofides, Antonis; Siskos, Alexandros; Mamassis, Nikos; Koutsoyiannis, Demetris

    2015-04-01

    Modelling of large-scale hybrid renewable energy systems (HRES) is a challenging task, for which several open computational issues exist. HRES comprise typical components of hydrosystems (reservoirs, boreholes, conveyance networks, hydropower stations, pumps, water demand nodes, etc.), which are dynamically linked with renewables (e.g., wind turbines, solar parks) and energy demand nodes. In such systems, apart from the well-known shortcomings of water resources modelling (nonlinear dynamics, unknown future inflows, large number of variables and constraints, conflicting criteria, etc.), additional complexities and uncertainties arise due to the introduction of energy components and associated fluxes. A major difficulty is the need for coupling two different temporal scales, given that in hydrosystem modeling, monthly simulation steps are typically adopted, yet for a faithful representation of the energy balance (i.e. energy production vs. demand) a much finer resolution (e.g. hourly) is required. Another drawback is the increase of control variables, constraints and objectives, due to the simultaneous modelling of the two parallel fluxes (i.e. water and energy) and their interactions. Finally, since the driving hydrometeorological processes of the integrated system are inherently uncertain, it is often essential to use synthetically generated input time series of large length, in order to assess the system performance in terms of reliability and risk, with satisfactory accuracy. To address these issues, we propose an effective and efficient modeling framework, key objectives of which are: (a) the substantial reduction of control variables, through parsimonious yet consistent parameterizations; (b) the substantial decrease of computational burden of simulation, by linearizing the combined water and energy allocation problem of each individual time step, and solve each local sub-problem through very fast linear network programming algorithms, and (c) the substantial

  10. Influence of organic component on geometry and stability of the Dy(3) complexes with benzoic and aminobenzoic acids in water-80 vol.% DMSO(DMFA) mixtures

    International Nuclear Information System (INIS)

    Kondrashina, Yu.G.; Mustafina, A.R.; Devyatov, F.V.; Vul'fson, S.G.; Kazanskij Gosudarstvennyj Univ., Kazan

    1995-01-01

    Data of pH-metric and magnetooptical analyses were used to evaluate stability and structure of benzoate and aminobenzoate dysprosium (3) complexes in water and water - 80 vol.% DMSO (DMFA) mixtures. Factors, dictating change of complex structure and stability when passing from water to organic water solvents, are discussed. 19 refs.; 2 figs.; 1 tab

  11. Stability of the barium–benzo-15-crown-5 complex in nitrobenzene saturated with water

    Directory of Open Access Journals (Sweden)

    E. MAKRLÍK

    2006-11-01

    Full Text Available From extraction experiments and g-activity measurements, the exchange extraction constant corresponding to the equilibrium Ba2+(aq + SrL22+(nb D BaL22+(nb + Sr2+(aq occurring in the two-phase water–nitrobenzene system (L =benzo-15-crown-5; aq = aqueous phase, nb = nitrobenzene phase was evaluated as log Kex (Ba2+, SrL22+ = 0.3 ± 0.1. Furthermore, the stability constant of the benzo-15-crown-5–barium complex in nitrobenzene saturated with water was calculated for the temperature of 25 °C: log bnb (BaL22+=13.3±0.1.

  12. Controlled synthesis of titania using water-soluble titanium complexes: A review

    Science.gov (United States)

    Truong, Quang Duc; Dien, Luong Xuan; Vo, Dai-Viet N.; Le, Thanh Son

    2017-07-01

    The development of human society has led to the increase in energy and resources consumption as well as the arising problems of environmental damage and the toxicity to the human health. The development of novel synthesis method which tolerates utilization of toxic solvents and chemicals would fulfill the demand of the society for safer, softer, and environmental friendly technologies. For the past decades, a remarkable progress has been attained in the development of new water-soluble titanium complexes (WSTC) and their use for the synthesis of nanocrystalline titanium dioxide materials by aqueous solution-based approaches. The progress of synthesis of nanocrystalline titanium dioxide using such WSTCs is reviewed in this work. The key structural features responsible for the successfully controlled synthesis of TiO2 are discussed to provide guidelines for the morphology-controlled synthesis. Finally, this review ends with a summary and some perspectives on the challenges as well as new directions in this fascinating research.

  13. Catalytic Water Oxidation by a Bio-inspired Nickel Complex with a Redox-Active Ligand.

    Science.gov (United States)

    Wang, Dong; Bruner, Charlie O

    2017-11-20

    The oxidation of water (H 2 O) to dioxygen (O 2 ) is important in natural photosynthesis. One of nature's strategies for managing such multi-electron transfer reactions is to employ redox-active metal-organic cofactor arrays. One prototype example is the copper tyrosinate active site found in galactose oxidase. In this work, we have implemented such a strategy to develop a bio-inspired nickel phenolate complex capable of catalyzing the oxidation of H 2 O to O 2 electrochemically at neutral pH with a modest overpotential. Employment of the redox-active ligand turned out to be a useful strategy to avoid the formation of high-valent nickel intermediates while a reasonable turnover rate (0.15 s -1 ) is retained.

  14. Complex dielectric permittivity and dielectric relaxation of heavy water along its curve of existence

    Energy Technology Data Exchange (ETDEWEB)

    Nabokov, O.A.; Lyubimov, Yu.A.

    1985-10-01

    The authors previously studied the complex dielectric permittivity of ordinary water at 70-200/sup 0/C. Similar measurements were performed in this work for D/sub 2/O by incomplete filling of a microwave resonator at a frequency of about 9.3 GHz. Distilled 99.8% D/sub 2/O was used. For D/sub 2/O, the value of tau/sub D/T/eta (where eta is the viscosity) increases with increasing temperature, so that at 140/sup 0/C its change goes beyond the limits of error of the measurement of tau/sub D/ and eta. The gradual increase in tau/sub D/T/eta and tau/sub D/D with temperature indicates weakening of the interaction between orientation and translation movements of the liquid D/sub 2/O molecules with increasing temperature. 11 references, 1 figure.

  15. Global terrestrial water storage connectivity revealed using complex climate network analyses

    Science.gov (United States)

    Sun, A. Y.; Chen, J.; Donges, J.

    2015-07-01

    Terrestrial water storage (TWS) exerts a key control in global water, energy, and biogeochemical cycles. Although certain causal relationship exists between precipitation and TWS, the latter quantity also reflects impacts of anthropogenic activities. Thus, quantification of the spatial patterns of TWS will not only help to understand feedbacks between climate dynamics and the hydrologic cycle, but also provide new insights and model calibration constraints for improving the current land surface models. This work is the first attempt to quantify the spatial connectivity of TWS using the complex network theory, which has received broad attention in the climate modeling community in recent years. Complex networks of TWS anomalies are built using two global TWS data sets, a remote sensing product that is obtained from the Gravity Recovery and Climate Experiment (GRACE) satellite mission, and a model-generated data set from the global land data assimilation system's NOAH model (GLDAS-NOAH). Both data sets have 1° × 1° grid resolutions and cover most global land areas except for permafrost regions. TWS networks are built by first quantifying pairwise correlation among all valid TWS anomaly time series, and then applying a cutoff threshold derived from the edge-density function to retain only the most important features in the network. Basinwise network connectivity maps are used to illuminate connectivity of individual river basins with other regions. The constructed network degree centrality maps show the TWS anomaly hotspots around the globe and the patterns are consistent with recent GRACE studies. Parallel analyses of networks constructed using the two data sets reveal that the GLDAS-NOAH model captures many of the spatial patterns shown by GRACE, although significant discrepancies exist in some regions. Thus, our results provide further measures for constraining the current land surface models, especially in data sparse regions.

  16. Cytological maps of lampbrush chromosomes of European water frogs (Pelophylax esculentus complex) from the Eastern Ukraine

    Science.gov (United States)

    2013-01-01

    Background Hybridogenesis (hemiclonal inheritance) is a kind of clonal reproduction in which hybrids between parental species are reproduced by crossing with one of the parental species. European water frogs (Pelophylax esculentus complex) represent an appropriate model for studying interspecies hybridization, processes of hemiclonal inheritance and polyploidization. P. esculentus complex consists of two parental species, P. ridibundus (the lake frog) and P. lessonae (the pool frog), and their hybridogenetic hybrid – P. esculentus (the edible frog). Parental and hybrid frogs can reproduce syntopically and form hemiclonal population systems. For studying mechanisms underlying the maintenance of water frog population systems it is required to characterize the karyotypes transmitted in gametes of parental and different hybrid animals of both sexes. Results In order to obtain an instrument for characterization of oocyte karyotypes in hybrid female frogs, we constructed cytological maps of lampbrush chromosomes from oocytes of both parental species originating in Eastern Ukraine. We further identified certain molecular components of chromosomal marker structures and mapped coilin-rich spheres and granules, chromosome associated nucleoli and special loops accumulating splicing factors. We recorded the dissimilarities between P. ridibundus and P. lessonae lampbrush chromosomes in the length of orthologous chromosomes, number and location of marker structures and interstitial (TTAGGG)n-repeat sites as well as activity of nucleolus organizer. Satellite repeat RrS1 was mapped in centromere regions of lampbrush chromosomes of the both species. Additionally, we discovered transcripts of RrS1 repeat in oocytes of P. ridibundus and P. lessonae. Moreover, G-rich transcripts of telomere repeat were revealed in association with terminal regions of P. ridibundus and P. lessonae lampbrush chromosomes. Conclusions The constructed cytological maps of lampbrush chromosomes of P

  17. Water Accounting Plus (WA+) – a water accounting procedure for complex river basins based on satellite measurements

    NARCIS (Netherlands)

    Karimi, P.; Bastiaanssen, W.G.M.; Molden, D.

    2013-01-01

    Coping with water scarcity and growing competition for water among different sectors requires proper water management strategies and decision processes. A pre-requisite is a clear understanding of the basin hydrological processes, manageable and unmanageable water flows, the interaction with land

  18. Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis

    Science.gov (United States)

    Sharma, Raj Pal; Saini, Anju; Kumar, Santosh; Kumar, Jitendra; Sathishkumar, Ranganathan; Venugopalan, Paloth

    2017-01-01

    A new anionic copper(II) complex, (MeImH)2 [Cu(pfbz)4] (1) where, MeImH = 2-methylimidazolium and pfbz = pentafluorobenzoate has been isolated by reacting copper(II) sulfate pentahydrate, pentafluorobenzoic acid and 2-methylimidazole in ethanol: water mixture in 1:2:2 molar ratio. This complex 1 has been characterized by elemental analysis, thermogravimetric analysis, spectroscopic techniques (UV-Vis, FT-IR) and conductance measurements. The complex salt crystallizes in monoclinic crystal system with space group C2/c. Single crystal X-ray structure determination revealed the presence of discrete ions: [Cu(pfbz)4]2- anion and two 2-methylimidazolium cation (C4H7N2)+. The crystal lattice is stabilized by strong hydrogen bonding and F⋯F interactions between cationic-anionic and the anionic-anionic moieties respectively, besides π-π interactions.

  19. Organic complexation of radionuclides in cement pore water: a case study

    International Nuclear Information System (INIS)

    Hummel, W.

    1993-01-01

    The influence of the organic ligands EDTA (ethylenediaminetetraacetate), NTA (nitrilotriacetate), citrate and oxalate on the speciation of Cs, Sr, Ra, Ni, Pd, Tc, Sn, Zr, Th, U, Np, Pu, Am and Cm in cement pore waters is studied by means of chemical equilibria. Emphasis is laid on the development of a complete and consistent thermodynamic data base for the high pH range beyond pH 11. Missing data are estimated using free-energy relationships derived from a large number of experimentally determined stability constants compiled from the literature. In case where a sound estimation of stability constants is not possible due to the scarcity of quantitative information, at least upper limits are assessed for the stability of all possibly important species. Chemical equilibria were computed within the range of pH 11 to 13 and a range of Ca concentrations from 0.001 to 0.1 mol -1 (M). ETDA complexes predominate only in the case of Ni. In all other cases, the competition of Ca-organic or metal-hydroxo complexes successfully prevent any significant influence of EDTA, NTA, citrate or oxalate on the speciation of these radionuclides. (author) 10 figs., 9 refs

  20. Water-soluble ferrocene complexes (WFCs) functionalized silica nanospheres for WFC delivery in HepG2 tumor therapy.

    Science.gov (United States)

    Yan, Saisai; Hu, Fan; Hong, Xia; Shuai, Qi

    2018-09-01

    Silica-encapsulated nanospheres of water-soluble ferrocene complexes WFCs@SiO 2 and WFCs@SiO 2 @glutaraldehyde (GA) were first synthesized by a facile inverse-microemulsion method. The surface functional groups, particle size, and morphologies of nanospheres were characterized by IR spectra, UV-vis absorption spectra, dynamic light scattering (DLS) and SEM images. Single-crystal X-ray diffraction was used to confirm the molecular structure of free ferrocenyl-pyrazol ligand (L) and three WFCs, namely, [Ni(C 22 H 14 F 6 FeN 4 O 4 )(H 2 O) 4 ] (5a), [Mg(C 22 H 14 F 6 FeN 4 O 4 )(H 2 O) 4 ]·3H 2 O (5b), and [Ba(C 22 H 14 F 6 FeN 4 O 4 )(H 2 O) 3 ] (5c). The electrochemical properties of 5a-5c were explored by cyclic voltammetry. The WFCs-loading capacities of 5a-5c in WFCs@SiO 2 were found to be 38.4, 38.2, and 38.1 μg/mg, respectively. Cell studies under two drug delivery modes (free diffusion and endocytosis) were carried out by MTT cell-survival assays and morphological observation of HepG2 cells. It's interesting that the cytotoxicity of WFCs against HepG2 was increased by applying silica nanocarriers. Compared to WFCs@SiO 2 , the modification of GA on the spherical surface provided not only the better water-dispersity but also additional functional groups for further modification of other pharmacophores. The novel nanocarrier system for WFC delivery present a novel concept-of-proof method to protect varieties of affordable metal-based anticancer agents in physiological conditions and provided experimental basis for future studies focusing on drug delivery of other WFCs. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. Single step, pH induced gold nanoparticle chain formation in lecithin/water system.

    Science.gov (United States)

    Sharma, Damyanti

    2013-07-01

    Gold nanoparticle (AuNP) chains have been formed by a single step method in a lecithin/water system where lecithin itself plays the role of a reductant and a template for AuNP chain formation. Two preparative strategies were explored: (1) evaporating lecithin solution with aqueous gold chloride (HAuCl4) at different pHs and (2) dispersing lecithin vesicles in aqueous HAuCl4 solutions of various pHs in the range of 2.5-11.3. In method 1, at initial pH 2.5, 20-50 nm AuNPs are found attached to lecithin vesicles. When pH is raised to 5.5 there are no vesicles present and 20 nm monodisperse particles are found aggregating. Chain formation of fine nanoparticles (3-5 nm) is observed from neutral to basic pH, between 6.5-10.3 The chains formed are hundreds of nanometers to micrometer long and are usually 2-3 nanoparticles wide. On further increasing pH to 11.3, particles form disk-like or raft-like structures. When method (ii) was used a little chain formation was observed. Most of the nanoparticles formed were found either sitting together as raft like structures or scattered on lecithin structures. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Nanometre-thick single-crystalline nanosheets grown at the water-air interface

    Science.gov (United States)

    Wang, Fei; Seo, Jung-Hun; Luo, Guangfu; Starr, Matthew B.; Li, Zhaodong; Geng, Dalong; Yin, Xin; Wang, Shaoyang; Fraser, Douglas G.; Morgan, Dane; Ma, Zhenqiang; Wang, Xudong

    2016-01-01

    To date, the preparation of free-standing 2D nanomaterials has been largely limited to the exfoliation of van der Waals solids. The lack of a robust mechanism for the bottom-up synthesis of 2D nanomaterials from non-layered materials has become an obstacle to further explore the physical properties and advanced applications of 2D nanomaterials. Here we demonstrate that surfactant monolayers can serve as soft templates guiding the nucleation and growth of 2D nanomaterials in large area beyond the limitation of van der Waals solids. One- to 2-nm-thick, single-crystalline free-standing ZnO nanosheets with sizes up to tens of micrometres are synthesized at the water-air interface. In this process, the packing density of surfactant monolayers adapts to the sub-phase metal ions and guides the epitaxial growth of nanosheets. It is thus named adaptive ionic layer epitaxy (AILE). The electronic properties of ZnO nanosheets and AILE of other materials are also investigated.

  3. Influence of photo- and thermal bleaching on pre-irradiation low water peak single mode fibers

    Science.gov (United States)

    Yin, Jianchong; Wen, Jianxiang; Luo, Wenyun; Xiao, Zhongyin; Chen, Zhenyi; Wang, Tingyun

    2011-12-01

    Reducing the radiation-induced transmission loss in low water peak single mode fiber (LWP SMF) has been investigated by using photo-bleaching method with 980nm pump light source and using thermal-bleaching method with temperature control system. The results show that the radiation-induced loss of pre-irradiation optical fiber can be reduced effectively with the help of photo-bleaching or thermal-bleaching. Although the effort of photo-bleaching is not as significant as thermal-bleaching, by using photo-bleaching method, the loss of fiber caused by radiation-induced defects can be reduced best up to 49% at 1310nm and 28% at 1550nm in low pre-irradiation condition, the coating of the fiber are not destroyed, and the rehabilitating time is just several hours, while self-annealing usually costs months' time. What's more, the typical high power LASER for photo-bleaching can be 980nm pump Laser Diode, which is very accessible.

  4. Giant crystal-electric-field effect and complex magnetic behavior in single-crystalline CeRh3Si2

    Science.gov (United States)

    Pikul, A. P.; Kaczorowski, D.; Gajek, Z.; Stȩpień-Damm, J.; Ślebarski, A.; Werwiński, M.; Szajek, A.

    2010-05-01

    Single-crystalline CeRh3Si2 was investigated by means of x-ray diffraction, magnetic susceptibility, magnetization, electrical resistivity, and specific-heat measurements carried out in wide temperature and magnetic field ranges. Moreover, the electronic structure of the compound was studied at room temperature by cerium core-level x-ray photoemission spectroscopy (XPS). The physical properties were analyzed in terms of crystalline electric field and compared with results of ab initio band-structure calculations performed within the density-functional theory approach. The compound was found to crystallize in the orthorhombic unit cell of the ErRh3Si2 type (space group Imma No.74, Pearson symbol: oI24 ) with the lattice parameters a=7.1330(14)Å , b=9.7340(19)Å , and c=5.6040(11)Å . Analysis of the magnetic and XPS data revealed the presence of well-localized magnetic moments of trivalent cerium ions. All the physical properties were found to be highly anisotropic over the whole temperature range studied and influenced by exceptionally strong crystalline electric field with the overall splitting of the 4f1 ground multiplet exceeding 5700 K. Antiferromagnetic order of the cerium magnetic moments at TN=4.70(1)K and their subsequent spin rearrangement at Tt=4.48(1)K manifest themselves as distinct anomalies in the temperature characteristic of all the physical properties investigated and exhibit complex evolution in an external magnetic field. A tentative magnetic B-T phase diagram, constructed for B parallel to the b axis being the easy magnetization direction, shows very complex magnetic behavior of CeRh3Si2 , similar to that recently reported for an isostructural compound CeIr3Si2 . The electronic band-structure calculations corroborated the antiferromagnetic ordering of the cerium magnetic moments and well-reproduced the experimental XPS valence-band spectrum.

  5. Study of microbial community and biodegradation efficiency for single- and two-phase anaerobic co-digestion of brown water and food waste.

    Science.gov (United States)

    Lim, J W; Chen, C-L; Ho, I J R; Wang, J-Y

    2013-11-01

    The objective of this work was to study the microbial community and reactor performance for the anaerobic co-digestion of brown water and food waste in single- and two-phase continuously stirred tank reactors (CSTRs). Bacterial and archaeal communities were analyzed after 150 days of reactor operation. As compared to single-phase CSTR, methane production in two-phase CSTR was found to be 23% higher. This was likely due to greater extent of solubilization and acidification observed in the latter. These findings could be attributed to the predominance of Firmicutes and greater bacterial diversity in two-phase CSTR, and the lack of Firmicutes in single-phase CSTR. Methanosaeta was predominant in both CSTRs and this correlated to low levels of acetate in their effluent. Insights gained from this study would enhance the understanding of microorganisms involved in co-digestion of brown water and food waste as well as the complex biochemical interactions promoting digester stability and performance. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Conserved hydrogen bonds and water molecules in MDR HIV-1 protease substrate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhigang [Wayne State Univ., Detroit, MI (United States); Case Western Reserve Univ., Cleveland, OH (United States); Harbor Hospital Baltimore, MD (United States); Wang, Yong [Wayne State Univ., Detroit, MI (United States); Yedidi, Ravikiran S. [Wayne State Univ., Detroit, MI (United States); National Institutes of Health, Bethesda, MD (United States); Dewdney, Tamaria G. [Wayne State Univ., Detroit, MI (United States); Reiter, Samuel J. [Wayne State Univ., Detroit, MI (United States); Brunzelle, Joseph S. [Northwestern Univ. Feinberg School of Medicine, Chicago, IL (United States); Kovari, Iulia A. [Wayne State Univ., Detroit, MI (United States); Kovari, Ladislau C. [Wayne State Univ., Detroit, MI (United States)

    2012-12-19

    Success of highly active antiretroviral therapy (HAART) in anti-HIV therapy is severely compromised by the rapidly developing drug resistance. HIV-1 protease inhibitors, part of HAART, are losing their potency and efficacy in inhibiting the target. Multi-drug resistant (MDR) 769 HIV-1 protease (resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84, 90) was selected for the present study to understand the binding to its natural substrates. The nine crystal structures of MDR769 HIV-1 protease substrate hepta-peptide complexes were analyzed in order to reveal the conserved structural elements for the purpose of drug design against MDR HIV-1 protease. Our structural studies demonstrated that highly conserved hydrogen bonds between the protease and substrate peptides, together with the conserved crystallographic water molecules, played a crucial role in the substrate recognition, substrate stabilization and protease stabilization. Additionally, the absence of the key flap-ligand bridging water molecule might imply a different catalytic mechanism of MDR769 HIV-1 protease compared to that of wild type (WT) HIV-1 protease.

  7. CFD Numerical Simulation of the Complex Turbulent Flow Field in an Axial-Flow Water Pump

    Directory of Open Access Journals (Sweden)

    Wan-You Li

    2014-09-01

    Full Text Available Further optimal design of an axial-flow water pump calls for a thorough recognition of the characteristics of the complex turbulent flow field in the pump, which is however extremely difficult to be measured using the up-to-date experimental techniques. In this study, a numerical simulation procedure based on computational fluid dynamics (CFD was elaborated in order to obtain the fully three-dimensional unsteady turbulent flow field in an axial-flow water pump. The shear stress transport (SST k-ω model was employed in the CFD calculation to study the unsteady internal flow of the axial-flow pump. Upon the numerical simulation results, the characteristics of the velocity field and pressure field inside the impeller region were discussed in detail. The established model procedure in this study may provide guidance to the numerical simulations of turbomachines during the design phase or the investigation of flow and pressure field characteristics and performance. The presented information can be of reference value in further optimal design of the axial-flow pump.

  8. Spatial Regression and Prediction of Water Quality in a Watershed with Complex Pollution Sources.

    Science.gov (United States)

    Yang, Xiaoying; Liu, Qun; Luo, Xingzhang; Zheng, Zheng

    2017-08-16

    Fast economic development, burgeoning population growth, and rapid urbanization have led to complex pollution sources contributing to water quality deterioration simultaneously in many developing countries including China. This paper explored the use of spatial regression to evaluate the impacts of watershed characteristics on ambient total nitrogen (TN) concentration in a heavily polluted watershed and make predictions across the region. Regression results have confirmed the substantial impact on TN concentration by a variety of point and non-point pollution sources. In addition, spatial regression has yielded better performance than ordinary regression in predicting TN concentrations. Due to its best performance in cross-validation, the river distance based spatial regression model was used to predict TN concentrations across the watershed. The prediction results have revealed a distinct pattern in the spatial distribution of TN concentrations and identified three critical sub-regions in priority for reducing TN loads. Our study results have indicated that spatial regression could potentially serve as an effective tool to facilitate water pollution control in watersheds under diverse physical and socio-economical conditions.

  9. Base-enhanced catalytic water oxidation by a carboxylate–bipyridine Ru(II) complex

    Energy Technology Data Exchange (ETDEWEB)

    Song, Na [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States); Concepcion, Javier J. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Binstead, Robert A. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Rudd, Jennifer A. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Vannucci, Aaron K. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemistry and Biochemistry; Dares, Christopher J. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Coggins, Michael K. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry; Meyer, Thomas J. [Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Chemistry

    2015-04-06

    In aqueous solution above pH 2.4 with 4% (vol/vol) CH3CN, the complex [RuII(bda)(isoq)2] (bda is 2,2'-bipyridine-6,6'-dicarboxylate; isoq is isoquinoline) exists as the open-arm chelate, [RuII(CO2-bpy-CO2$-$)(isoq)2(NCCH3)], as shown by 1H and 13C-NMR, X-ray crystallography, and pH titrations. Rates of water oxidation with the open-arm chelate are remarkably enhanced by added proton acceptor bases, as measured by cyclic voltammetry (CV). In 1.0 M PO43–, the calculated half-time for water oxidation is ~7 μs. In conclusion, the key to the rate accelerations with added bases is direct involvement of the buffer base in either atom–proton transfer (APT) or concerted electron–proton transfer (EPT) pathways.

  10. Rotational Spectrum of the Methyl Salicylate-Water Complex: the Missing Conformer and the Tunneling Motions

    Science.gov (United States)

    Ghosh, Supriya; Thomas, Javix; Xu, Yunjie; Jäger, Wolfgang

    2015-06-01

    Methyl salicylate is a naturally occurring organic ester produced by wintergreen and other plants. It is also found in many over-the-counter remedies, such as muscle ache creams. The rotational spectrum of the methyl salicylate monomer was reported previously, where the most stable, dominant conformer was identified. The methyl salicylate-water complex was first studied using fluorescence-detected infrared spectroscopy; only one monohydrate conformer was found in that work. In the present study, we employed both broadband chirped and cavity based Fourier transform microwave spectroscopy to examine the competition between intra- and intermolecular hydrogen-bonding interactions and possible large amplitude motions associated with the methyl group and the water subunit. In contrast to the previous infrared study, two monohydrate conformers were identified, with carbonyl O or hydroxyl O as the hydrogen bond acceptors. Detailed analyses of the observed hyperfine structures will be presented, as well as our efforts to extend the study to larger methyl salicylate hydration clusters. S. Melandri, B. M. Giuliano, A. Maris, L. B. Favero, P. Ottaviani, B. Velino, W. Caminati, J. Phys. Chem. A. 2007, 111, 9076. A. Mitsuzuka, A. Fujii, T. Ebata, N. Mikami, J. Phys. Chem. A 1998, 102, 9779.

  11. Quantitative historical analysis uncovers a single dimension of complexity that structures global variation in human social organization

    Science.gov (United States)

    Turchin, Peter; Currie, Thomas E.; Whitehouse, Harvey; François, Pieter; Feeney, Kevin; Mullins, Daniel; Hoyer, Daniel; Collins, Christina; Grohmann, Stephanie; Mendel-Gleason, Gavin; Turner, Edward; Dupeyron, Agathe; Cioni, Enrico; Reddish, Jenny; Levine, Jill; Jordan, Greine; Brandl, Eva; Williams, Alice; Cesaretti, Rudolf; Krueger, Marta; Ceccarelli, Alessandro; Figliulo-Rosswurm, Joe; Tuan, Po-Ju; Peregrine, Peter; Marciniak, Arkadiusz; Preiser-Kapeller, Johannes; Kradin, Nikolay; Korotayev, Andrey; Palmisano, Alessio; Baker, David; Bidmead, Julye; Bol, Peter; Christian, David; Cook, Connie; Covey, Alan; Feinman, Gary; Júlíusson, Árni Daníel; Kristinsson, Axel; Miksic, John; Mostern, Ruth; Petrie, Cameron; Rudiak-Gould, Peter; ter Haar, Barend; Wallace, Vesna; Mair, Victor; Xie, Liye; Baines, John; Bridges, Elizabeth; Manning, Joseph; Lockhart, Bruce; Bogaard, Amy; Spencer, Charles

    2018-01-01

    Do human societies from around the world exhibit similarities in the way that they are structured, and show commonalities in the ways that they have evolved? These are long-standing questions that have proven difficult to answer. To test between competing hypotheses, we constructed a massive repository of historical and archaeological information known as “Seshat: Global History Databank.” We systematically coded data on 414 societies from 30 regions around the world spanning the last 10,000 years. We were able to capture information on 51 variables reflecting nine characteristics of human societies, such as social scale, economy, features of governance, and information systems. Our analyses revealed that these different characteristics show strong relationships with each other and that a single principal component captures around three-quarters of the observed variation. Furthermore, we found that different characteristics of social complexity are highly predictable across different world regions. These results suggest that key aspects of social organization are functionally related and do indeed coevolve in predictable ways. Our findings highlight the power of the sciences and humanities working together to rigorously test hypotheses about general rules that may have shaped human history. PMID:29269395

  12. Structural Complexity and Ecosystem Functions in a Natural Mixed Forest under a Single-Tree Selection Silviculture

    Directory of Open Access Journals (Sweden)

    Toshiya Yoshida

    2017-11-01

    Full Text Available The objective of forest management has become broader, and it is essential to harmonize timber production with conservation of the forest ecosystem. Selection cutting is recognized as a major alternative of clear-cutting, because it can maintain the complexity and heterogeneity of a natural forest; however, its long-term evaluations are limited. This study compared various attributes of stand structures, which are indicators of biodiversity and ecosystem carbon stock between managed and unmanaged blocks (12.6 ha area in total in a natural mixed forest in Hokkaido, the northernmost island of Japan. We found that 30 years’ implementation of single-tree selection did not affect the volume, size structure, species diversity nor spatial distribution of overstory trees in the managed stands. Also, the total carbon stock in the managed stands was almost equal to that of the unmanaged stands. In contrast, several structural attributes and indicator elements that are significant for biodiversity (such as large-diameter live trees, dead trees, cavities, epiphytic bryophytes, and some avian guilds showed marked decrease in the managed stands. We conclude that it is required to leave these structures and elements to some extent for deriving the merit of the management as an alternative silvicultural regime in the region.

  13. Regio- and Enantioselective N-Allylations of Imidazole, Benzimidazole, and Purine Heterocycles Catalyzed by Single-Component Metallacyclic Iridium Complexes

    Science.gov (United States)

    Stanley, Levi M.

    2010-01-01

    Highly regio- and enantioselective iridium-catalyzed N-allylations of benzimidazoles, imidazoles, and purines have been developed. N-Allylated benzimidazoles and imidazoles were isolated in high yields (up to 97%) with high branched-to-linear selectivity (up to 99:1) and enantioselectivity (up to 98% ee) from the reactions of benzimidazole and imidazole nucleophiles with unsymmetrical allylic carbonates in the presence of single component, ethylene-bound, metallacyclic iridium catalysts. N-Allylated purines were also obtained in high yields (up to 91%) with high N9:N7 selectivity (up to 96:4), high branched-to-linear selectivity (98:2), and high enantioselectivity (up to 98% ee) under similar conditions. The reactions encompass a range of benzimidazole, imidazole, and purine nucleophiles, as well as a variety of unsymmetrical aryl, heteroaryl, and aliphatic allylic carbonates. Competition experiments between common amine nucleophiles and the heterocyclic nitrogen nucleophiles studied in this work illustrate the effect of nucleophile pKa on the rate of iridium-catalyzed N-allylation reactions. Kinetic studies on the allylation of benzimidazole catalyzed by metallacyclic iridium-phosphoramidite complexes, in combination with studies on the deactivation of these catalysts in the presence of heterocyclic nucleophiles, provide insight into the effects of the structure of the phosphoramidite ligands on the stability of the metallacyclic catalysts. The data obtained from these studies has led to the development of N-allylations of benzimidazoles and imidazoles in the absence of an exogenous base. PMID:19480431

  14. Apparent partition coefficient in octanol-water and binding percentage to BSA of 153Sm(113,117Snm) complexes

    International Nuclear Information System (INIS)

    Yang Yuqing; Luo Shunzhong; Wang Guanquan; He Jiaheng; Bing Wenzeng; Pu Manfei; Wei Hongyuan; Wang Wenjin

    2004-01-01

    Apparent partition coefficient in octanol-water and binding percentage to BSA of 153 Sm-NTMP, 153 Sm-HEDTMP, 153 Sm-DCTMP, 153 Sm-EDTMP, 153 Sm-DTPMP, 113,117 Sn m -EDTMP, 113,117 Sn m -HEDTMP, 113,117 Sn m -DTPMP are measured. The results show that there is a linear relationship between the relative magnitude of the apparent partition coefficient in octanol-water and the relative magnitude of the binding percentage to BSA of these 153 Sm( 113,117 Sn m ) complexes. This linear relationship provides a new method for determination of the apparent partition coefficient in octanol-water of 153 Sm( 113,117 Sn m ) complexes of this kind. This linear relationship also implicates that hydrophobic force plays an important role in the binding of 153 Sm( 113,117 Sn m ) complexes to BSA

  15. Area G perimeter surface-soil and single-stage water sampling. Environmental surveillance for fiscal year 95. Progress report

    International Nuclear Information System (INIS)

    Childs, M.; Conrad, R.

    1997-09-01

    ESH-19 personnel collected soil and single-stage water samples around the perimeter of Area G at Los Alamos National Laboratory (LANL) during FY 95 to characterize possible radionuclide movement out of Area G through surface water and entrained sediment runoff. Soil samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241, and cesium-137. The single-stage water samples were analyzed for tritium and plutonium isotopes. All radiochemical data was compared with analogous samples collected during FY 93 and 94 and reported in LA-12986 and LA-13165-PR. Six surface soils were also submitted for metal analyses. These data were included with similar data generated for soil samples collected during FY 94 and compared with metals in background samples collected at the Area G expansion area

  16. Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems.

    Science.gov (United States)

    Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel

    2013-09-21

    We present a revised version of the water many-body model TCPE [M. Masella and J.-P. Flament, J. Chem. Phys. 107, 9105 (1997)], which is based on a static three charge sites and a single polarizable site to model the molecular electrostatic properties of water, and on an anisotropic short range many-body energy term specially designed to accurately model hydrogen bonding in water. The parameters of the revised model, denoted TCPE/2013, are here developed to reproduce the ab initio energetic and geometrical properties of small water clusters (up to hexamers) and the repulsive water interactions occurring in cation first hydration shells. The model parameters have also been refined to reproduce two liquid water properties at ambient conditions, the density and the vaporization enthalpy. Thanks to its computational efficiency, the new model range of applicability was validated by performing simulations of liquid water over a wide range of temperatures and pressures, as well as by investigating water liquid/vapor interfaces over a large range of temperatures. It is shown to reproduce several important water properties at an accurate enough level of precision, such as the existence liquid water density maxima up to a pressure of 1000 atm, the water boiling temperature, the properties of the water critical point (temperature, pressure, and density), and the existence of a "singularity" temperature at about 225 K in the supercooled regime. This model appears thus to be particularly well-suited for characterizing ion hydration properties under different temperature and pressure conditions, as well as in different phases and interfaces.

  17. Multi-tap complex-coefficient incoherent microwave photonic filters based on optical single-sideband modulation and narrow band optical filtering.

    Science.gov (United States)

    Sagues, Mikel; García Olcina, Raimundo; Loayssa, Alayn; Sales, Salvador; Capmany, José

    2008-01-07

    We propose a novel scheme to implement tunable multi-tap complex coefficient filters based on optical single sideband modulation and narrow band optical filtering. A four tap filter is experimentally demonstrated to highlight the enhanced tuning performance provided by complex coefficients. Optical processing is performed by the use of a cascade of four phase-shifted fiber Bragg gratings specifically fabricated for this purpose.

  18. Size-dependent binding energies and fine-structure splitting of excitonic complexes in single InAs/GaAs quantum dots

    International Nuclear Information System (INIS)

    Rodt, S.; Seguin, R.; Schliwa, A.; Guffarth, F.; Poetschke, K.; Pohl, U.W.; Bimberg, D.

    2007-01-01

    A systematic study of excitonic complexes confined in single InAs/GaAs quantum dots is presented. Emphasis is placed on the recombination energies of the excitonic complexes and on the fine-structure splitting of the bright exciton ground state. The values depend in a characteristic way on the size of the respective quantum dot which controls the number of bound hole states and the piezoelectric potential

  19. Quantifying nonpoint source emissions and their water quality responses in a complex catchment: A case study of a typical urban-rural mixed catchment

    Science.gov (United States)

    Chen, Lei; Dai, Ying; Zhi, Xiaosha; Xie, Hui; Shen, Zhenyao

    2018-04-01

    As two key threats to receiving water bodies, the generation mechanisms and processes of urban and agricultural nonpoint sources (NPSs) show clear differences, which lead to distinct characteristics of water quality responses with mixed land-uses catchments compared to single land-use ones. However, few studies have provided such insights in these characteristic or quantified different water environment responses to NPS pollution. In this study, an integrated modelling approach was developed for those complex catchments by combining three commonly used models: SWMM (Storm Water Management Model), SWAT (Soil and Water Assessment Tool) and MIKE 11. A case study was performed in a typical urban-rural catchment of Chao Lake, China. The simulated results indicated that urban NPS pollution responded sensitively to rainfall events and was greatly affected by the antecedent dry days. Compare to urban NPS, agricultural NPS pollution was characterized with the time-lag to rainfall depended on soil moisture and the post-rain-season emissions carried by lateral flows, and were also affected by the local farm-practice schedule. With comprehensive impacts from urban-rural land-uses, the time-interleaved urban and agricultural NPS pollution emissions and more abundant pollution accumulation both led to a decrease in the responsive time and an increase in the frequency of peak pollution concentration values even during the dry season. These obtained characteristics can provide guidance for drafting watershed management plans in similar mixed land use catchments.

  20. Enabling proactive agricultural drainage reuse for improved water quality through collaborative networks and low-complexity data-driven modelling

    OpenAIRE

    Zia, Huma

    2015-01-01

    With increasing prevalence of Wireless Sensor Networks (WSNs) in agriculture and hydrology, there exists an opportunity for providing a technologically viable solution for the conservation of already scarce fresh water resources. In this thesis, a novel framework is proposed for enabling a proactive management of agricultural drainage and nutrient losses at farm scale where complex models are replaced by in-situ sensing, communication and low complexity predictive models suited to an autonomo...

  1. Dielectric Response at THz Frequencies of Mg Water Complexes Interacting with O3 Calculated by Density Functional Theory

    Science.gov (United States)

    2012-10-24

    of the atoms in a chemical system , at the maximal peak of the energy surface separating reactants from products . In the transition state every normal...Hada, M. Ehara, K. Toyota , R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda , O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E...calculations of ground state resonance structure associated with water complexes of Mg and the interaction of these complexes with Ozone using DFT. The

  2. On issue of increasing profitability of automated energy technology complexes for preparation and combustion of water-coal suspensions

    Science.gov (United States)

    Brylina, O. G.; Osintsev, K. V.; Prikhodko, YU S.; Savosteenko, N. V.

    2018-03-01

    The article considers the issues of energy technological complexes economy increase on the existing techniques of water-coal suspensions preparation and burning basis due to application of highly effective control systems of electric drives and neurocontrol. The automated control system structure for the main boiler components is given. The electric drive structure is disclosed by the example of pumps (for transfer of coal-water mash and / or suspension). A system for controlling and diagnosing a heat and power complex based on a multi-zone regulator is proposed. The possibility of using neural networks for implementing the control algorithms outlined in the article is considered.

  3. Genetic and Biochemical Identification of a Novel Single-Stranded DNA-Binding Complex in Haloferax volcanii.

    Science.gov (United States)

    Stroud, Amy; Liddell, Susan; Allers, Thorsten

    2012-01-01

    Single-stranded DNA (ssDNA)-binding proteins play an essential role in DNA replication and repair. They use oligonucleotide/oligosaccharide-binding (OB)-folds, a five-stranded β-sheet coiled into a closed barrel, to bind to ssDNA thereby protecting and stabilizing the DNA. In eukaryotes the ssDNA-binding protein (SSB) is known as replication protein A (RPA) and consists of three distinct subunits that function as a heterotrimer. The bacterial homolog is termed SSB and functions as a homotetramer. In the archaeon Haloferax volcanii there are three genes encoding homologs of RPA. Two of the rpa genes (rpa1 and rpa3) exist in operons with a novel gene specific to Euryarchaeota; this gene encodes a protein that we have termed RPA-associated protein (rpap). The rpap genes encode proteins belonging to COG3390 group and feature OB-folds, suggesting that they might cooperate with RPA in binding to ssDNA. Our genetic analysis showed that rpa1 and rpa3 deletion mutants have differing phenotypes; only Δrpa3 strains are hypersensitive to DNA damaging agents. Deletion of the rpa3-associated gene rpap3 led to similar levels of DNA damage sensitivity, as did deletion of the rpa3 operon, suggesting that RPA3 and RPAP3 function in the same pathway. Protein pull-downs involving recombinant hexahistidine-tagged RPAs showed that RPA3 co-purifies with RPAP3, and RPA1 co-purifies with RPAP1. This indicates that the RPAs interact only with their respective associated proteins; this was corroborated by the inability to construct rpa1 rpap3 and rpa3 rpap1 double mutants. This is the first report investigating the individual function of the archaeal COG3390 RPA-associated proteins (RPAPs). We have shown genetically and biochemically that the RPAPs interact with their respective RPAs, and have uncovered a novel single-stranded DNA-binding complex that is unique to Euryarchaeota.

  4. Synthesis, characterization, single crystal X-ray determination, fluorescence and electrochemical studies of new dinuclear nickel(II) and oxovanadium(IV) complexes containing double Schiff base ligands

    Science.gov (United States)

    Shafaatian, Bita; Ozbakzaei, Zahra; Notash, Behrouz; Rezvani, S. Ahmad

    2015-04-01

    A series of new bimetallic complexes of nickel(II) and vanadium(IV) have been synthesized by the reaction of the new double bidentate Schiff base ligands with nickel acetate and vanadyl acetylacetonate in 1:1 M ratio. In nickel and also vanadyl complexes the ligands were coordinated to the metals via the imine N and enolic O atoms. The complexes have been found to possess 1:1 metals to ligands stoichiometry and the molar conductance data revealed that the metal complexes were non-electrolytes. The nickel and vanadyl complexes exhibited distorted square planar and square pyramidal coordination geometries, respectively. The emission spectra of the ligands and their complexes were studied in methanol. Electrochemical properties of the ligands and their metal complexes were also investigated in DMSO solvent at 150 mV s-1 scan rate. The ligands and metal complexes showed both quasi-reversible and irreversible processes at this scan rate. The Schiff bases and their complexes have been characterized by FT-IR, 1H NMR, UV/Vis spectroscopies, elemental analysis and conductometry. The crystal structure of the nickel complex has been determined by single crystal X-ray diffraction.

  5. Developing a Shuffled Complex-Self Adaptive Hybrid Evolution (SC-SAHEL) Framework for Water Resources Management and Water-Energy System Optimization

    Science.gov (United States)

    Rahnamay Naeini, M.; Sadegh, M.; AghaKouchak, A.; Hsu, K. L.; Sorooshian, S.; Yang, T.

    2017-12-01

    Meta-Heuristic optimization algorithms have gained a great deal of attention in a wide variety of fields. Simplicity and flexibility of these algorithms, along with their robustness, make them attractive tools for solving optimization problems. Different optimization methods, however, hold algorithm-specific strengths and limitations. Performance of each individual algorithm obeys the "No-Free-Lunch" theorem, which means a single algorithm cannot consistently outperform all possible optimization problems over a variety of problems. From users' perspective, it is a tedious process to compare, validate, and select the best-performing algorithm for a specific problem or a set of test cases. In this study, we introduce a new hybrid optimization framework, entitled Shuffled Complex-Self Adaptive Hybrid EvoLution (SC-SAHEL), which combines the strengths of different evolutionary algorithms (EAs) in a parallel computing scheme, and allows users to select the most suitable algorithm tailored to the problem at hand. The concept of SC-SAHEL is to execute different EAs as separate parallel search cores, and let all participating EAs to compete during the course of the search. The newly developed SC-SAHEL algorithm is designed to automatically select, the best performing algorithm for the given optimization problem. This algorithm is rigorously effective in finding the global optimum for several strenuous benchmark test functions, and computationally efficient as compared to individual EAs. We benchmark the proposed SC-SAHEL algorithm over 29 conceptual test functions, and two real-world case studies - one hydropower reservoir model and one hydrological model (SAC-SMA). Results show that the proposed framework outperforms individual EAs in an absolute majority of the test problems, and can provide competitive results to the fittest EA algorithm with more comprehensive information during the search. The proposed framework is also flexible for merging additional EAs, boundary

  6. Economics of Condensing Gas Furnaces and Water Heaters Potential in Residential Single Family Homes

    OpenAIRE

    Lekov, Alex

    2010-01-01

    Residential space and water heating accounts for over 90percent of total residential primary gas consumption in the United States. Condensing space and water heating equipment are 10-30percent more energy-efficient than conventional space and water heating. Currently, condensing gas furnaces represent 40 percent of shipments and are common in the Northern U.S. market. Meanwhile, manufacturers are planning to develop condensing gas storage water heaters to qualify for Energy Star? certificati...

  7. Documentation of 50% water conservation in a single process at a beef abattoir

    Science.gov (United States)

    Beef slaughter is water intensive due to stringent food safety requirements. We conducted a study at a commercial beef processor to demonstrate water conservation by modifying the mechanical head wash. We documented the initial nozzle configuration (112 nozzles), water pressure (275 kPa), and flowra...

  8. Documentation of 50% water conservation in a single process at a beef abattoir. Meat Science

    Science.gov (United States)

    Beef slaughter is water intensive due to stringent food safety requirements. We conducted a study at a commercial beef processor to demonstrate water conservation by modifying the mechanical head wash. We documented the initial nozzle configuration (112 nozzles), water pressure (275 kPa), and flowra...

  9. Directed weighted network structure analysis of complex impedance measurements for characterizing oil-in-water bubbly flow.

    Science.gov (United States)

    Gao, Zhong-Ke; Dang, Wei-Dong; Xue, Le; Zhang, Shan-Shan

    2017-03-01

    Characterizing the flow structure underlying the evolution of oil-in-water bubbly flow remains a contemporary challenge of great interests and complexity. In particular, the oil droplets dispersing in a water continuum with diverse size make the study of oil-in-water bubbly flow really difficult. To study this issue, we first design a novel complex impedance sensor and systematically conduct vertical oil-water flow experiments. Based on the multivariate complex impedance measurements, we define modalities associated with the spatial transient flow structures and construct modality transition-based network for each flow condition to study the evolution of flow structures. In order to reveal the unique flow structures underlying the oil-in-water bubbly flow, we filter the inferred modality transition-based network by removing the edges with small weight and resulting isolated nodes. Then, the weighted clustering coefficient entropy and weighted average path length are employed for quantitatively assessing the original network and filtered network. The differences in network measures enable to efficiently characterize the evolution of the oil-in-water bubbly flow structures.

  10. Single-row versus double-row capsulolabral repair: a comparative evaluation of contact pressure and surface area in the capsulolabral complex-glenoid bone interface.

    Science.gov (United States)

    Kim, Doo-Sup; Yoon, Yeo-Seung; Chung, Hoi-Jeong

    2011-07-01

    Despite the attention that has been paid to restoration of the capsulolabral complex anatomic insertion onto the glenoid, studies comparing the pressurized contact area and mean interface pressure at the anatomic insertion site between a single-row repair and a double-row labral repair have been uncommon. The purpose of our study was to compare the mean interface pressure and pressurized contact area at the anatomic insertion site of the capsulolabral complex between a single-row repair and a double-row repair technique. Controlled laboratory study. Thirty fresh-frozen cadaveric shoulders (mean age, 61 ± 8 years; range, 48-71 years) were used for this study. Two types of repair were performed on each specimen: (1) a single-row repair and (2) a double-row repair. Using pressure-sensitive films, we examined the interface contact area and contact pressure. The mean interface pressure was greater for the double-row repair technique (0.29 ± 0.04 MPa) when compared with the single-row repair technique (0.21 ± 0.03 MPa) (P = .003). The mean pressurized contact area was also significantly greater for the double-row repair technique (211.8 ± 18.6 mm(2), 78.4% footprint) compared with the single-row repair technique (106.4 ± 16.8 mm(2), 39.4% footprint) (P = .001). The double-row repair has significantly greater mean interface pressure and pressurized contact area at the insertion site of the capsulolabral complex than the single-row repair. The double-row repair may be advantageous compared with the single-row repair in restoring the native footprint area of the capsulolabral complex.

  11. Efficient Disinfection of Tap and Surface Water with Single High Power 285 nm LED and Square Quartz Tube

    Directory of Open Access Journals (Sweden)

    Martin Hessling

    2016-01-01

    Full Text Available A small water disinfection system based on the combination of a strong single 25 mW LED with a wavelength of 285 nm and a short quartz tube with an outer rectangular cross section is presented. For the disinfection tests clear tap water and slightly turbid and yellow pond water are contaminated with high concentrations of Escherichia coli bacteria. These water samples are exposed to the germicidal 285 nm LED radiation while they flow through the quartz tube. The portion of surviving germs is determined by membrane filtration for different water qualities and flow rates. For clear tap water the bacteria concentration can be reduced by at least three orders of magnitude up to flow rates of about 20 L/h. In pond water the maximum flow rate for such a reduction is less than 3 L/h. These high disinfection capabilities and the small size of this system, allow its integration in medical systems for point of use disinfection or even its application in the Third World for decentralized water disinfection powered by small solar cells, because this disinfection capacity should be sufficient for small groups or families.

  12. Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length.

    Science.gov (United States)

    Portella, Guillem; Pohl, Peter; de Groot, Bert L

    2007-06-01

    We investigated the structural and energetic determinants underlying water permeation through peptidic nanopores, motivated by recent experimental findings that indicate that water mobility in single-file water channels displays nonlinear length dependence. To address the molecular mechanism determining the observed length dependence, we studied water permeability in a series of designed gramicidin-like channels of different length using atomistic molecular dynamics simulations. We found that within the studied range of length the osmotic water permeability is independent of pore length. This result is at variance with textbook models, where the relationship is assumed to be linear. Energetic analysis shows that loss of solvation rather than specific water binding sites in the pore form the main energetic barrier for water permeation, consistent with our dynamics results. For this situation, we propose a modified expression for osmotic permeability that fully takes into account water motion collectivity and does not depend on the pore length. Different schematic barrier profiles are discussed that explain both experimental and computational interpretations, and we propose a set of experiments aimed at validation of the presented results. Implications of the results for the design of peptidic channels with desired permeation characteristics are discussed.

  13. Humic substances in natural waters and their complexation with trace metals and radionuclides: a review. [129 references

    Energy Technology Data Exchange (ETDEWEB)

    Boggs, S. Jr.; Livermore, D.; Seitz, M.G.

    1985-07-01

    Dissolved humic substances (humic and fulvic acids) occur in surface waters and groundwaters in concentrations ranging from less than 1 mg(C)/L to more than 100 mg(C)/L. Humic substances are strong complexing agents for many trace metals in the environment and are also capable of forming stable soluble complexes or chelates with radionuclides. Concentrations of humic materials as low as 1 mg(C)/L can produce a detectable increase in the mobility of some actinide elements by forming soluble complexes that inhibit sorption of the radionuclides onto rock materials. The stability of trace metal- or radionuclide-organic complexes is commonly measured by an empirically determined conditional stability constant (K'), which is based on the ratio of complexed metal (radionuclide) in solution to the product concentration of uncomplexed metal and humic complexant. Larger values of stability constants indicate greater complex stability. The stability of radionuclide-organic complexes is affected both by concentration variables and envionmental factors. In general, complexing is favored by increased of radionuclide, increased pH, and decreased ionic strength. Actinide elements are generally most soluble in their higher oxidation states. Radionuclides can also form stable, insoluble complexes with humic materials that tend to reduce radionuclide mobility. These insoluble complexes may be radionuclide-humate colloids that subsequently precipitate from solution, or complexes of radionuclides and humic substances that sorb to clay minerals or other soil particulates strongly enough to immobilize the radionuclides. Colloid formation appears to be favored by increased radionuclide concentration and lowered pH; however, the conditions that favor formation of insoluble complexes that sorb to particulates are still poorly understood. 129 refs., 25 figs., 19 tabs.

  14. Construction and Self-Assembly of Single-Chain Polymer Nanoparticles via Coordination Association and Electrostatic Repulsion in Water.

    Science.gov (United States)

    Zhu, Zhengguang; Xu, Na; Yu, Qiuping; Guo, Lei; Cao, Hui; Lu, Xinhua; Cai, Yuanli

    2015-08-01

    Simultaneous coordination-association and electrostatic-repulsion interactions play critical roles in the construction and stabilization of enzymatic function metal centers in water media. These interactions are promising for construction and self-assembly of artificial aqueous polymer single-chain nanoparticles (SCNPs). Herein, the construction and self-assembly of dative-bonded aqueous SCNPs are reported via simultaneous coordination-association and electrostatic-repulsion interactions within single chains of histamine-based hydrophilic block copolymer. The electrostatic-repulsion interactions are tunable through adjusting the imidazolium/imidazole ratio in response to pH, and in situ Cu(II)-coordination leads to the intramolecular association and single-chain collapse in acidic water. SCNPs are stabilized by the electrostatic repulsion of dative-bonded block and steric shielding of nonionic water-soluble block, and have a huge specific surface area of function metal centers accessible to substrates in acidic water. Moreover, SCNPs can assemble into micelles, networks, and large particles programmably in response to the solution pH. These unique media-sensitive phase-transformation behaviors provide a general, facile, and versatile platform for the fabrication of enzyme-inspired smart aqueous catalysts. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Polarographic study of Cd(II)-Schiff base complexes and d.m.e. menthanol-water medium

    International Nuclear Information System (INIS)

    Patel, M.S.; Trivedi, T.; Vyas, D.N.

    1978-01-01

    Three Schiff base complexes of Cd 2+ have been investigated polarographically in 60% menthanol-water medium at 26 0 C. The Schiff bases used are salicyladehyde tris buffer (ST), benzaldehydetris buffer (BT) and vanillin tris buffer (VT). Cd-ST and Cd-VT complexes produce reversible reduction wave at dme, while Cd-BT gives a quasi reversible wave. Stability constants of the complexes have been determined and the standard overall electrode reaction rate constant (ksub(e)sup(o)) B of the Cd-BT complex is determined by three different methods. The log β values of complexes are : Cd-ST, 2.72; Cd-VT, 4.90; and Cd-BT, 4.41. (author)

  16. Transport mechanisms in capillary condensation of water at a single-asperity nanoscopic contact.

    Science.gov (United States)

    Sirghi, Lucel

    2012-02-07

    Transport mechanisms involved in capillary condensation of water menisci in nanoscopic gaps between hydrophilic surfaces are investigated theoretically and experimentally by atomic force microscopy (AFM) measurements of capillary force. The measurements showed an instantaneous formation of a water meniscus by coalescence of the water layers adsorbed on the AFM tip and sample surfaces, followed by a time evolution of meniscus toward a stationary state corresponding to thermodynamic equilibrium. This dynamics of the water meniscus is indicated by time evolution of the meniscus force, which increases with the contact time toward its equilibrium value. Two water transport mechanisms competing in this meniscus dynamics are considered: (1) Knudsen diffusion and condensation of water molecules in the nanoscopic gap and (2) adsorption of water molecules on the surface region around the contact and flow of the surface water toward the meniscus. For the case of very hydrophilic surfaces, the dominant role of surface water transportation on the meniscus dynamics is supported by the results of the AFM measurements of capillary force of water menisci formed at sliding tip-sample contacts. These measurements revealed that fast movement of the contact impedes on the formation of menisci at thermodynamic equilibrium because the flow of the surface water is too slow to reach the moving meniscus.

  17. Single particle ICP-MS combined with a data evaluastion tool as a routine techique for the analysis of nanoparticles in complex matrices

    NARCIS (Netherlands)

    Peters, R.J.B.; Herrera-Rivera, Z.; Undas, A.K.; Lee, van der M.K.; Marvin, H.J.P.; Bouwmeester, H.; Weigel, S.

    2015-01-01

    Detection and characterization of nanoparticles (NPs) in complex media as consumer products, food and toxicological test media is an essential part of understanding the potential benefits and risks of the application of nanoparticles. Single particle ICP-MS (spICP-MS) was studied as a screening tool

  18. Biological water-oxidizing complex: a nano-sized manganese-calcium oxide in a protein environment.

    Science.gov (United States)

    Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Yang, Young Nam; Aro, Eva-Mari; Carpentier, Robert; Eaton-Rye, Julian J; Lee, Choon-Hwan; Allakhverdiev, Suleyman I

    2012-10-01

    The resolution of Photosystem II (PS II) crystals has been improved using isolated PS II from the thermophilic cyanobacterium Thermosynechococcus vulcanus. The new 1.9 Å resolution data have provided detailed information on the structure of the water-oxidizing complex (Umena et al. Nature 473: 55-61, 2011). The atomic level structure of the manganese-calcium cluster is important for understanding the mechanism of water oxidation and to design an efficient catalyst for water oxidation in artificial photosynthetic systems. Here, we have briefly reviewed our knowledge of the structure and function of the cluster.

  19. Age and source of water in springs associated with the Jacksonville Thrust Fault Complex, Calhoun County, Alabama

    Science.gov (United States)

    Robinson, James L.

    2004-01-01

    Water from wells and springs accounts for more than 90 percent of the public water supply in Calhoun County, Alabama. Springs associated with the Jacksonville Thrust Fault Complex are used for public water supply for the cities of Anniston and Jacksonville. The largest ground-water supply is Coldwater Spring, the primary source of water for Anniston, Alabama. The average discharge of Coldwater Spring is about 32 million gallons per day, and the variability of discharge is about 75 percent. Water-quality samples were collected from 6 springs and 15 wells in Calhoun County from November 2001 to January 2003. The pH of the ground water typically was greater than 6.0, and specific conductance was less than 300 microsiemens per centimeter. The water chemistry was dominated by calcium, carbonate, and bicarbonate ions. The hydrogen and oxygen isotopic composition of the water samples indicates the occurrence of a low-temperature, water-rock weathering reaction known as silicate hydrolysis. The residence time of the ground water, or ground-water age, was estimated by using analysis of chlorofluorocarbon, sulfur hexafluoride, and regression modeling. Estimated ground-water ages ranged from less than 10 to approximately 40 years, with a median age of about 18 years. The Spearman rho test was used to identify statistically significant covariance among selected physical properties and constituents in the ground water. The alkalinity, specific conductance, and dissolved solids increased as age increased; these correlations reflect common changes in ground-water quality that occur with increasing residence time and support the accuracy of the age estimates. The concentration of sodium and chloride increased as age increased; the correlation of these constituents is interpreted to indicate natural sources for chloride and sodium. The concentration of silica increased as the concentration of potassium increased; this correlation, in addition to the isotopic data, is evidence that

  20. Comparison of trace metal bioavailabilities in European coastal waters using mussels from Mytilus edulis complex as biomonitors

    NARCIS (Netherlands)

    Przytarska, J.E.; Sokołowski, A.; Wołowicz, M.; Hummel, H.; Jansen, J.M.

    2010-01-01

    Mussels from Mytilus edulis complex were used as biomonitors of the trace metals Fe, Mn, Pb, Zn, and Cu at 17 sampling sites to assess the relative bioavailability of metals in coastal waters around the European continent. Because accumulated metal concentrations in a given area can differ

  1. Scripted collaboration in serious gaming for complex learning: Effects of multiple perspectives when acquiring water management skills

    NARCIS (Netherlands)

    Hummel, Hans; Van Houcke, Jasper; Nadolski, Rob; Van der Hiele, Tony; Kurvers, Hub; Löhr, Ansje

    2010-01-01

    Hummel, H. G. K., Van Houcke, J., Nadolski, R. J., Van der Hiele, T., Kurvers, H., & Löhr, A. (2011). Scripted collaboration in gaming for complex learning: Effects of multiple perspectives when acquiring water management skills. British Journal of Educational Technology, 42(6),

  2. Kinetic stability of the dysprosium(3) complex with tetraazaporphine in acetic acid-water and acetic acid-methanol mixtures

    International Nuclear Information System (INIS)

    Khelevina, O.G.; Vojnov, A.A.

    1999-01-01

    Water-soluble dysprosium tetraazaporphine with acetylacetonate-ion as extraligand is synthesized for the first time. Its kinetic stability in acetic acid solutions is investigated. It is shown that the complex is dissociated with formation of free tetraazaporphine. Kinetic parameters of dissociation reaction are determined [ru

  3. The presence of opportunistic pathogens, Legionella spp., L. pneumophila and Mycobacterium avium complex, in South Australian reuse water distribution pipelines.

    Science.gov (United States)

    Whiley, H; Keegan, A; Fallowfield, H; Bentham, R

    2015-06-01

    Water reuse has become increasingly important for sustainable water management. Currently, its application is primarily constrained by the potential health risks. Presently there is limited knowledge regarding the presence and fate of opportunistic pathogens along reuse water distribution pipelines. In this study opportunistic human pathogens Legionella spp., L. pneumophila and Mycobacterium avium complex were detected using real-time polymerase chain reaction along two South Australian reuse water distribution pipelines at maximum concentrations of 10⁵, 10³ and 10⁵ copies/mL, respectively. During the summer period of sampling the concentration of all three organisms significantly increased (P < 0.05) along the pipeline, suggesting multiplication and hence viability. No seasonality in the decrease in chlorine residual along the pipelines was observed. This suggests that the combination of reduced chlorine residual and increased water temperature promoted the presence of these opportunistic pathogens.

  4. Area G perimeter surface-soil and single-stage water sampling: Environmental surveillance for fiscal year 1993

    International Nuclear Information System (INIS)

    Conrad, R.; Childs, M.; Rivera-Dirks, C.; Coriz, F.

    1995-07-01

    Area G, in Technical Area 54, has been the principle facility at Los Alamos National Laboratory for the storage and disposal of low-level and transuranic (TRU) radioactive wastes since 1957. The current environmental investigation consisted of ESH-19 personnel who collected soil and single-stage water samples around the perimeter of Area G to characterize possible contaminant movement through surface-water runoff. These samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241 (soil only), and cesium 137. The metals, mercury, lead, and barium, were analyzed using x-ray fluorescence

  5. [The effect of a single inhalation of mineral water on the blood hormonal status in healthy volunteers].

    Science.gov (United States)

    Khinchagov, B P; Polushina, N D; Frolkov, V K

    1998-01-01

    Concentrations of ACTH, TTH, STH, LH, PSH, hydrocortisone, insulin, glucagone, triiodthyronine, thyroxine, aldosterone, glucose and unesterified fatty acids (NEFA) were measured in the blood of 23 healthy male volunteers aged 18 to 35 years 15, 30 and 60 min after a single nose inhalation and oral intake of mineral water Essentuki No. 17. Inhalation of Essentuki No. 17 stimulated secretion of the hormones and some parameters of metabolic reactions: the levels of glucose, NEFA, hydrocortisone, aldosterone, TTH, PSH and LH rose while those of insulin and growth hormone decreased. Oral intake of this water brought about the same changes in the hormone status except blood insulin the levels of which went up.

  6. Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

    Science.gov (United States)

    Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

    2015-08-01

    Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed

  7. Effect of intracrystalline water on micro-Vickers hardness in tetragonal hen egg-white lysozyme single crystals

    International Nuclear Information System (INIS)

    Koizumi, H; Kawamoto, H; Tachibana, M; Kojima, K

    2008-01-01

    Mechanical properties of high quality tetragonal hen egg-white lysozyme single crystals which are one type of protein crystal were investigated by the indentation method. The indentation marks were clearly observed on the crystal surface and no elastic recovery of them occurred. The value of the micro-Vickers hardness in the wet condition was estimated to be about 20 MPa at room temperature. The hardness greatly depended on the amount of intracrystalline water (mobile water) contained in the crystals. The hardness increased with increasing evaporation time to air at room temperature. It reached the maximum at about 260 MPa, which is 13 times as much as that in the wet condition. The origin of such a change in hardness was explained in terms of the dislocation mechanisms in lysozyme single crystals

  8. Environmental complexity of a port: Evidence from circulation of the water masses, and composition and contamination of bottom sediments.

    Science.gov (United States)

    Cutroneo, L; Carbone, C; Consani, S; Vagge, G; Canepa, G; Capello, M

    2017-06-15

    Ports are complex environments due to their complicated geometry (quays, channels, and piers), the presence of human activities (vessel traffic, shipyards, industries, and discharges), and natural factors (stream and torrent inputs, sea action, and currents). Taking these factors into consideration, we have examined the marine environment of a port from the point of view of the circulation of the water masses, hydrological characteristics, distribution of the sediment grain-size, mineralogical characteristics, and metal concentrations of the bottom sediments. Our results show that, in the case of the Port of Genoa (north-western Italy), the impact of human activities (such as a coal power-plant, oil depots, shipyards, dredging of the bottom sediments, etc.), natural processes (such as currents, fresh water and sediment inputs from the torrents), and the morphology of the basin, are important factors in the sediment, water, and metal distributions that have given rise to a complex environment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Combining cationic and anionic mixed-mode sorbents in a single cartridge to extract basic and acidic pharmaceuticals simultaneously from environmental waters.

    Science.gov (United States)

    Salas, Daniela; Borrull, Francesc; Fontanals, Núria; Marcé, Rosa Maria

    2018-01-01

    The aim of the present study is to broaden the applications of mixed-mode ion-exchange solid-phase extraction sorbents to extract both basic and acidic compounds simultaneously by combining the sorbents in a single cartridge and developing a simplified extraction procedure. Four different cartridges containing negative and positive charges in the same configuration were evaluated and compared to extract a group of basic, neutral, and acidic pharmaceuticals selected as model compounds. After a thorough optimization of the extraction conditions, the four different cartridges showed to be capable of retaining basic and acidic pharmaceuticals simultaneously through ionic interactions, allowing the introduction of a washing step with 15 mL methanol to eliminate interferences retained by hydrophobic interactions. Using the best combined cartridge, a method was developed, validated, and further applied to environmental waters to demonstrate that the method is promising for the extraction of basic and acidic compounds from very complex samples.

  10. Stabilization and activation of alpha-chymotrypsin in water-organic solvent systems by complex formation with oligoamines.

    Science.gov (United States)

    Kudryashova, Elena V; Artemova, Tatiana M; Vinogradov, Alexei A; Gladilin, Alexander K; Mozhaev, Vadim V; Levashov, Andrey V

    2003-04-01

    Formation of enzyme-oligoamine complexes was suggested as an approach to obtain biocatalysts with enhanced resistance towards inactivation in water-organic media. Complex formation results in broadening (by 20-40% v/v ethanol) of the range of cosolvent concentrations where the enzyme retains its catalytic activity (stabilization effect). At moderate cosolvent concentrations (20-40% v/v) complex formation activates the enzyme (by 3-6 times). The magnitude of activation and stabilization effects increases with the number of possible electrostatic contacts between the protein surface and the molecules of oligoamines (OA). Circular dichroism spectra in the far-UV region show that complex formation stabilizes protein conformation and prevents aggregation in water-organic solvent mixtures. Two populations of the complexes with different thermodynamic stabilities were found in alpha-chymotrypsin (CT)-OA systems depending on the CT/OA ratio. The average dissociation constants and stoichiometries of both low- and high-affinity populations of the complexes were estimated. It appears that it is the low-affinity sites on the CT surface that are responsible for the activation effect.

  11. Diffusion, capture and recycling of SCAR/WAVE and Arp2/3 complexes observed in cells by single-molecule imaging

    Science.gov (United States)

    Millius, Arthur; Watanabe, Naoki; Weiner, Orion D.

    2012-01-01

    The SCAR/WAVE complex drives lamellipodium formation by enhancing actin nucleation by the Arp2/3 complex. Phosphoinositides and Rac activate the SCAR/WAVE complex, but how SCAR/WAVE and Arp2/3 complexes converge at sites of nucleation is unknown. We analyzed the single-molecule dynamics of WAVE2 and p40 (subunits of the SCAR/WAVE and Arp2/3 complexes, respectively) in XTC cells. We observed lateral diffusion of both proteins and captured the transition of p40 from diffusion to network incorporation. These results suggest that a diffusive 2D search facilitates binding of the Arp2/3 complex to actin filaments necessary for nucleation. After nucleation, the Arp2/3 complex integrates into the actin network and undergoes retrograde flow, which results in its broad distribution throughout the lamellipodium. By contrast, the SCAR/WAVE complex is more restricted to the cell periphery. However, with single-molecule imaging, we also observed WAVE2 molecules undergoing retrograde motion. WAVE2 and p40 have nearly identical speeds, lifetimes and sites of network incorporation. Inhibition of actin retrograde flow does not prevent WAVE2 association and disassociation with the membrane but does inhibit WAVE2 removal from the actin cortex. Our results suggest that membrane binding and diffusion expedites the recruitment of nucleation factors to a nucleation site independent of actin assembly, but after network incorporation, ongoing actin polymerization facilitates recycling of SCAR/WAVE and Arp2/3 complexes. PMID:22349699

  12. Sol-Gel Derived Adsorbents with Enzymatic and Complexonate Functions for Complex Water Remediation

    Directory of Open Access Journals (Sweden)

    Roman P. Pogorilyi

    2017-09-01

    Full Text Available Sol-gel technology is a versatile tool for preparation of complex silica-based materials with targeting functions for use as adsorbents in water purification. Most efficient removal of organic pollutants is achieved by using enzymatic reagents grafted on nano-carriers. However, enzymes are easily deactivated in the presence of heavy metal cations. In this work, we avoided inactivation of immobilized urease by Cu (II and Cd (II ions using magnetic nanoparticles provided with additional complexonate (diethylene triamine pentaacetic acid or DTPA functions. Obtained nanomaterials were characterized by Fourier transform infrared spectroscopy (FTIR, thermogravimetric analysis (TGA, and scanning electron microscopy (SEM. According to TGA, the obtained Fe3O4/SiO2-NH2-DTPA nanoadsorbents contained up to 0.401 mmol/g of DTPA groups. In the concentration range Ceq = 0–50 mmol/L, maximum adsorption capacities towards Cu (II and Cd (II ions were 1.1 mmol/g and 1.7 mmol/g, respectively. Langmuir adsorption model fits experimental data in concentration range Ceq = 0–10 mmol/L. The adsorption mechanisms have been evaluated for both of cations. Crosslinking of 5 wt % of immobilized urease with glutaraldehyde prevented the loss of the enzyme in repeated use of the adsorbent and improved the stability of the enzymatic function leading to unchanged activity in at least 18 cycles. Crosslinking of 10 wt % urease on the surface of the particles allowed a decrease in urea concentration in 20 mmol/L model solutions to 2 mmol/L in up to 10 consequent decomposition cycles. Due to the presence of DTPA groups, Cu2+ ions in concentration 1 µmol/L did not significantly affect the urease activity. Obtained magnetic Fe3O4/SiO2-NH2-DTPA-Urease nanocomposite sorbents revealed a high potential for urease decomposition, even in presence of heavy metal ions.

  13. An analytical solution for the estimation of the critical available soil water fraction for a single layer water balance model under growing crops

    Directory of Open Access Journals (Sweden)

    N. Brisson

    1998-01-01

    Full Text Available In the framework of simplified water balance models devoted to irrigation scheduling or crop modelling, the relative transpiration rate (the ratio of actual to maximal transpiration is assumed to decrease linearly when the soil dries out below a critical available water value. This value is usually expressed as a fraction, F, of the maximal available soil water content. The present work aims to use the basic laws governing water transfer through the plants at a daily time step to compute F dynamically as the crop grows. It can be regarded as an expansion of Slabbers' (1980 approach to crop growing conditions. Starting from the mathematical representation given by single-root models (Gardner, 1960, an analytical expression for F is derived, using simplified hypotheses. This expression accounts for plant attributes such as the mean root radius, the critical leaf water potential for stomatal closure and the root length density profile growing with the crop. Environmental factors such as soil type and atmospheric demand also influence F. The structural influence of soil comes from the required introduction of the bulk soil hydraulic conductivity in the single-root model. The shape of the root length density profile is assumed to be sigmoidal and a new profile is calculated at each value of the rooting depth. A sensitivity analysis of F to all those factors is presented. The first general result is that F decreases as the root system grows in depth. Differences in the shape of the root profile can be responsible for differential water stress sensitivity in the early stages of growth. Yet, low critical leaf water potential can compensate partially for a poor root profile. Conversely, F is relatively insensitive to the average root radius. F sensitivity to soil type seems somewhat artificial: given the bulk soil hydraulic conductivity formula, the soil sensitivity results from F being expressed as a fraction of the maximal available soil water content

  14. Connecting diffusion and entropy of bulk water at the single particle ...

    Indian Academy of Sciences (India)

    The relation between the dynamic (e.g., diffusion) and thermodynamic (e.g., entropy) properties of water and water-like liquids has been an active area of research for a long time. Although several studies have investigated the diffusivity and entropy for different systems, these studies have probed either the configurational ...

  15. Estimating of aquifer parameters from the single-well water-level measurements in response to advancing longwall mine by using particle swarm optimization

    Science.gov (United States)

    Buyuk, Ersin; Karaman, Abdullah

    2017-04-01

    We estimated transmissivity and storage coefficient values from the single well water-level measurements positioned ahead of the mining face by using particle swarm optimization (PSO) technique. The water-level response to the advancing mining face contains an semi-analytical function that is not suitable for conventional inversion shemes because the partial derivative is difficult to calculate . Morever, the logaritmic behaviour of the model create difficulty for obtaining an initial model that may lead to a stable convergence. The PSO appears to obtain a reliable solution that produce a reasonable fit between water-level data and model function response. Optimization methods have been used to find optimum conditions consisting either minimum or maximum of a given objective function with regard to some criteria. Unlike PSO, traditional non-linear optimization methods have been used for many hydrogeologic and geophysical engineering problems. These methods indicate some difficulties such as dependencies to initial model, evolution of the partial derivatives that is required while linearizing the model and trapping at local optimum. Recently, Particle swarm optimization (PSO) became the focus of modern global optimization method that is inspired from the social behaviour of birds of swarms, and appears to be a reliable and powerful algorithms for complex engineering applications. PSO that is not dependent on an initial model, and non-derivative stochastic process appears to be capable of searching all possible solutions in the model space either around local or global optimum points.

  16. A new bio-optical algorithm for the remote sensing of algal blooms in complex ocean waters

    Science.gov (United States)

    Shanmugam, Palanisamy

    2011-04-01

    A new bio-optical algorithm has been developed to provide accurate assessments of chlorophyll a (Chl a) concentration for detection and mapping of algal blooms from satellite data in optically complex waters, where the presence of suspended sediments and dissolved substances can interfere with phytoplankton signal and thus confound conventional band ratio algorithms. A global data set of concurrent measurements of pigment concentration and radiometric reflectance was compiled and used to develop this algorithm that uses the normalized water-leaving radiance ratios along with an algal bloom index (ABI) between three visible bands to determine Chl a concentrations. The algorithm is derived using Sea-viewing Wide Field-of-view Sensor bands, and it is subsequently tuned to be applicable to Moderate Resolution Imaging Spectroradiometer (MODIS)/Aqua data. When compared with large in situ data sets and satellite matchups in a variety of coastal and ocean waters the present algorithm makes good retrievals of the Chl a concentration and shows statistically significant improvement over current global algorithms (e.g., OC3 and OC4v4). An examination of the performance of these algorithms on several MODIS/Aqua images in complex waters of the Arabian Sea and west Florida shelf shows that the new algorithm provides a better means for detecting and differentiating algal blooms from other turbid features, whereas the OC3 algorithm has significant errors although yielding relatively consistent results in clear waters. These findings imply that, provided that an accurate atmospheric correction scheme is available to deal with complex waters, the current MODIS/Aqua, MERIS and OCM data could be extensively used for quantitative and operational monitoring of algal blooms in various regional and global waters.

  17. Strong antenna-enhanced fluorescence of a single light-harvesting complex shows photon anti-bunching

    NARCIS (Netherlands)

    Wientjes, E.; Renger, J.; Curto, A.G.; Cogdell, R.; Hulst, van N.F.

    2014-01-01

    The nature of the highly efficient energy transfer in photosynthetic light-harvesting complexes is a subject of intense research. Unfortunately, the low fluorescence efficiency and limited photostability hampers the study of individual light-harvesting complexes at ambient conditions. Here we

  18. Oil-soluble and water-soluble BTPhens and their europium complexes in octanol/water solutions: interface crossing studied by MD and PMF simulations.

    Science.gov (United States)

    Benay, G; Wipff, G

    2013-01-31

    Bistriazinyl-phenantroline "BTPhen" ligands L display the remarkable feature to complex trivalent lanthanide and actinide ions, with a marked selectivity for the latter. We report on molecular dynamics studies of tetrasubstituted X(4)BTPhens: L(4+) (X = (+)Et(3)NCH(2)-), L(4-) (X = (-)SO(3)Ph-), and L(0) (X = CyMe(4)) and their complexes with Eu(III) in binary octanol/water solutions. Changes in free energies upon interface crossing are also calculated for typical solutes by potential of mean force PMF simulations. The ligands and their complexes partition, as expected, to either the aqueous or the oil phase, depending on the "solubilizing" group X. Furthermore, most of them are found to be surface active. The water-soluble L(4+) and L(4-) ligands and their (L)Eu(NO(3))(3) complexes adsorb at the aqueous side of the interface, more with L(4-) than with L(4+). The oil soluble ligand L(0) is not surface active in its endo-endo form but adsorbs on the oil side of the interface in its most polar endo-exo form, as well as in its protonated L(0)H(+) and complexed (L(0))Eu(NO(3))(3) states. Furthermore, comparing PMFs of the Eu(III) complexes with and without nitric acid shows that acidifying the aqueous phase has different effects, depending on the ligand charge. In particular, acid promotes the Eu(III) extraction by L(0) via the (L(0))(2)Eu(NO(3))(2+) complex, as observed experimentally. Overall, the results point to the importance of interfacial adsorption for the liquid-liquid extraction of trivalent lanthanide and actinide cations by BTPhens and analogues.

  19. Water dynamics in the digestive tract of the freshwater rainbow trout during the processing of a single meal.

    Science.gov (United States)

    Bucking, Carol; Wood, Chris M

    2006-05-01

    The temporal effects of feeding and digestion on chyme composition, specifically water and solid content, and net fluxes across the gastrointestinal tract, as well as plasma parameters, were examined in freshwater rainbow trout. A single meal of commercial dry pellets, incorporating ballotini beads as inert reference markers, was employed. Plasma Na+ levels increased by 15-20% at 2 h post-feeding, where Cl- levels did not change. Plasma osmolality was well regulated despite an initial chyme osmolality (775 mOsm) 2.8-fold higher than that in the blood plasma. Chyme osmolality throughout the gastrointestinal tract remained significantly higher than plasma osmolality for the duration of the 72 h period. Solid material was absorbed along the entire intestinal tract, although not in the stomach, necessitating the incorporation of an inert marker. A similar temporal pattern of transit between the ballotini beads (solid phase marker) and 3[H]-PEG 4000 (fluid phase marker), provided support for the use of ballotini beads. Large additions of water to the chyme were seen in the stomach, the largest occurring within 2 h following feeding (7.1+/-1.4 ml kg(-1)), and amounted to approximately 16 ml kg(-1) over the first 12 h. As the chyme entered the anterior intestine, a further large water secretion (3.5+/-0.5 ml kg(-1)) was seen. Thereafter the water fluxes into the chyme of the anterior intestine decreased steadily over time, but remained positive, whereas the mid-intestine exhibited net absorption of water at all time points, and the posterior intestine demonstrated little water handling at any time. The endogenous water that was secreted into the anterior intestine was absorbed along the tract, which showed a net water flux close to zero. However, assuming that the water secreted into the stomach was endogenous in nature, the processing of a single meal resulted in net loss of endogenous water (0.24 ml kg(-1) h(-1)) to the environment, a beneficial consequence of the

  20. Nonaqueous electrocatalytic water oxidation by a surface-bound Ru(bda)(L)₂ complex.

    Science.gov (United States)

    Sheridan, Matthew V; Sherman, Benjamin D; Wee, Kyung-Ryang; Marquard, Seth L; Gold, Alexander S; Meyer, Thomas J

    2016-04-21

    The rate of electrocatalytic water oxidation by the heterogeneous water oxidation catalyst [Ru(bda)(4-O(CH2)3P(O3H2)2-pyr)2], , (pyr = pyridine; bda = 2,2'-bipyridine-6,6'-dicarboxylate) on metal oxide surfaces is greatly enhanced relative to water as the solvent. In these experiments with propylene carbonate (PC) as the nonaqueous solvent, water is the limiting reagent. Mechanistic studies point to atom proton transfer (APT) as the rate limiting step in water oxidation catalysis.

  1. Analytical methods for determination of free metal ion concentration, labile species fraction and metal complexation capacity of environmental waters: a review.

    Science.gov (United States)

    Pesavento, Maria; Alberti, Giancarla; Biesuz, Raffaela

    2009-01-12

    Different experimental approaches have been suggested in the last few decades to determine metal species in complex matrices of unknown composition as environmental waters. The methods are mainly focused on the determination of single species or groups of species. The more recent developments in trace elements speciation are reviewed focusing on methods for labile and free metal determination. Electrochemical procedures with low detection limit as anodic stripping voltammetry (ASV) and the competing ligand exchange with adsorption cathodic stripping voltammetry (CLE-AdCSV) have been widely employed in metal distribution studies in natural waters. Other electrochemical methods such as stripping chronopotentiometry and AGNES seem to be promising to evaluate the free metal concentration at the low levels of environmental samples. Separation techniques based on ion exchange (IE) and complexing resins (CR), and micro separation methods as the Donnan membrane technique (DMT), diffusive gradients in thin-film gels (DGT) and the permeation liquid membrane (PLM), are among the non-electrochemical methods largely used in this field and reviewed in the text. Under appropriate conditions such techniques make possible the evaluation of free metal ion concentration.

  2. Water quality index for assessment of water quality of river ravi at ...

    African Journals Online (AJOL)

    Water quality of River Ravi, a tributary of Indus River System was evaluated by Water Quality Index (WQI) technique. A water quality index provides a single number that expresses overall water quality at a certain location and time based on several water quality parameters. The objective of an index is to turn complex water ...

  3. Quantification of trace metals in water using complexation and filter concentration.

    Science.gov (United States)

    Dolgin, Bella; Bulatov, Valery; Japarov, Julia; Elish, Eyal; Edri, Elad; Schechter, Israel

    2010-06-15

    Various metals undergo complexation with organic reagents, resulting in colored products. In practice, their molar absorptivities allow for quantification in the ppm range. However, a proper pre-concentration of the colored complex on paper filter lowers the quantification limit to the low ppb range. In this study, several pre-concentration techniques have been examined and compared: filtering the already complexed mixture, complexation on filter, and dipping of dye-covered filter in solution. The best quantification has been based on the ratio of filter reflectance at a certain wavelength to that at zero metal concentration. The studied complex formations (Ni ions with TAN and Cd ions with PAN) involve production of nanoparticle suspensions, which are associated with complicated kinetics. The kinetics of the complexation of Ni ions with TAN has been investigated and optimum timing could be found. Kinetic optimization in regard to some interferences has also been suggested.

  4. Transition Metal Complexes Coordinated by Water Soluble Phosphane Ligands: How Cyclodextrins Can Alter the Coordination Sphere?

    Directory of Open Access Journals (Sweden)

    Michel Ferreira

    2017-01-01

    Full Text Available The behaviour of platinum(II and palladium(0 complexes coordinated by various hydrosoluble monodentate phosphane ligands has been investigated by 31P{1H} NMR spectroscopy in the presence of randomly methylated β-cyclodextrin (RAME-β-CD. This molecular receptor can have no impact on the organometallic complexes, induce the formation of phosphane low-coordinated complexes or form coordination second sphere species. These three behaviours are under thermodynamic control and are governed not only by the affinity of RAME-β-CD for the phosphane but also by the phosphane stereoelectronic properties. When observed, the low-coordinated complexes may be formed either via a preliminary decoordination of the phosphane followed by a complexation of the free ligand by the CD or via the generation of organometallic species complexed by CD which then lead to expulsion of ligands to decrease their internal steric hindrance.

  5. Whey Peptide-Iron Complexes Increase the Oxidative Stability of Oil-in-Water Emulsions in Comparison to Iron Salts.

    Science.gov (United States)

    Caetano-Silva, Maria Elisa; Barros Mariutti, Lilian Regina; Bragagnolo, Neura; Bertoldo-Pacheco, Maria Teresa; Netto, Flavia Maria

    2018-02-28

    Food fortification with iron may favor lipid oxidation in both food matrices and the human body. This study aimed at evaluating the effect of peptide-iron complexation on lipid oxidation catalyzed by iron, using oil-in-water (O/W) emulsions as a model system. The extent of lipid oxidation of emulsions containing iron salts (FeSO 4 or FeCl 2 ) or iron complexes (peptide-iron complexes or ferrous bisglycinate) was evaluated during 7 days, measured as primary (peroxide value) and secondary products (TBARS and volatile compounds). Both salts catalyzed lipid oxidation, leading to peroxide values 2.6- to 4.6-fold higher than the values found for the peptide-iron complexes. The addition of the peptide-iron complexes resulted in the formation of lower amounts of secondary volatiles of lipid oxidation (up to 78-fold) than those of iron salts, possibly due to the antioxidant activity of the peptides and their capacity to keep iron apart from the lipid phase, since the iron atom is coordinated and takes part in a stable structure. The peptide-iron complexes showed potential to reduce the undesirable sensory changes in food products and to decrease the side effects related to free iron and the lipid damage of cell membranes in the organism, due to the lower reactivity of iron in the complexed form.

  6. The influence of complex compost on the aggregate composition and water and air properties of an ordinary chernozem

    Science.gov (United States)

    Belyuchenko, I. S.; Antonenko, D. A.

    2015-07-01

    The influence of complex compost composed of the waste products of the agriculture (semi-rotted cattle manure and plant residues) and chemical industries (phosphogypsum) on the agrophysical properties of an ordinary chernozem (Haplic Chernozem) was studied in the western Ciscaucasian region. In the field experiment, the compost was applied to the plow layer (0-20 cm) in 2007. In five years, the content of agronomically valuable aggregates increased by 7-9%, and their water stability became higher. This resulted in a better aggregation of the plow layer; its bulk density decreased by about 0.1 g/cm3 in comparison with the control plot treated with mineral fertilizers according to traditional technology. The water and air properties of the soil were optimized, which was seen from an increase in the field and total water capacity, total porosity, and soil water storage.

  7. A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex.

    Science.gov (United States)

    Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li

    2014-02-01

    A tetranuclear Co(III) oxide complex with cubane topology, tetrakis(2,2'-bipyridine-κ(2)N,N')di-μ2-carbonato-κ(4)O:O'-tetra-μ3-oxido-tetracobalt(III) pentadecahydrate, [Co4(CO3)2O4(C10H8N2)4]·15H2O, with an unbounded hydrogen-bonded water layer, has been synthesized by reaction of CoCO3 and 2,2'-bipyridine. The solvent water molecules form a hydrogen-bonded net with tetrameric and pentameric water clusters as subunits. The Co4O4 cubane-like cores are sandwiched between the water layers, which are further stacked into a three-dimensional metallo-supramolecular network.

  8. Remote Sensing of Black Lakes and Using 810 nm Reflectance Peak for Retrieving Water Quality Parameters of Optically Complex Waters

    Directory of Open Access Journals (Sweden)

    Tiit Kutser

    2016-06-01

    Full Text Available Many lakes in boreal and arctic regions have high concentrations of CDOM (coloured dissolved organic matter. Remote sensing of such lakes is complicated due to very low water leaving signals. There are extreme (black lakes where the water reflectance values are negligible in almost entire visible part of spectrum (400–700 nm due to the absorption by CDOM. In these lakes, the only water-leaving signal detectable by remote sensing sensors occurs as two peaks—near 710 nm and 810 nm. The first peak has been widely used in remote sensing of eutrophic waters for more than two decades. We show on the example of field radiometry data collected in Estonian and Swedish lakes that the height of the 810 nm peak can also be used in retrieving water constituents from remote sensing data. This is important especially in black lakes where the height of the 710 nm peak is still affected by CDOM. We have shown that the 810 nm peak can be used also in remote sensing of a wide variety of lakes. The 810 nm peak is caused by combined effect of slight decrease in absorption by water molecules and backscattering from particulate material in the water. Phytoplankton was the dominant particulate material in most of the studied lakes. Therefore, the height of the 810 peak was in good correlation with all proxies of phytoplankton biomass—chlorophyll-a (R2 = 0.77, total suspended matter (R2 = 0.70, and suspended particulate organic matter (R2 = 0.68. There was no correlation between the peak height and the suspended particulate inorganic matter. Satellite sensors with sufficient spatial and radiometric resolution for mapping lake water quality (Landsat 8 OLI and Sentinel-2 MSI were launched recently. In order to test whether these satellites can capture the 810 nm peak we simulated the spectral performance of these two satellites from field radiometry data. Actual satellite imagery from a black lake was also used to study whether these sensors can detect the peak

  9. In vitro and in vivo studies on the complexes of glipizide with water-soluble β-cyclodextrin-epichlorohydrin polymers.

    Science.gov (United States)

    Nie, Shufang; Zhang, Shu; Pan, Weisan; Liu, Yanli

    2011-05-01

    The purpose of this study was to evaluate the potential of a newly modified cyclodextrin derivative, water-soluble β-cyclodextrin-epichlorohydrin polymer (β-CDP), as an effective drug carrier to enhance the dissolution rate and oral bioavailability of glipizide as a poorly water-soluble model drug. Inclusion complexes of glipizide with β-CDP were prepared by the co-evaporation method and characterized by phase solubility, dissolution, and differential scanning calorimetry. The solubility curve was classified as type A(L), which indicated the formation of 1:1 complex between glipizide and β-CDP. β-CDP had better properties of increasing the aqueous solubility of glipizide compared with HP-β-CD. The dissolution rate of drug from the β-CDP complexes was significantly greater than that of the corresponding physical mixtures indicating that the formation of amorphous complex increased the solubility of glipizide. Moreover, the increment in drug dissolution rate from the glipizide/β-CDP systems was higher than that from the corresponding ones with HP-β-CD, which indicated that β-CDP could provide greater capability of solubilization for poorly soluble drugs. Furthermore, in vivo study revealed that the bioavailability of glipizide was significantly improved by glipizide /β-CDP inclusion complex after oral administration to beagle dogs.

  10. Formation of lactoferrin/sodium caseinate complexes and their adsorption behaviour at the air/water interface.

    Science.gov (United States)

    Li, Quanyang; Zhao, Zhengtao

    2017-10-01

    This research investigated the complexation behaviour between lactoferrin (Lf) and sodium caseinate (NaCas) before and after heat treatment. The results showed that heating facilitated their interaction and different complexes were formed at different Lf/NaCas ratios. The presence of low concentrations of NaCas resulted in the rapid precipitation of Lf, while no precipitation was observed at the NaCas concentrations higher than Lf/NaCas ratio of 2:1. The formed complexes at the ratio of 2:1 have an average diameter of 194±9.0nm and they exhibited a great capacity in lowering the air/water interfacial tension. Further increase of NaCas concentration to ratios of 1:1 and 1:2 resulted in the formation of smaller complexes with average diameters of 60±2.5nm. The complexes formed at these two ratios showed similar adsorption behaviour at the air/water interface and they exhibited lower capacity in decreasing the interfacial tension than the ratio of 2:1. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Risk assessment and adaptive runoff utilization in water resource system considering the complex relationship among water supply, electricity generation and environment

    Science.gov (United States)

    Zhou, J.; Zeng, X.; Mo, L.; Chen, L.; Jiang, Z.; Feng, Z.; Yuan, L.; He, Z.

    2017-12-01

    Generally, the adaptive utilization and regulation of runoff in the source region of China's southwest rivers is classified as a typical multi-objective collaborative optimization problem. There are grim competitions and incidence relation in the subsystems of water supply, electricity generation and environment, which leads to a series of complex problems represented by hydrological process variation, blocked electricity output and water environment risk. Mathematically, the difficulties of multi-objective collaborative optimization focus on the description of reciprocal relationships and the establishment of evolving model of adaptive systems. Thus, based on the theory of complex systems science, this project tries to carry out the research from the following aspects: the changing trend of coupled water resource, the covariant factor and driving mechanism, the dynamic evolution law of mutual feedback dynamic process in the supply-generation-environment coupled system, the environmental response and influence mechanism of coupled mutual feedback water resource system, the relationship between leading risk factor and multiple risk based on evolutionary stability and dynamic balance, the transfer mechanism of multiple risk response with the variation of the leading risk factor, the multidimensional coupled feedback system of multiple risk assessment index system and optimized decision theory. Based on the above-mentioned research results, the dynamic method balancing the efficiency of multiple objectives in the coupled feedback system and optimized regulation model of water resources is proposed, and the adaptive scheduling mode considering the internal characteristics and external response of coupled mutual feedback system of water resource is established. In this way, the project can make a contribution to the optimal scheduling theory and methodology of water resource management under uncertainty in the source region of Southwest River.

  12. Retrofitting Domestic Hot Water Heaters for Solar Water Heating Systems in Single-Family Houses in a Cold Climate: A Theoretical Analysis

    Directory of Open Access Journals (Sweden)

    Björn Karlsson

    2012-10-01

    Full Text Available One of the biggest obstacles to economic profitability of solar water heating systems is the investment cost. Retrofitting existing domestic hot water heaters when a new solar hot water system is installed can reduce both the installation and material costs. In this study, retrofitting existing water heaters for solar water heating systems in Swedish single-family houses was theoretically investigated using the TRNSYS software. Four simulation models using forced circulation flow with different system configurations and control strategies were simulated and analysed in the study. A comparison with a standard solar thermal system was also presented based on the annual solar fraction. The simulation results indicate that the retrofitting configuration achieving the highest annual performance consists of a system where the existing tank is used as storage for the solar heat and a smaller tank with a heater is added in series to make sure that the required outlet temperature can be met. An external heat exchanger is used between the collector circuit and the existing tank. For this retrofitted system an annual solar fraction of 50.5% was achieved. A conventional solar thermal system using a standard solar tank achieves a comparable performance for the same total storage volume, collector area and reference conditions.

  13. Organic geochemistry of deep ground waters from the Palo Duro Basin, Texas: implications for radionuclide complexation, ground-water origin, and petroleum exploration

    International Nuclear Information System (INIS)

    Means, J.L.; Hubbard, N.J.

    1985-05-01

    This report describes the organic geochemistry of 11 ground-water samples from the Palo Duro Basin, Texas and discusses the implications of their organic geochemical compositions in terms of radionuclide complexation, ground-water origin, and the petroleum potential of two candidate repository sites in Deaf Smith and Swisher Counties. Short-chain aliphatic acid anions are the principal organic constituents present. Stability constant data and simple chemical equilibria calculations suggest that short-chain aliphatic acids are relatively weak complexing agents. The extent of complexation of a typical actinide by selected inorganic ligands present in these brines is expected to far outweigh actinide complexation by the aliphatic acid anions. Various lines of evidence suggest that some portion of the bromide concentrations in the brines is derived from the same source as the short-chain aliphatic acid anions. When the postulated organic components are subtracted from total bromide concentrations, the origins of the Palo Duro brines, based on chloride versus bromide relationships, appear largely consistent with origins based on isotopic evidence. The short-chain aliphatic acid anion content of the Palo Duro brines is postulated to have been much greater in the geologic past. Aliphatic acid anions are but one of numerous petroleum proximity indicators, which consistently suggest a greater petroleum exploration potential for the area surrounding the Swisher County site than the region encompassing the candidate site in Deaf Smith County. Short-chain aliphatic acid anions appear to provide a useful petroleum exploration tool as long as the complex reactions that may dimish their concentrations in ground water are recognized. 71 refs., 10 figs., 10 tabs

  14. A conceptual framework for addressing complexity and unfolding transition dynamics when developing sustainable adaptation strategies in urban water management

    DEFF Research Database (Denmark)

    Fratini, Chiara; Elle, Morten; Jensen, M. B.

    2012-01-01

    for standardized methods and guidelines to organize transdisciplinary processes where different types of knowledge and perspectives are taken into account. On the basis of the macro-meso-micro pattern inspired by complexity science and transition theory, we developed a conceptual framework to organize processes...... addressing the complexity characterizing urban water management in the context of climate change. In this paper the framework is used to organize a research process aiming at understanding and unfolding urban dynamics for sustainable transition. The final goal is to enable local authorities and utilities...

  15. Quantifying kinematic differences between land and water during squats, split squats, and single-leg squats in a healthy population.

    Science.gov (United States)

    Severin, Anna C; Burkett, Brendan J; McKean, Mark R; Wiegand, Aaron N; Sayers, Mark G L

    2017-01-01

    Aquatic exercises can be used in clinical and sporting disciplines for both rehabilitation and sports training. However, there is limited knowledge on the influence of water immersion on the kinematics of exercises commonly used in rehabilitation and fitness programs. The aim of this study was to use inertial sensors to quantify differences in kinematics and movement variability of bodyweight squats, split squats, and single-leg squats performed on dry land and whilst immersed to the level of the greater trochanter. During two separate testing sessions, 25 active healthy university students (22.3±2.9 yr.) performed ten repetitions of each exercise, whilst tri-axial inertial sensors (100 Hz) recorded their trunk and lower body kinematics. Repeated-measures statistics tested for differences in segment orientation and speed, movement variability, and waveform patterns between environments, while coefficient of variance was used to assess differences in movement variability. Between-environment differences in segment orientation and speed were portrayed by plotting the mean difference ±95% confidence intervals (CI) throughout the tasks. The results showed that the depth of the squat and split squat were unaffected by the changed environment while water immersion allowed for a deeper single leg squat. The different environments had significant effects on the sagittal plane orientations and speeds for all segments. Water immersion increased the degree of movement variability of the segments in all exercises, except for the shank in the frontal plane, which showed more variability on land. Without compromising movement depth, the aquatic environment induces more upright trunk and shank postures during squats and split squats. The aquatic environment allows for increased squat depth during the single-leg squat, and increased shank motions in the frontal plane. Our observations therefore support the use of water-based squat tasks for rehabilitation as they appear to

  16. Quantifying kinematic differences between land and water during squats, split squats, and single-leg squats in a healthy population.

    Directory of Open Access Journals (Sweden)

    Anna C Severin

    Full Text Available Aquatic exercises can be used in clinical and sporting disciplines for both rehabilitation and sports training. However, there is limited knowledge on the influence of water immersion on the kinematics of exercises commonly used in rehabilitation and fitness programs. The aim of this study was to use inertial sensors to quantify differences in kinematics and movement variability of bodyweight squats, split squats, and single-leg squats performed on dry land and whilst immersed to the level of the greater trochanter. During two separate testing sessions, 25 active healthy university students (22.3±2.9 yr. performed ten repetitions of each exercise, whilst tri-axial inertial sensors (100 Hz recorded their trunk and lower body kinematics. Repeated-measures statistics tested for differences in segment orientation and speed, movement variability, and waveform patterns between environments, while coefficient of variance was used to assess differences in movement variability. Between-environment differences in segment orientation and speed were portrayed by plotting the mean difference ±95% confidence intervals (CI throughout the tasks. The results showed that the depth of the squat and split squat were unaffected by the changed environment while water immersion allowed for a deeper single leg squat. The different environments had significant effects on the sagittal plane orientations and speeds for all segments. Water immersion increased the degree of movement variability of the segments in all exercises, except for the shank in the frontal plane, which showed more variability on land. Without compromising movement depth, the aquatic environment induces more upright trunk and shank postures during squats and split squats. The aquatic environment allows for increased squat depth during the single-leg squat, and increased shank motions in the frontal plane. Our observations therefore support the use of water-based squat tasks for rehabilitation as

  17. Dichloro (bis[diphenylthiourea] cadmium complex as a precursor for HDA-capped CdS nanoparticles and their solubility in water

    Directory of Open Access Journals (Sweden)

    Tshinyadzo R. Tshikhudo

    2010-07-01

    Full Text Available A single-source precursor route has been explored by using the diphenylthiourea cadmium complex as the source of cadmium sulphide (CdS nanoparticles. The reaction was carried out using hexadecylamine (HDA as the solvent and stabilising agent for the particles. The phenylthiourea complex was synthesised and characterised by means of a combination of spectroscopic techniques, microanalysis and X-ray crystal structural analysis. The diphenylthiourea complex was thermolysed in HDA at 120 °C for 1 h to produce CdS nanoparticles. The CdS nanoparticles prepared were made water-soluble via a ligand exchange reaction involving the use of pyridine to displace HDA. The pyridine was, in turn, replaced by glucose and glucuronic acid. The absorption and emission spectra showed the typical features of quantum confinement for the nanoparticles for both HDA-capped and glucose- or glucuronic acid-capped CdS nanoparticles. The change in the capping groups, from HDA to glucose and glucuronic acid, resulted in absorption and emission features that were almost similar, with only slight red-shifting and tailing.

  18. Parameterization of light absorption by components of seawater in optically complex coastal waters of the Crimea Peninsula (Black Sea).

    Science.gov (United States)

    Dmitriev, Egor V; Khomenko, Georges; Chami, Malik; Sokolov, Anton A; Churilova, Tatyana Y; Korotaev, Gennady K

    2009-03-01

    The absorption of sunlight by oceanic constituents significantly contributes to the spectral distribution of the water-leaving radiance. Here it is shown that current parameterizations of absorption coefficients do not apply to the optically complex waters of the Crimea Peninsula. Based on in situ measurements, parameterizations of phytoplankton, nonalgal, and total particulate absorption coefficients are proposed. Their performance is evaluated using a log-log regression combined with a low-pass filter and the nonlinear least-square method. Statistical significance of the estimated parameters is verified using the bootstrap method. The parameterizations are relevant for chlorophyll a concentrations ranging from 0.45 up to 2 mg/m(3).

  19. Increased water resistance of paper treated with amylose-fatty ammonium salt inclusion complexes

    Science.gov (United States)

    Amylose inclusion complexes were prepared from high amylose corn starch and the HCl salts of hexadecylamine and octadecylamine. Solutions of the complexes were applied to paper at concentrations of 2-4%. After the treated papers were dried, sodium hydroxide solution was applied to convert the adsorb...

  20. Groundwater Modeling in Support of Water Resources Management and Planning under Complex Climate, Regulatory, and Economic Stresses

    Directory of Open Access Journals (Sweden)

    Emin C. Dogrul

    2016-12-01

    Full Text Available Groundwater is an important resource that meets part or all of the water demand in many developed basins. Since it is an integral part of the hydrologic cycle, management of groundwater resources must consider not only the management of surface flows but also the variability in climate. In addition, agricultural and urban activities both affect the availability of water resources and are affected by it. Arguably, the Central Valley of the State of California, USA, can be considered a basin where all stresses that can possibly affect the management of groundwater resources seem to have come together: a vibrant economy that depends on water, a relatively dry climate, a disparity between water demand and availability both in time and space, heavily managed stream flows that are susceptible to water quality issues and sea level rise, degradation of aquifer conditions due to over-pumping, and degradation of the environment with multiple species becoming endangered. Over the past fifteen years, the California Department of Water Resources has developed and maintained the Integrated Water Flow Model (IWFM to aid in groundwater management and planning under complex, and often competing, requirements. This paper will describe features of IWFM as a generic modeling tool, and showcase several of its innovative applications within California.

  1. On the complex non-linear interaction between bacteria and redox dynamics in sediments and its effects on water quality

    Science.gov (United States)

    Sanchez-Vila, X.; Rubol, S.; Fernandez-Garcia, D.

    2011-12-01

    Despite the fact that the prognoses on the availability of resources related to different climate scenarios have been already formulated, the complex hydrological and biogeochemical reactions taking place in different compartments in natural environmental media are poorly understood, especially regarding the interactions between water bodies, and the reactions taking place at soil-water interfaces. Amongst them, the inter-relationship between hydrology, chemistry and biology has important implications in natural (rivers, lakes) and man-made water facilities (lagoons, artificial recharge pounds, reservoirs, slow infiltration systems, etc). The consequences involve environment, economic, social and health-risk aspects. At the current stage, only limited explanations are available to understand the implications of these relationships on ecosystem services, water quality and water quantity. Therefore, there is an urgent need to seek a full understanding of these physical-biogeochemical processes in water-bodies, sediments and biota and its implications in ecological and health risk. We present a soil column experiment and a mathematical model which aim to study the mutual interplay between water and bacteria activity in porous media, the corresponding dynamics and the feedback on nutrient cycling by using a multidisciplinary approach.

  2. Three Cyanide-Bridged One-Dimensional Single Chain Co"I"I"I-Mn"I"I Complexes: Rational Design, Synthesis, Crystal Structures and Magnetic Properties

    International Nuclear Information System (INIS)

    Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Chen, Xia

    2012-01-01

    Two pyridinecarboxamide dicyanidecobalt(III) building blocks and two mononuclear seven-coordinated macrocycle manganese(II) compounds have been rationally selected to assemble cyanide-bridged heterobimetallic complexes, resulting in three cyanide-bridged Co"I"I"I-Mn"I"I complexes. Single X-ray diffraction analysis show that these complexes {[Mn(L"1)][Co(bpb)]}ClO_4·CH_3OH·0.5H_2O (1), {[Mn(L"2)][Co(bpb)]}ClO_4·0.5CH_3OH (2) and {[Mn(L"1)][Cobpmb]}ClO_4·H_2O (3) (L"1 = 3,6-diazaoctane-1,8-diamine, L"2 = 3,6-dioxaoctano-1,8- diamine: bpb"2"- = 1,2-bis(pyridine-2-carboxamido)benzenate, bpmb"2"- = 1,2-bis(pyridine-2-carboxamido)-4- methyl-benzenate) all present predictable one-dimensional single chain structures. The molecular structures of these one-dimensional complexes consists of alternating units of [Mn(L)]"2"+ (L = L"1 or L"2) and [Co(L')(CN)_2]"- (L' = bpb"2"-, or bpmb"2"-), forming a cyanide-bridged cationic polymeric chain with free ClO_4"- as the balance anion. The coordination geometry of manganese(II) ion in the three one-dimensional complexes is a slightly distorted pentagonal-bipyrimidal with two cyanide nitrogen atoms at the trans positions and N_5 or N_3O_2 coordinating mode at the equatorial plane from ligand L"1 or L"2. Investigation over magnetic properties of these complexes reveals that the very weak magnetic coupling between neighboring Mn(II) ions connected by the diamagnetic dicyanidecobalt(III) building block. A best-fit to the magnetic susceptibility of complex 1 leads to the magnetic coupling constants J = .0.084(3) cm"-"1

  3. Instrumentation Suite for Acoustic Propagation Measurements in Complex Shallow Water Environments

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Obtain at-sea measurements to test theoretical and modeling predictions of acoustic propagation in dynamic, inhomogeneous, and nonisotropic shallow water...

  4. Design of a multi-agent hydroeconomic model to simulate a complex human-water system: Early insights from the Jordan Water Project

    Science.gov (United States)

    Yoon, J.; Klassert, C. J. A.; Lachaut, T.; Selby, P. D.; Knox, S.; Gorelick, S.; Rajsekhar, D.; Tilmant, A.; Avisse, N.; Harou, J. J.; Gawel, E.; Klauer, B.; Mustafa, D.; Talozi, S.; Sigel, K.

    2015-12-01

    Our work focuses on development of a multi-agent, hydroeconomic model for purposes of water policy evaluation in Jordan. The model adopts a modular approach, integrating biophysical modules that simulate natural and engineered phenomena with human modules that represent behavior at multiple levels of decision making. The hydrologic modules are developed using spatially-distributed groundwater and surface water models, which are translated into compact simulators for efficient integration into the multi-agent model. For the groundwater model, we adopt a response matrix method approach in which a 3-dimensional MODFLOW model of a complex regional groundwater system is converted into a linear simulator of groundwater response by pre-processing drawdown results from several hundred numerical simulation runs. Surface water models for each major surface water basin in the country are developed in SWAT and similarly translated into simple rainfall-runoff functions for integration with the multi-agent model. The approach balances physically-based, spatially-explicit representation of hydrologic systems with the efficiency required for integration into a complex multi-agent model that is computationally amenable to robust scenario analysis. For the multi-agent model, we explicitly represent human agency at multiple levels of decision making, with agents representing riparian, management, supplier, and water user groups. The agents' decision making models incorporate both rule-based heuristics as well as economic optimization. The model is programmed in Python using Pynsim, a generalizable, open-source object-oriented code framework for modeling network-based water resource systems. The Jordan model is one of the first applications of Pynsim to a real-world water management case study. Preliminary results from a tanker market scenario run through year 2050 are presented in which several salient features of the water system are investigated: competition between urban and

  5. ZnS, CdS and HgS Nanoparticles via Alkyl-Phenyl Dithiocarbamate Complexes as Single Source Precursors

    OpenAIRE

    Onwudiwe, Damian C.; Ajibade, Peter A.

    2011-01-01

    The synthesis of II-VI semiconductor nanoparticles obtained by the thermolysis of certain group 12 metal complexes as precursors is reported. Thermogravimetric analysis of the single source precursors showed sharp decomposition leading to their respective metal sulfides. The structural and optical properties of the prepared nanoparticles were characterized by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) UV-Vis and photoluminescen...

  6. Vibration tests on single heat exchanger tubes in air and static water

    International Nuclear Information System (INIS)

    Collinson, A.E.; Warneford, I.P.

    1978-07-01

    The vibrational characteristics of a 7 span straight tube and a 26 span U-tube have been investigated for the effects of fluid medium (air/water), tube-grid clearance, tube-grid contact force, vibration transmission and scale. Measured frequency response and mode shapes compared favourably with theoretical values, vibration with pin-pin tube support being most readily excited. The frequency reduction on immersion in water corresponded to an added mass equivalent to the liquid displaced mass. Dynamic magnifiers varied in the range 12 to 135 with mean values of 30 to 40 in water and 45 to 60 in air. Principal vibration modes and damping values were reproducible in a half-scale model of a U-tube. (author)

  7. Ab Initio investigation of chloroaqualead (II) complexes as possible corrosion products in Super Critical Water Cooled Reactor (SCWR)

    Energy Technology Data Exchange (ETDEWEB)

    Anzelj, D.; Pye, C.C., E-mail: diki1979@hotmail.com, E-mail: cory.pye@smu.ca [Saint Mary' s University, Halifax, NS (Canada)

    2015-07-01

    One of the undesirable processes hindering development of Generation IV SCWR is the possibility of corrosion of construction material. Formation of corrosion products such as metal-ligand complexes is poorly understood both experimentally and computationally. It is essential to predict and control its water chemistry to ensure sustainability of SCWR. Pressurized and heated solutions are challenging for experimental research; computational method becomes an important research tool. A series of ab initio calculations of chloroaqualead (II) complexes have been performed at HF, MP2 and B3LYP levels of theory with CEP-121G, LANL2DZ, SDD basis sets for Pb and 6-31G*, 6-31+G*, 6-311+G* for water. (author)

  8. Ab Initio investigation of chloroaqualead (II) complexes as possible corrosion products in Super Critical Water Cooled Reactor (SCWR)

    International Nuclear Information System (INIS)

    Anzelj, D.; Pye, C.C.

    2015-01-01

    One of the undesirable processes hindering development of Generation IV SCWR is the possibility of corrosion of construction material. Formation of corrosion products such as metal-ligand complexes is poorly understood both experimentally and computationally. It is essential to predict and control its water chemistry to ensure sustainability of SCWR. Pressurized and heated solutions are challenging for experimental research; computational method becomes an important research tool. A series of ab initio calculations of chloroaqualead (II) complexes have been performed at HF, MP2 and B3LYP levels of theory with CEP-121G, LANL2DZ, SDD basis sets for Pb and 6-31G*, 6-31+G*, 6-311+G* for water. (author)

  9. Assessment of complex water pollution with heavy metals and Pyrethroid pesticides on transcript levels of metallothionein and immune related genes.

    Science.gov (United States)

    Ghazy, Haneen A; Abdel-Razek, Mohamed A S; El Nahas, Abeer F; Mahmoud, Shawky

    2017-09-01

    Alteration of immunological function of an aquatic organism can be used as an indicator for evaluating the direct effect of exposure to pollutants. The aim of this work is to assess the impact of complex water pollution with special reference to Pyrethroid pesticides and heavy metals on mRNA transcript levels of Metallothionine and some immune related genes of Nile tilapia (Oreochromas Niloticus). Residues of six heavy metals and six Pyrethroid were assessed in water as well as fish tissues at three different sites of Lake Burullus, located at Northern Egypt. Variations of water physicochemical properties associated with different levels of heavy metals at the three different sections were recorded. Tissue residues of Fe, Mn and Zn, Cu, Ni exceed water levels in contrast to elevated water level of Pb. All assessed Pyrethroids are detected in fish tissue samples with higher concentration (3-42 folds) than that found in water samples especially Cypermethrin. Significant down-regulation of expression levels of metallothionein (MT) at the three sections of the lake was observed. The expression of immune related genes (IgM) and inflammatory cytokines (TNF, IL.8 and IL.1) were affected. IgM and TNF were significantly down-regulated at eastern and western section of the lake; meanwhile the expression of IL8 is down regulated at the three sections of the lack. IL1 was significantly up-regulated at eastern and middle sections. We conclude that, variable gene expression of MT and immune-related genes at the three sections of the lack impose different response to complex water pollution in relation to variable aquatic environment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Competitive binding affinity of two lanthanum(III) macrocycle complexes toward DNA and bovine serum albumin in water

    Energy Technology Data Exchange (ETDEWEB)

    Asadi, Zahra; Mosallaei, Hamta; Sedaghat, Moslem [Shiraz Univ. (Iran, Islamic Republic of). Dept. of Chemistry; Yousefi, Reza [Shiraz Univ. (Iran, Islamic Republic of). Protein Chemistry Lab. (PCL)

    2017-11-15

    In the present study, two water-soluble lanthanum(III) hexaaza Schiff base complexes were synthesized and characterized and also theoretically investigated. The interactions of these complexes with DNA and bovine serum albumin (BSA) were studied using different spectroscopic assessments and docking simulation analysis. The DNA docking studies suggested that these two complexes are able to interact with DNA through the minor groove, and also the binding affinity is in the order of La(L{sup 1}) > La(L{sup 2}). Furthermore, the spectral titration was carried out and viscosity measurements were taken. In this regard, protein-binding studies revealed that these complexes quench the intrinsic fluorescence of BSA, and indicated that the possible binding site is located on the vicinity of Trp 213, which is further validated by docking simulation analysis. The in vitro anticancer activities of these complexes indicated that the La(L{sup 1}) complex is more effective than the other one and also exhibits a better interaction with DNA.

  11. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  12. Boundary Judgments in Water Governance: Diagnosing Internal and External Factors that Matter in a Complex World

    NARCIS (Netherlands)

    de Loë, Rob C.; Patterson, J.J.

    2018-01-01

    Governance failures are widely recognized as a key reason why, despite sustained attention over previous decades, many longstanding water problems continue to go unsolved around the world. A major challenge in analyzing and addressing water governance problems is making “boundary judgments” in the

  13. Development of a novel method for simultaneous concentration of viruses and protozoa from a single water sample.

    Science.gov (United States)

    Haramoto, Eiji; Katayama, Hiroyuki; Asami, Mari; Akiba, Michihiro

    2012-06-01

    A novel method, electronegative membrane-vortex (EMV) method, was developed for simultaneous concentration of viruses and protozoa from a single water sample. Viruses and protozoa in a water sample were mixed with a cation solution and adsorbed on an electronegative membrane. Concentrated virus and protozoa samples were obtained as supernatant and pellet fractions, respectively, by vigorous vortex mixing of the membrane and centrifugation of the eluted material. The highest recovery efficiencies of model microbes from river water and tap water by this EMV method were obtained using a mixed cellulose ester membrane with a pore size of 0.45 μm (Millipore) as the electronegative membrane and MgCl(2) as the cation solution. The recovery was 27.7-86.5% for poliovirus, 25.7-68.3% for coliphage Qβ, 28.0-60.0% for Cryptosporidium oocysts, and 35.0-53.0% for Giardia cysts. The EMV method detected successfully indigenous viruses and protozoa in wastewater and river water samples from the Kofu basin, Japan, showing an overall positive rate of 100% (43/43) for human adenovirus, 79% (34/43) for norovirus GI, 65% (28/43) for norovirus GII, 23% (10/43) for Cryptosporidium oocysts, and 60% (26/43) for Giardia cysts. By direct DNA sequencing, a total of four genotypes (AI, AII, B, and G) of Giardia intestinalis were identified in the water samples, indicating that the river water was contaminated with feces from various mammals, including humans. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. Low-temperature protein dynamics of the B800 molecules in the LH2 light-harvesting complex: spectral hole burning study and comparison with single photosynthetic complex spectroscopy.

    Science.gov (United States)

    Grozdanov, Daniel; Herascu, Nicoleta; Reinot, Tõnu; Jankowiak, Ryszard; Zazubovich, Valter

    2010-03-18

    Previously published and new spectral hole burning (SHB) data on the B800 band of LH2 light-harvesting antenna complex of Rps. acidophila are analyzed in light of recent single photosynthetic complex spectroscopy (SPCS) results (for a review, see Berlin et al. Phys. Life Rev. 2007, 4, 64.). It is demonstrated that, in general, SHB-related phenomena observed for the B800 band are in qualitative agreement with the SPCS data and the protein models involving multiwell multitier protein energy landscapes. Regarding the quantitative agreement, we argue that the single-molecule behavior associated with the fastest spectral diffusion (smallest barrier) tier of the protein energy landscape is inconsistent with the SHB data. The latter discrepancy can be attributed to SPCS probing not only the dynamics of of the protein complex per se, but also that of the surrounding amorphous host and/or of the host-protein interface. It is argued that SHB (once improved models are developed) should also be able to provide the average magnitudes and probability distributions of light-induced spectral shifts and could be used to determine whether SPCS probes a set of protein complexes that are both intact and statistically relevant. SHB results are consistent with the B800 --> B850 energy-transfer models including consideration of the whole B850 density of states.

  15. A water-soluble, mucoadhesive quaternary ammonium chitosan-methyl-β-cyclodextrin conjugate forming inclusion complexes with dexamethasone.

    Science.gov (United States)

    Piras, Anna Maria; Zambito, Ylenia; Burgalassi, Susi; Monti, Daniela; Tampucci, Silvia; Terreni, Eleonora; Fabiano, Angela; Balzano, Federica; Uccello-Barretta, Gloria; Chetoni, Patrizia

    2018-03-30

    The ocular bioavailability of lipophilic drugs, such as dexamethasone, depends on both drug water solubility and mucoadhesion/permeation. Cyclodextrins and chitosan are frequently employed to either improve drug solubility or prolong drug contact onto mucosae, respectively. Although the covalent conjugation of cyclodextrin and chitosan brings to mucoadhesive drug complexes, their water solubility is restricted to acidic pHs. This paper describes a straightforward grafting of methyl-β-cyclodextrin (MCD) on quaternary ammonium chitosan (QA-Ch60), mediated by hexamethylene diisocyanate. The resulting product is a water-soluble chitosan derivative, having a 10-atom long spacer between the quaternized chitosan and the cyclodextrin. The derivative is capable of complexing the model drug dexamethasone and stable complexes were also observed for the lyophilized products. Furthermore, the conjugate preserves the mucoadhesive properties typical of quaternized chitosan and its safety as solubilizing excipient for ophthalmic applications was preliminary assessed by in vitro cytotoxicity evaluations. Taken as a whole, the observed features appear promising for future processing of the developed product into 3D solid forms, such as controlled drug delivery systems, films or drug eluting medical devices.

  16. A high-throughput 2D-analytical technique to obtain single protein parameters from complex cell lysates for in silico process development of ion exchange chromatography.

    Science.gov (United States)

    Kröner, Frieder; Elsäßer, Dennis; Hubbuch, Jürgen

    2013-11-29

    The accelerating growth of the market for biopharmaceutical proteins, the market entry of biosimilars and the growing interest in new, more complex molecules constantly pose new challenges for bioseparation process development. In the presented work we demonstrate the application of a multidimensional, analytical separation approach to obtain the relevant physicochemical parameters of single proteins in a complex mixture for in silico chromatographic process development. A complete cell lysate containing a low titre target protein was first fractionated by multiple linear salt gradient anion exchange chromatography (AEC) with varying gradient length. The collected fractions were subsequently analysed by high-throughput capillary gel electrophoresis (HT-CGE) after being desalted and concentrated. From the obtained data of the 2D-separation the retention-volumes and the concentration of the single proteins were determined. The retention-volumes of the single proteins were used to calculate the related steric-mass action model parameters. In a final evaluation experiment the received parameters were successfully applied to predict the retention behaviour of the single proteins in salt gradient AEC. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Effect of coolant velocity on the fragmentation of single melt drops in water

    International Nuclear Information System (INIS)

    Cunningham, M.H.; Frost, D.L.

    1997-01-01

    Flash X-ray radiography and high-speed photography are used to investigate the effect of the coolant velocity on the fine fragmentation of molten tin drops in water. A water cannot is used to accelerate the water to a constant speed of up to 30 m/s. The water is accelerated with a double piston arrangement including a foam shock absorber to eliminate the formation of a shock wave. In this way, the effect of coolant velocity on drop breakup is investigated in the absence of the strong shock wave that is present in most earlier studies. The results show that there is a transition from thermal to hydrodynamic fragmentation through an intermediate stage in which the drops initially undergo hydrodynamic fragmentation followed by the formation of a vapour bubble. For low velocities (9 m/s) this bubble collapses, fragmenting the remainder of the drop while at greater velocities (15 m/s) the drop breaks up within the bubble before it condenses. At 22 and 28 m/s there is no vapour formation and the drop fragments due to hydrodynamic effects. Quantitative analysis of the radiographs is used to determine the mass distribution of the melt during the drop fragmentation. Comparison with earlier work in which the ambient flow is preceded by a strong shock wave indicates that the transition from thermal to hydrodynamic breakup is strongly dependent on the characteristics of the pressure field experienced by the drop. (author)

  18. Synthesis, crystal growth and characterization of bioactive material: 2-amino-1H-benzo[d]imidazol-3-ium salicylate single crystal-a proton transfer molecular complex

    Science.gov (United States)

    Fathima, K. Saiadali; Anitha, K.

    2017-05-01

    The 1:1 molecular adducts 2-aminobenzimidazolium salicylate (ABIS) single crystal was synthesized and grown from 2-aminobenzimidazole (ABI) as a donor and salicylic acid (SA) as an acceptor. The cell parameter was determined using single crystal X-Ray diffraction method and the complex ABIS belongs to monoclinic system. The spectroscopic studies showed that ABIS crystal was an ion pair complex. The FTIR and Raman spectra showed that the presence of O-H, C=N, C=O vibration which confirms the proton transfer from SA to ABI. The UV-Vis spectrum exhibited a visible band at 359nm for ABIS due to the salicylate anion of the molecule. Further the antimicrobial activity of ABIS complex against Staphylococcus aureus, klebsiella pneumonia, Pseudomonas eruginos and E.coli pathogens was investigated. So the complex molecule inhibits both Gram positive and Gram negative bacterial. It is found that benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of ABIS crystal.

  19. Evaluation of Hanford Single-Shell Waste Tanks Suspected of Water Intrusion

    International Nuclear Information System (INIS)

    Feero, Amie J.; Washenfelder, Dennis J.; Johnson, Jeremy M.; Schofield, John S.

    2013-01-01

    Intrusions evaluations for twelve single-shell tanks were completed in 2013. The evaluations consisted of remote visual inspections, data analysis, and calculations of estimated intrusion rates. The observation of an intrusion or the preponderance of evidence confirmed that six of the twelve tanks evaluated had intrusions. These tanks were tanks 241-A-103, BX-101, BX-103, BX-110, BY-102, and SX-106

  20. Underground waters management program at Camacari petrochemical complex; Programa de gerenciamento das aguas subterraneas do Polo Petroquimico de Camacari

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Paulo Roberto Penalva dos [Empresa de Protecao Ambiental S.A. (CETREL), Camacari, BA (Brazil); Nobre, Manoel de Melo Maia [Maia Nobre Engenharia Ltda., Maceio, AL (Brazil)

    1996-12-31

    The Camacari Petrochemical Complex, situated in the state of Bahia, is the largest and most important integrated industrial complex in Latin America. With the primary objective of preventing any environmental impact that could be caused by its processes, monitoring the quality of the air and water resources in the vicinity became common practice. In regard to the water resources, since 1992, the industries of the Camacari Complex, under the coordination of CETREL - Empresa de Protecao Ambiental S.A - have conducted an integrated program to monitor, protect and establish rational use of the groundwater resources at the region. This program complies with the conditions established by the Environmental Protection Board of Bahia State (CEPRAM). Several specific goals were already achieved by this program and others still under way. Some of them include: Elimination of most of the primary contaminant sources to groundwater; Evaluation of secondary sources based on plumes behavior and remediation of isolated areas with contaminated saturated and unsaturated zones; Interruption of production wells in the region to prevent contamination of deeper formations; Operations of a pump-and-treat system consisting of 12 extraction wells located down gradient of the Camacari Complex. (author) 7 refs.

  1. Lanthanide and actinide inorganic complexes in natural waters. TRLFS and ESI-MS studies

    Energy Technology Data Exchange (ETDEWEB)

    Vercouter, T.; Amekraz, B.; Moulin, C.; Vitorge, P

    2004-07-01

    Aqueous complexes of M(III) f-element ions with the inorganic ligands CO{sub 3}{sup 2-} and SO{sub 4}{sup 2-} have been investigated using the highly-sensitive speciation techniques TRLFS and ESI-MS. The Eu(CO{sub 3}){sub i}{sup 3-2i} (i=1-3) species have been characterized by TRLFS, and the stoichiometry of the limiting complex Eu(CO{sub 3}){sub 3}{sup 3-} have been confirmed by solubility measurements of NaEu(CO{sub 3}){sub 2}(s) at high ionic strength. Temperature effect on Cm(III) carbonate complexes is evidenced by the TRLFS technique. Investigation on sulphate complexation has been done at various ionic strengths by TRLFS on Eu(III) and by ESI-MS on La(III). New thermodynamic data are obtained by both techniques, which are consistent with literature data. (authors)

  2. Stabilities of thiomolybdate complexes of iron; implications for retention of essential trace elements (Fe, Cu, Mo) in sulfidic waters.

    Science.gov (United States)

    Helz, George R; Erickson, Britt E; Vorlicek, Trent P

    2014-06-01

    In aquatic ecosystems, availabilities of Fe, Mo and Cu potentially limit rates of critical biological processes, including nitrogen fixation, nitrate assimilation and N2O decomposition. During long periods in Earth's history when large parts of the ocean were sulfidic, what prevented these elements' quantitative loss from marine habitats as insoluble sulfide phases? They must have been retained by formation of soluble complexes. Identities of the key ligands are poorly known but probably include thioanions. Here, the first determinations of stability constants for Fe(2+)-[MoS4](2-) complexes in aqueous solution are reported based on measurements of pyrrhotite (hexagonal FeS) solubility under mildly alkaline conditions. Two linear complexes, [FeO(OH)MoS4](3-) and [(Fe2S2)(MoS4)2](4-), best explain the observed solubility variations. Complexes that would be consistent with cuboid cluster structures were less successful, implying that such clusters probably are minor or absent in aqueous solution under the conditions studied. The new data, together with prior data on stabilities of Cu(+)-[MoS4](2-) complexes, are used to explore computationally how competition of Fe(2+) and Cu(+) for [MoS4](2-), as well as competition of [MoS4](2-) and HS(-) for both metals would be resolved in solutions representative of sulfidic natural waters. Thiomolybdate complexes will be most important at sulfide concentrations near the [MoO4](2-)-[MoS4](2-) equivalence point. At lower sulfide concentrations, thiomolybdates are insufficiently stable to be competitive ligands in natural waters and at higher sulfide concentrations HS(-) ligands out-compete thiomolybdates.

  3. Lanthanide Single-Molecule Magnets Framed by Alkali Metals & Magnetic and Spectroscopic Studies of 3d Transition Metal Complexes

    DEFF Research Database (Denmark)

    Konstantatos, Andreas

    -molecule magnets (SMMs). Starting from the archetype SMM Mn12 we present the details of the mechanisms governing the relaxation of the magnetization of these systems. In Chapter 2 we present our work on the coordination chemistry of lanthanides with a new Schiff-base ligand, H3L [(E)-3-((2-hydroxyphenyl...... complexes of M3+ or M2+ metal ions (M: 3d transition metal) with the preference to either approximate octahedral or trigonal prismatic coordination geometry. A detailed magnetic characterization for most of the complexes is presented where a trinuclear Co2+ cluster stands out for its pronounced SMM...

  4. Complexity in the validation of ground-water travel time in fractured flow and transport systems

    International Nuclear Information System (INIS)

    Davies, P.B; Hunter, R.L.; Pickens, J.F.

    1991-02-01

    Ground-water travel time is a widely used concept in site assessment for radioactive waste disposal. While ground-water travel time was originally conceived to provide a simple performance measure for evaluating repository sites, its definition in many flow and transport environments is ambiguous. The US Department of Energy siting guidelines (10 CFR 960) define ground-water travel time as the time required for a unit volume of water to travel between two locations, calculated by dividing travel-path length by the quotient of average ground-water flux and effective porosity. Defining a meaningful effective porosity in a fractured porous material is a significant problem. Although the Waste Isolation Pilot Plant (WIPP) is not subject to specific requirements for ground-water travel time, travel times have been computed under a variety of model assumptions. Recently completed model analyses for WIPP illustrate the difficulties in applying a ground-water travel-time performance measure to flow and transport in fractured, fully saturated flow systems. 12 refs., 4 figs

  5. Improved water resource management for a highly complex environment using three-dimensional groundwater modelling

    Science.gov (United States)

    Moeck, Christian; Affolter, Annette; Radny, Dirk; Dressmann, Horst; Auckenthaler, Adrian; Huggenberger, Peter; Schirmer, Mario

    2018-02-01

    A three-dimensional groundwater model was used to improve water resource management for a study area in north-west Switzerland, where drinking-water production is close to former landfills and industrial areas. To avoid drinking-water contamination, artificial groundwater recharge with surface water is used to create a hydraulic barrier between the contaminated sites and drinking-water extraction wells. The model was used for simulating existing and proposed water management strategies as a tool to ensure the utmost security for drinking water. A systematic evaluation of the flow direction between existing observation points using a developed three-point estimation method for a large number of scenarios was carried out. It is demonstrated that systematically applying the developed methodology helps to identify vulnerable locations which are sensitive to changing boundary conditions such as those arising from changes to artificial groundwater recharge rates. At these locations, additional investigations and protection are required. The presented integrated approach, using the groundwater flow direction between observation points, can be easily transferred to a variety of hydrological settings to systematically evaluate groundwater modelling scenarios.

  6. Bioluminescence in a complex coastal environment: 1. Temporal dynamics of nighttime water-leaving radiance

    Science.gov (United States)

    Moline, Mark A.; Oliver, Matthew J.; Mobley, Curtis D.; Sundman, Lydia; Bensky, Thomas; Bergmann, Trisha; Bissett, W. Paul; Case, James; Raymond, Erika H.; Schofield, Oscar M. E.

    2007-11-01

    Nighttime water-leaving radiance is a function of the depth-dependent distribution of both the in situ bioluminescence emissions and the absorption and scattering properties of the water. The vertical distributions of these parameters were used as inputs for a modified one-dimensional radiative transfer model to solve for spectral bioluminescence water-leaving radiance from prescribed depths of the water column. Variation in the water-leaving radiance was consistent with local episodic physical forcing events, with tidal forcing, terrestrial runoff, particulate accumulation, and biological responses influencing the shorter timescale dynamics. There was a >90 nm shift in the peak water-leaving radiance from blue (˜474 nm) to green as light propagated to the surface. In addition to clues in ecosystem responses to physical forcing, the temporal dynamics in intensity and spectral quality of water-leaving radiance provide suitable ranges for assessing detection. This may provide the information needed to estimate the depth of internal light sources in the ocean, which is discussed in part 2 of this paper.

  7. Complexity in the validation of ground-water travel time in fractured flow and transport systems

    International Nuclear Information System (INIS)

    Davies, P.B.; Hunter, R.L.; Pickens, J.F.

    1991-01-01

    Ground-water travel time is a widely used concept in site assessment for radioactive waste disposal. While ground-water travel time was originally conceived to provide a simple performance measure for evaluating repository sites, its definition in many flow and transport environments is ambiguous. The U.S. Department of Energy siting guidelines (10 CFR 960) define ground-water travel time as the time required for a unit volume of water to travel between two locations, calculated by dividing travel-path length by the quotient of average ground-water flux and effective porosity. Defining a meaningful effective porosity in a fractured porous material is a significant problem. Although the Waste Isolation Pilot Plant (WIPP) is not subject to specific requirements for ground-water travel time, travel times have been computed under a variety of model assumptions. Recently completed model analyses for WIPP illustrate the difficulties in applying a ground-water travel-time performance measure to flow and transport in fractured, fully saturated flow systems. Computer code used: SWIFT II (flow and transport code). 4 figs., 12 refs

  8. The action of chemical and mechanical stresses on single and dual species biofilm removal of drinking water bacteria.

    Science.gov (United States)

    Gomes, I B; Lemos, M; Mathieu, L; Simões, M; Simões, L C

    2018-08-01

    The presence of biofilms in drinking water distribution systems (DWDS) is a global public health concern as they can harbor pathogenic microorganisms. Sodium hypochlorite (NaOCl) is the most commonly used disinfectant for microbial growth control in DWDS. However, its effect on biofilm removal is still unclear. This work aims to evaluate the effects of the combination of chemical (NaOCl) and mechanical stresses on the removal of single and dual species biofilms of two bacteria isolated from DWDS and considered opportunistic, Acinectobacter calcoaceticus and Stenotrophomonas maltophilia. A rotating cylinder reactor was successfully used for the first time in drinking water biofilm studies with polyvinyl chloride as substratum. The single and dual species biofilms presented different characteristics in terms of metabolic activity, mass, density, thickness and content of proteins and polysaccharides. Their complete removal was not achieved even when a high NaOCl concentrations and an increasing series of shear stresses (from 2 to 23Pa) were applied. In general, NaOCl pre-treatment did not improve the impact of mechanical stress on biofilm removal. Dual species biofilms were colonized mostly by S. maltophilia and were more susceptible to chemical and mechanical stresses than these single species. The most efficient treatment (93% biofilm removal) was the combination of NaOCl at 175mg·l -1 with mechanical stress against dual species biofilms. Of concern was the high tolerance of S. maltophilia to chemical and mechanical stresses in both single and dual species biofilms. The overall results demonstrate the inefficacy of NaOCl on biofilm removal even when combined with high shear stresses. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. A conceptual framework for addressing complexity and unfolding transition dynamics when developing sustainable adaptation strategies in urban water management.

    Science.gov (United States)

    Fratini, C F; Elle, M; Jensen, M B; Mikkelsen, P S

    2012-01-01

    To achieve a successful and sustainable adaptation to climate change we need to transform the way we think about change. Much water management research has focused on technical innovation with a range of new solutions developed to achieve a 'more sustainable and integrated urban water management cycle'. But Danish municipalities and utility companies are struggling to bring such solutions into practice. 'Green infrastructure', for example, requires the consideration of a larger range of aspects related to the urban context than the traditional urban water system optimization. There is the need for standardized methods and guidelines to organize transdisciplinary processes where different types of knowledge and perspectives are taken into account. On the basis of the macro-meso-micro pattern inspired by complexity science and transition theory, we developed a conceptual framework to organize processes addressing the complexity characterizing urban water management in the context of climate change. In this paper the framework is used to organize a research process aiming at understanding and unfolding urban dynamics for sustainable transition. The final goal is to enable local authorities and utilities to create the basis for managing and catalysing the technical and organizational innovation necessary for a sustainable transition towards climate change adaptation in urban areas.

  10. Evaluation of Ignalina NPP waste waters toxicity by use of biotest complex

    International Nuclear Information System (INIS)

    Marchiulioniene, D.

    1995-01-01

    The impact of lake Drukshiai various biotop waters and bottom sediments on test-organisms Tradescantia higher plants, as well as trout Salmo gairdneri spawn and larvae was investigated in 1988 - 1994. It was determined that toxic matters, heavy metals and radionuclides among them, discharge into lake Drukshiai with Ignalina NPP waste waters. They accumulate in components of ecosystem, especially in bottom sediments. The gradual increase of toxic impact caused by water and bottom sediments is observed in the investigated lake biotops. The highest toxity levels were in 1993. Maximal toxity is caused by chemical matters. (author). 11 refs., 4 tabs., 3 figs

  11. The role of the substrate surface morphology and water in growth of vertically aligned single-walled carbon nanotubes.

    Science.gov (United States)

    Pint, Cary; Pheasant, Sean; Nicholas, Nolan; Horton, Charles; Hauge, Robert

    2008-11-01

    Growth of high quality, vertically aligned single-walled carbon nanotubes (carpets) is achieved using a rapid insertion hot filament chemical vapor deposition (HF-CVD) technique. The effect of the substrate morphology on growth is explored by comparing carpets grown on epitaxially polished MgO substrates to those grown on "as-cut", macroscopically rough MgO substrates. Depending on the substrate morphology, we observe differences in both the overall carpet morphology as well as the diameter distribution of nanotubes grown in the carpet based on optical measurements. In addition, we explore the role of water in the growth of carpets on MgO and the conventional Al2O3 coated Si substrates. We find that the addition of a small amount of water is beneficial to the growth rates of the SWNT carpets, enhancing the growth rates by up to eight times.

  12. Density functional theory study on aqueous aluminum-fluoride complexes: exploration of the intrinsic relationship between water-exchange rate constants and structural parameters for monomer aluminum complexes.

    Science.gov (United States)

    Jin, Xiaoyan; Qian, Zhaosheng; Lu, Bangmei; Yang, Wenjing; Bi, Shuping

    2011-01-01

    Density functional theory (DFT) calculation is carried out to investigate the structures, (19)F and (27)Al NMR chemical shifts of aqueous Al-F complexes and their water-exchange reactions. The following investigations are performed in this paper: (1) the microscopic properties of typical aqueous Al-F complexes are obtained at the level of B3LYP/6-311+G**. Al-OH(2) bond lengths increase with F(-) replacing inner-sphere H(2)O progressively, indicating labilizing effect of F(-) ligand. The Al-OH(2) distance trans to fluoride is longer than other Al-OH(2) distance, accounting for trans effect of F(-) ligand. (19)F and (27)Al NMR chemical shifts are calculated using GIAO method at the HF/6-311+G** level relative to F(H(2)O)(6)(-) and Al(H(2)O)(6)(3+) references, respectively. The results are consistent with available experimental values; (2) the dissociative (D) activated mechanism is observed by modeling water-exchange reaction for [Al(H(2)O)(6-i)F(i)]((3-i)+) (i = 1-4). The activation energy barriers are found to decrease with increasing F(-) substitution, which is in line with experimental rate constants (k(ex)). The log k(ex) of AlF(3)(H(2)O)(3)(0) and AlF(4)(H(2)O)(2)(-) are predicted by three ways. The results indicate that the correlation between log k(ex) and Al-O bond length as well as the given transmission coefficient allows experimental rate constants to be predicted, whereas the correlation between log k(ex) and activation free energy is poor; (3) the environmental significance of this work is elucidated by the extension toward three fields, that is, polyaluminum system, monomer Al-organic system and other metal ions system with high charge-to-radius ratio.

  13. Indirect Solar Water Heating in Single-Family, Zero Energy Ready Homes

    Energy Technology Data Exchange (ETDEWEB)

    Aldrich, Robb [Steven Winters Associates, Inc., Norwalk, CT (United States)

    2016-02-01

    In western Massachusetts, an affordable housing developer built a community of 20 homes with the goal of approaching zero energy consumption. In addition to excellent thermal envelopes and photovoltaic systems, the developer installed a solar domestic hot water (SDHW) system on each home. The Consortium for Advanced Residential Buildings (CARB), a U.S. Department of Energy Building America research team, commissioned some of the systems, and CARB was able to monitor detailed performance of one system for 28 months.

  14. Managing the Drivers of Air Flow and Water Vapor Transport in Existing Single Family Homes (Revised)

    Energy Technology Data Exchange (ETDEWEB)

    Cummings, J.; Withers, C.; Martin, E.; Moyer, N.

    2012-10-01

    This document focuses on managing the driving forces which move air and moisture across the building envelope. While other previously published Measure Guidelines focus on elimination of air pathways, the ultimate goal of this Measure Guideline is to manage drivers which cause air flow and water vapor transport across the building envelope (and also within the home), control air infiltration, keep relative humidity (RH) within acceptable limits, avoid combustion safety problems, improve occupant comfort, and reduce house energy use.

  15. Epiphytic diatoms in lotic and lentic waters - diversity and representation of species complexes

    Czech Academy of Sciences Publication Activity Database

    Kollár, J.; Fránková, Markéta; Hašler, P.; Letáková, M.; Poulíčková, A.

    2015-01-01

    Roč. 15, č. 2 (2015), s. 259-271 ISSN 1802-5439 Institutional support: RVO:67985939 Keywords : diatoms * epiphyton * species comlexes * lotic and lentic waters Subject RIV: EF - Botanics Impact factor: 2.026, year: 2015

  16. Use of the Delphi method in resolving complex water resources issues

    Science.gov (United States)

    Taylor, J.G.; Ryder, S.D.

    2003-01-01

    The tri-state river basins, shared by Georgia, Alabama, and Florida, are being modeled by the U.S. Fish and Wildlife Service and the U.S. Army Corps of Engineers to help facilitate agreement in an acrimonious water dispute among these different state governments. Modeling of such basin reservoir operations requires parallel understanding of several river system components: hydropower production, flood control, municipal and industrial water use, navigation, and reservoir fisheries requirements. The Delphi method, using repetitive surveying of experts, was applied to determine fisheries' water and lake-level requirements on 25 reservoirs in these interstate basins. The Delphi technique allowed the needs and requirements of fish populations to be brought into the modeling effort on equal footing with other water supply and demand components. When the subject matter is concisely defined and limited, this technique can rapidly assess expert opinion on any natural resource issue, and even move expert opinion toward greater agreement.

  17. 3-Dimensional Microorifice Fabricated Utilizing Single Undercut Etching Process for Producing Ultrasmall Water and Chitosan Droplets

    Directory of Open Access Journals (Sweden)

    Che-Hsin Lin

    2013-01-01

    Full Text Available This research reports a microfluidic device for producing small droplets via a microorifice and a T-junction structure. The orifice is fabricated using an isotropic undercut etching process of amorphous glass materials. Since the equivalent hydraulic diameter of the produced microorifice can be as small as 1.1 μm, the microdevice can easily produce droplets of the size smaller than 10 μm in diameter. In addition, a permanent hydrophobic coating technique is also applied to modify the main channel to be hydrophobic to enhance the formation of water-based droplets. Experimental results show that the developed microfluidic chip with the ultrasmall orifice can steadily produce water-in-oil droplets with different sizes. Uniform water-in-oil droplets with the size from 60 μm to 6.5 μm in diameter can be formed by adjusting the flow rate ratio of the continuous phase and the disperse phases from 1 to 7. Moreover, curable linear polymer of chitosan droplets with the size smaller than 100 μm can also be successfully produced using the developed microchip device. The microfluidic T-junction with a micro-orifice developed in the present study provides a simple yet efficient way to produce various droplets of different sizes.

  18. Polarized X-ray absorption spectroscopy of single-crystal Mn(V) complexes relevant to the oxygen-evolving complex of photosystem II

    DEFF Research Database (Denmark)

    Yano, Junko; Robblee, John; Pushkar, Yulia

    2007-01-01

    High-valent Mn-oxo species have been suggested to have a catalytically important role in the water splitting reaction which occurs in the Photosystem II membrane protein. In this study, five- and six-coordinate mononuclear Mn(V) compounds were investigated by polarized X-ray absorption spectroscopy...... structure of the metal site was then studied by measuring the polarization dependence of X-ray absorption near-edge spectroscopy (XANES) pre-edge spectra (1s to 3d transition) and comparing with the results of density functional theory (DFT) calculations. The Mn(V)-nitrido compound, in which the manganese......-edge peak. This component was interpreted as a 1s to 3d(xz,yz) transition with 4px,y mixing, due to the displacement of the Mn atom out of the equatorial plane. The XANES results have been correlated to DFT calculations, and the spectra have been simulated using a TD (time-dependent)-DFT approach...

  19. Enhancing load-following and/or spectral shift capability in single-sparger natural circulation boiling water reactors

    International Nuclear Information System (INIS)

    Oosterkamp, W.J.

    1992-01-01

    This patent describes a method for obtaining load-following capability in a coiling water reactor (BWR) wherein housed within a reactor pressure vessel (RPV) is a nuclear core disposed within a shroud having a shroud head and which with the RPV defines an annulus region disposed beneath the nuclear core, an upper steam dome connected to a steam outlet in the RPV, a core upper plenum formed within the shroud head and disposed atop the nuclear core, a chimney mounted atop the shroud head and in fluid communication with the core upper plenum and with a steam separator having a skirt which is in fluid communication with the steam dome, the region outside of the chimney defining a downcomer region, there being a water level established therein under normal operation of the BWR, and the RPV containing a feedwater inlet. It comprises: disposing a single sparger connected to the feedwater inlet above the steam separator skirt bottom about the interior circumference of the RPV at an elevation at approximately the water level established during normal operation of the BWR; and adjusting the feedwater flow through the inlet and into the sparger to vary the water level to be above, at or below the elevational location of the sparger in response to load-following need

  20. In vitro bioassays to evaluate complex chemical mixtures in recycled water

    Science.gov (United States)

    Jia, Ai; Escher, Beate I.; Leusch, Frederic D.L.; Tang, Janet Y.M.; Prochazka, Erik; Dong, Bingfeng; Snyder, Erin M.; Snyder, Shane A.

    2016-01-01

    With burgeoning population and diminishing availability of freshwater resources, the world continues to expand the use of alternative water resources for drinking, and the quality of these sources has been a great concern for the public as well as public health professionals. In vitro bioassays are increasingly being used to enable rapid, relatively inexpensive toxicity screening that can be used in conjunction with analytical chemistry data to evaluate water quality and the effectiveness of water treatment. In this study, a comprehensive bioassay battery consisting of 36 bioassays covering 18 biological endpoints was applied to screen the bioactivity of waters of varying qualities with parallel treatments. Samples include wastewater effluent, ultraviolet light (UV) and/or ozone advanced oxidation processed (AOP) recycled water, and infiltrated recycled groundwater. Based on assay sensitivity and detection frequency in the samples, several endpoints were highlighted in the battery, including assays for genotoxicity, mutagenicity, estrogenic activity, glucocorticoid activity, aryl hydrocarbon receptor activity, oxidative stress response, and cytotoxicity. Attenuation of bioactivity was found to be dependent on the treatment process and bioassay endpoint. For instance, ozone technology significantly removed oxidative stress activity, while UV based technologies were most efficient for the attenuation of glucocorticoid activity. Chlorination partially attenuated genotoxicity and greatly decreased herbicidal activity, while groundwater infiltration efficiently attenuated most of the evaluated bioactivity with the exception of genotoxicity. In some cases, bioactivity (e.g., mutagenicity, genotoxicity, and arylhydrocarbon receptor) increased following water treatment, indicating that transformation products of water treatment may be a concern. Furthermore, several types of bioassays with the same endpoint were compared in this study, which could help guide the selection

  1. In vitro bioassays to evaluate complex chemical mixtures in recycled water.

    Science.gov (United States)

    Jia, Ai; Escher, Beate I; Leusch, Frederic D L; Tang, Janet Y M; Prochazka, Erik; Dong, Bingfeng; Snyder, Erin M; Snyder, Shane A

    2015-09-01

    With burgeoning population and diminishing availability of freshwater resources, the world continues to expand the use of alternative water resources for drinking, and the quality of these sources has been a great concern for the public as well as public health professionals. In vitro bioassays are increasingly being used to enable rapid, relatively inexpensive toxicity screening that can be used in conjunction with analytical chemistry data to evaluate water quality and the effectiveness of water treatment. In this study, a comprehensive bioassay battery consisting of 36 bioassays covering 18 biological endpoints was applied to screen the bioactivity of waters of varying qualities with parallel treatments. Samples include wastewater effluent, ultraviolet light (UV) and/or ozone advanced oxidation processed (AOP) recycled water, and infiltrated recycled groundwater. Based on assay sensitivity and detection frequency in the samples, several endpoints were highlighted in the battery, including assays for genotoxicity, mutagenicity, estrogenic activity, glucocorticoid activity, arylhydrocarbon receptor activity, oxidative stress response, and cytotoxicity. Attenuation of bioactivity was found to be dependent on the treatment process and bioassay endpoint. For instance, ozone technology significantly removed oxidative stress activity, while UV based technologies were most efficient for the attenuation of glucocorticoid activity. Chlorination partially attenuated genotoxicity and greatly decreased herbicidal activity, while groundwater infiltration efficiently attenuated most of the evaluated bioactivity with the exception of genotoxicity. In some cases, bioactivity (e.g., mutagenicity, genotoxicity, and arylhydrocarbon receptor) increased following water treatment, indicating that transformation products of water treatment may be a concern. Furthermore, several types of bioassays with the same endpoint were compared in this study, which could help guide the selection

  2. Classification of Several Optically Complex Waters in China Using in Situ Remote Sensing Reflectance

    Directory of Open Access Journals (Sweden)

    Qian Shen

    2015-11-01

    Full Text Available Determining the dominant optically active substances in water bodies via classification can improve the accuracy of bio-optical and water quality parameters estimated by remote sensing. This study provides four robust centroid sets from in situ remote sensing reflectance (Rrs (λ data presenting typical optical types obtained by plugging different similarity measures into fuzzy c-means (FCM clustering. Four typical types of waters were studied: (1 highly mixed eutrophic waters, with the proportion of absorption of colored dissolved organic matter (CDOM, phytoplankton, and non-living particulate matter at approximately 20%, 20%, and 60% respectively; (2 CDOM-dominated relatively clear waters, with approximately 45% by proportion of CDOM absorption; (3 nonliving solids-dominated waters, with approximately 88% by proportion of absorption of nonliving particulate matter; and (4 cyanobacteria-composed scum. We also simulated spectra from seven ocean color satellite sensors to assess their classification ability. POLarization and Directionality of the Earth's Reflectances (POLDER, Sentinel-2A, and MEdium Resolution Imaging Spectrometer (MERIS were found to perform better than the rest. Further, a classification tree for MERIS, in which the characteristics of Rrs (709/Rrs (681, Rrs (560/Rrs (709, Rrs (560/Rrs (620, and Rrs (709/Rrs (761 are integrated, is also proposed in this paper. The overall accuracy and Kappa coefficient of the proposed classification tree are 76.2% and 0.632, respectively.

  3. Determination of organophosphorus pesticides in water samples by using a new sensitive luminescent probe of Eu (III) complex

    Energy Technology Data Exchange (ETDEWEB)

    Azab, Hassan A., E-mail: azab2@yahoo.com; Anwar, Z.M.; Rizk, M.A.; Khairy, Gasser M.; El-Asfoury, M.H.

    2015-01-15

    This work describes the application of fluorescence for investigating the interactions of Eu(III)-TAN-1,10 phenanthroline (where TAN=4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione) with pesticides Chlorpyrifos, Malathion, Endosulfan, Heptachlor. The complex was synthesized and characterized by elemental analysis, FTIR, x-ray spectroscopy, solid fluorescence and thermal analysis. The results indicated that the composition of this complex is [Eu(TAN){sub 2}(Phen)(H{sub 2}O){sub 2}]Cl. The luminescence properties of the complex in different solvents and at different pH values have been investigated. The results show that the complex exhibits more efficient luminescence at pH=7.5. The interactions of Eu-complex with different pesticides (Chlorpyrifos, Malathion, Endosulfan, and Heptachlor) in aqueous medium have been investigated by fluorescence measurements. The luminescence intensity of the probe is quenched by Malathion and enhanced by (Endosulfan, Heptachlor, and Chlorpyrifos). Direct methods for the determination of the pesticides under investigation have been developed using the luminescence variations of the probe in solution. The detection limits are 0.47, 1.02, 0.66, 0.64 µmol/L for Chlorpyrifos, Endosulfan, Heptachlor, and Malathion, respectively. The binding constants and thermodynamic parameters of the pesticides with probe were evaluated. The emission quantum yield (QY=0.71) of Eu(III)-complex was determined using tris (2,2'-bipyridyl) dichlororuthenium(II) hexahydrate. A thermodynamic analysis showed that the reaction is spontaneous with negative ΔG. Effect of some relevant interferents on the detection of pesticides has been investigated. The new method was applied to the determination of the pesticides in different types of water samples (tap, river, and waste water). - Highlights: • A new luminescent probe of Eu (III) complex has been developed for sensing some organophosphorus pesticides. • Four guest pesticides Chlorpyrifos, Malathion

  4. Determination of organophosphorus pesticides in water samples by using a new sensitive luminescent probe of Eu (III) complex

    International Nuclear Information System (INIS)

    Azab, Hassan A.; Anwar, Z.M.; Rizk, M.A.; Khairy, Gasser M.; El-Asfoury, M.H.

    2015-01-01

    This work describes the application of fluorescence for investigating the interactions of Eu(III)-TAN-1,10 phenanthroline (where TAN=4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione) with pesticides Chlorpyrifos, Malathion, Endosulfan, Heptachlor. The complex was synthesized and characterized by elemental analysis, FTIR, x-ray spectroscopy, solid fluorescence and thermal analysis. The results indicated that the composition of this complex is [Eu(TAN) 2 (Phen)(H 2 O) 2 ]Cl. The luminescence properties of the complex in different solvents and at different pH values have been investigated. The results show that the complex exhibits more efficient luminescence at pH=7.5. The interactions of Eu-complex with different pesticides (Chlorpyrifos, Malathion, Endosulfan, and Heptachlor) in aqueous medium have been investigated by fluorescence measurements. The luminescence intensity of the probe is quenched by Malathion and enhanced by (Endosulfan, Heptachlor, and Chlorpyrifos). Direct methods for the determination of the pesticides under investigation have been developed using the luminescence variations of the probe in solution. The detection limits are 0.47, 1.02, 0.66, 0.64 µmol/L for Chlorpyrifos, Endosulfan, Heptachlor, and Malathion, respectively. The binding constants and thermodynamic parameters of the pesticides with probe were evaluated. The emission quantum yield (QY=0.71) of Eu(III)-complex was determined using tris (2,2'-bipyridyl) dichlororuthenium(II) hexahydrate. A thermodynamic analysis showed that the reaction is spontaneous with negative ΔG. Effect of some relevant interferents on the detection of pesticides has been investigated. The new method was applied to the determination of the pesticides in different types of water samples (tap, river, and waste water). - Highlights: • A new luminescent probe of Eu (III) complex has been developed for sensing some organophosphorus pesticides. • Four guest pesticides Chlorpyrifos, Malathion, Endosulfan, and

  5. Single-molecule magnetism in three related {Co(III)2Dy(III)2}-acetylacetonate complexes with multiple relaxation mechanisms.

    Science.gov (United States)

    Langley, Stuart K; Chilton, Nicholas F; Moubaraki, Boujemaa; Murray, Keith S

    2013-06-17

    Three new heterometallic complexes with formulas of [Dy(III)2Co(III)2(OMe)2(teaH)2(acac)4(NO3)2] (1), [Dy(III)2Co(III)2(OH)2(teaH)2(acac)4(NO3)2]·4H2O (2), and [Dy(III)2Co(III)2(OMe)2(mdea)2(acac)4(NO3)2] (3) were characterized by single-crystal X-ray diffraction and by dc and ac magnetic susceptibility measurements. All three complexes have an identical "butterfly"-type metallic core that consists of two Dy(III) ions occupying the "body" position and two diamagnetic low-spin Co(III) ions occupying the outer "wing-tips". Each complex displays single-molecule magnet (SMM) behavior in zero applied magnetic field, with thermally activated anisotropy barriers of 27, 28, and 38 K above 7.5 K for 1-3, respectively, as well as observing a temperature-independent mechanism of relaxation below 5 K for 1 and 2 and at 3 K for 3, indicating fast quantum tunneling of magnetization (QTM). A second, faster thermally activated relaxation mechanism may also be active under a zero applied dc field as derived from the Cole-Cole data. Interestingly, these complexes demonstrate further relaxation modes that are strongly dependent upon the application of a static dc magnetic field. Dilution experiments that were performed on 1, in the {Y(III)2Co(III)2} diamagnetic analog, show that the slow magnetic relaxation is of a single-ion origin, but it was found that the neighboring ion also plays an important role in the overall relaxation dynamics.

  6. Detecting gait abnormalities after concussion or mild traumatic brain injury: A systematic review of single-task, dual-task, and complex gait.

    Science.gov (United States)

    Fino, Peter C; Parrington, Lucy; Pitt, Will; Martini, Douglas N; Chesnutt, James C; Chou, Li-Shan; King, Laurie A

    2018-05-01

    While a growing number of studies have investigated the effects of concussion or mild traumatic brain injury (mTBI) on gait, many studies use different experimental paradigms and outcome measures. The path for translating experimental studies for objective clinical assessments of gait is unclear. This review asked 2 questions: 1) is gait abnormal after concussion/mTBI, and 2) what gait paradigms (single-task, dual-task, complex gait) detect abnormalities after concussion. Data sources included MEDLINE/PubMed, Scopus, Web of Science, and Cumulative Index to Nursing and Allied Health Literature (CINAHL) accessed on March 14, 2017. Original research articles reporting gait outcomes in people with concussion or mTBI were included. Studies of moderate, severe, or unspecified TBI, and studies without a comparator were excluded. After screening 233 articles, 38 studies were included and assigned to one or more sections based on the protocol and reported outcomes. Twenty-six articles reported single-task simple gait outcomes, 24 reported dual-task simple gait outcomes, 21 reported single-task complex gait outcomes, and 10 reported dual-task complex gait outcomes. Overall, this review provides evidence for two conclusions: 1) gait is abnormal acutely after concussion/mTBI but generally resolves over time; and 2) the inconsistency of findings, small sample sizes, and small number of studies examining homogenous measures at the same time-period post-concussion highlight the need for replication across independent populations and investigators. Future research should concentrate on dual-task and complex gait tasks, as they showed promise for detecting abnormal locomotor function outside of the acute timeframe. Additionally, studies should provide detailed demographic and clinical characteristics to enable more refined comparisons across studies. Copyright © 2018 Elsevier B.V. All rights reserved.

  7. Effect of ultrasonic waves on the water turbidity during the oxidation of phenol. Formation of (hydro)peroxo complexes.

    Science.gov (United States)

    Villota, Natalia; Lomas, Jose M; Camarero, Luis M

    2017-11-01

    Analysis of the kinetics of aqueous phenol oxidation by a sono-Fenton process reveals that the via involving ortho-substituted intermediates prevails: catechol (25.0%), hydroquinone (7.7%) and resorcinol (0.6%). During the oxidation, water rapidly acquires color that reaches its maximum intensity at the maximum concentration of p-benzoquinone. Turbidity formation occurs at a slower rate. Oxidant dosage determines the nature of the intermediates, being trihydroxylated benzenes (pyrogallol, hydroxyhydroquinone) and muconic acid the main precursors causing turbidity. It is found that the concentration of iron species and ultrasonic waves affects the intensity of the turbidity. The pathway of (hydro)peroxo-iron(II) complexes formation is proposed. Operating with 20.0-27.8mgFe 2+ /kW rates leads to formation of (hydro)peroxo-iron(II) complexes, which induce high turbidity levels. These species would dissociate into ZZ-muconic acid and ferrous ions. Applying relationships around 13.9mgFe 2+ /kW, the formation of (hydro)peroxo-iron(III) complexes would occur, which could react with carboxylic acids (2,5-dioxo-3-hexenedioic acid). That reaction induces turbidity slower. This is due to the organic substrate reacting with two molecules of the (hydro)peroxo complex. Therefore, it is necessary to accelerate the iron regeneration, intensifying the ultrasonic irradiation. Afterwards, this complex would dissociate into maleic acid and ferric ions. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Complex Formation of Selected Radionuclides with Ligands Commonly Found in Ground Water: Low Molecular Organic Acids

    DEFF Research Database (Denmark)

    Jensen, Bror Skytte; Jensen, H.

    1985-01-01

    A general approach to the analysis of potentiometric data on complex formation between cations and polybasic amphoteric acids is described. The method is used for the characterisation of complex formation between Cs+, Sr2+, Co2+, La 3+, and Eu3+ with a α-hydroxy acids, tartaric acid and citric ac......, and with the α-amino acids, aspartic acid and L-cysteine. The cations have been chosen as typical components of reactor waste, and the acids because they are often found as products of microbial activity in pits or wherever organic material decays...

  9. Comparison of antigen-specific T-cell responses of tuberculosis patients using complex or single antigens of Mycobacterium tuberculosis

    DEFF Research Database (Denmark)

    Mustafa, A S; Amoudy, H A; Wiker, H G

    1998-01-01

    GroES, rPstS, rGroEL and rDnaK) antigens of Mycobacterium tuberculosis. The responses of PBMC to these defined antigens were compared with the corresponding results obtained with complex antigens, such as whole-cell M. tuberculosis, M. tuberculosis culture filtrate (MT-CF) and cell wall antigens, as well...... as the vaccine strain, Mycobacterium bovis bacillus Calmette-Guerin (BCG). In addition, M. tuberculosis and MT-CF-induced T-cell lines were tested in the same assays against the panel of purified and complex antigens. The compiled data from PBMC and T-cell lines tested for antigen-induced proliferation and IFN...

  10. CFD analysis of supercritical water flow and heat transfer in single channel with mixing vane

    International Nuclear Information System (INIS)

    Zuo Guoping; Xie Hongyan; Yu Tao

    2012-01-01

    Three-dimensional rectangular channel with the mixing wane in supercritical water reactor is investigated with CFX. The mixing vane elevation influenced on temperature distribution and flow field are simulated in the model. The results showed the mixing vane cause fluid circumferential flow, making flow hot and cold fluids mixed and fluid temperature uniform distribution, effectively improve the fuel rod surface temperature distribution and reduced hot temperature. Among the mixing wing elevation of 15, 30, 45, 50, 60 and 70 angle, the 30 angle is the best case in improving temperature distribution. (authors)

  11. Development of single-well techniques for quantitative ground water studies

    International Nuclear Information System (INIS)

    Bachmat, Y.; Bugayevsky, M.; Mandel, S.; Behrens, H.; Drost, W.; Klotz, D.; Moser, H.

    1984-02-01

    The signle-well pulse technique was modified in such manner that the dispersivity of the ground water bearing strata can be derived from the measured results. An outline of the theoretical fundamentals is followed by solutions to apparative problems, i.e. tracer selection (Br-82, colour), set-up of measuring points, etc.. The method was tested in the laboratory and in a test field. Suitable, quick methods of evaluation were developed and the technical equipment was optimized for routine application. The method was tested in wells in Israel. (HP) [de

  12. Water balance in the complex mountainous terrain of Bhutan and linkages to land use

    Directory of Open Access Journals (Sweden)

    Ugyen Dorji

    2016-09-01

    Study Focus: Located in the Himalayas with elevation ranging 100–7550 m and with an area equivalent to Switzerland, Bhutan has great biodiversity despite its small area. A monsoon-dominated climate causes generally wet summer and dry winter. Bhutan is highly dependent of climatic conditions for its developmental activities. Using multiple regression analysis we have established models to predict the evapotranspiration (ETo and water balance and test the linkage to vegetation and land cover using meteorological data from 70 weather stations across Bhutan. Temperature-based ETo equations were evaluated in reference to the Penman-Monteith (PM method and a calibrated Hargreaves (H equation was used for computing the ETo. New Hydrological Insights for the Region. The calibrated Hargreaves equation gave good estimates of average daily ETo comparable to the PM ETo. The spatial variation in PM ETo is linked to variation in sunshine hours in summer and temperature in other seasons. Seasonal and annual ETo was mainly affected by elevation and latitude, which is linked to temperature and sunshine duration. Precipitation and water balance correlated positively with the Southern Oscillation Index (SOI while ETo correlated negatively. Our models for predicting ETo and water balances performed clearly better than the global CRU gridded data for Bhutan. A positive water balance is found in broadleaf forest areas and small or negative water balance for coniferous forests.

  13. Pressure drop and heat transfer characteristics for single-phase developing flow of water in rectangular microchannels

    International Nuclear Information System (INIS)

    Mirmanto; Kenning, D B R; Lewis, J S; Karayiannis, T G

    2012-01-01

    Experiments were conducted to investigate the pressure drop and heat transfer characteristics of single-phase flow of de-ionized water in single copper microchannels of hydraulic diameters 0.438 mm, 0.561 mm and 0.635 mm. The channel length was 62 mm. The experimental conditions covered a range of mass flux from 500 to 5000 kg/m 2 s in the laminar, transitional and low Reynolds number turbulent regimes. Pressure drop was measured for adiabatic flows with fluid inlet temperatures of 30°C, 60°C and 90°C. In the heat transfer tests, the heat flux ranged from 256 kW/m 2 to 519 kW/m 2 . Friction factors and Nusselt numbers determined from the measurements were higher than for fully-developed conditions, but in reasonable agreement with predictions made using published solutions for hydrodynamically and thermally developing flow. When entrance effects, experimental uncertainties, heat losses, inlet and exit losses, thermal boundary conditions and departure from laminar flow were considered, the results indicate that equations developed for flow and heat transfer in conventional size channels are applicable for water flows in microchannels of these sizes.

  14. Evaluating Complex Mixtures in the Zebrafish Embryo by Reconstituting Field Water Samples: A Metal Pollution Case Study

    Directory of Open Access Journals (Sweden)

    Ellen D. G. Michiels

    2017-03-01

    Full Text Available Accurately assessing the toxicity of complex, environmentally relevant mixtures remains an important challenge in ecotoxicology. The goal was to identify biological effects after exposure to environmental water samples and to determine whether the observed effects could be explained by the waterborne metal mixture found in the samples. Zebrafish embryos were exposed to water samples of five different sites originating from two Flemish (Mol and Olen, Belgium metal contaminated streams: “Scheppelijke Nete” (SN and “Kneutersloop” (K, and a ditch (D, which is the contamination source of SN. Trace metal concentrations, and Na, K, Mg and Ca concentrations were measured using ICP-MS and were used to reconstitute site-specific water samples. We assessed whether the effects that were observed after exposure to environmental samples could be explained by metal mixture toxicity under standardized laboratory conditions. Exposure to “D” or “reconstituted D” water caused 100% mortality. SN and reconstituted SN water caused similar effects on hatching, swim bladder inflation, growth and swimming activity. A canonical discriminant analysis confirmed a high similarity between both exposure scenarios, indicating that the observed toxicity was indeed primarily caused by metals. The applied workflow could be a valuable approach to evaluate mixture toxicity that limits time and costs while maintaining biological relevance.

  15. External and Intraparticle Diffusion of Coumarin 102 with Surfactant in the ODS-silica Gel/water System by Single Microparticle Injection and Confocal Fluorescence Microspectroscopy

    OpenAIRE

    NAKATANI, Kiyoharu; MATSUTA, Emi

    2015-01-01

    The release mechanism of coumarin 102 from a single ODS-silica gel microparticle into the water phase in the presence of Triton X-100 was investigated by confocal fluorescence microspectroscopy combined with the single microparticle injection technique. The release rate significantly depended on the Triton X-100 concentration in the water phase and was not limited by diffusion in the pores of the microparticle. The release rate constant was inversely proportional to the microparticle radius s...

  16. How much can a single webcam tell to the operation of a water system?

    Science.gov (United States)

    Giuliani, Matteo; Castelletti, Andrea; Fedorov, Roman; Fraternali, Piero

    2017-04-01

    Recent advances in environmental monitoring are making a wide range of hydro-meteorological data available with a great potential to enhance understanding, modelling and management of environmental processes. Despite this progress, continuous monitoring of highly spatiotemporal heterogeneous processes is not well established yet, especially in inaccessible sites. In this context, the unprecedented availability of user-generated data on the web might open new opportunities for enhancing real-time monitoring and modeling of environmental systems based on data that are public, low-cost, and spatiotemporally dense. In this work, we focus on snow and contribute a novel crowdsourcing procedure for extracting snow-related information from public web images, either produced by users or generated by touristic webcams. A fully automated process fetches mountain images from multiple sources, identifies the peaks present therein, and estimates virtual snow indexes representing a proxy of the snow-covered area. The operational value of the obtained virtual snow indexes is then assessed for a real-world water-management problem, where we use these indexes for informing the daily control of a regulated lake supplying water for multiple purposes. Numerical results show that such information is effective in extending the anticipation capacity of the lake operations, ultimately improving the system performance. Our procedure has the potential for complementing traditional snow-related information, minimizing costs and efforts for obtaining the virtual snow indexes and, at the same time, maximizing the portability of the procedure to several locations where such public images are available.

  17. Experimental investigation of single small bubble motion in linear shear flow in water

    International Nuclear Information System (INIS)

    Li, Zhongchun; Zhao, Yang; Song, Xiaoming; Yu, Hongxing; Jiang, Shengyao; Ishii, Mamoru

    2016-01-01

    Highlights: • The bubble motion in simple linear shear flow was experimentally investigated. • The bubble trajectories, bubble velocity and drag and lift force were obtained using image process routine. • The bubble trajectory was coupled with a zigzag motion and incline path. • The lift force was kept negative and it decreased when bubble diameter and shear flow magnitude increased. - Abstract: The motion of small bubble in a simple shear flow in water was experimental studied. Stable shear flow with low turbulence level was achieved with curved screen and measured using LDV. The bubbles were captured by high speed camera and the captured images were processed with digital image routine. The bubble was released from a capillary tube. The instantaneous bubble position, bubble velocity and forces were obtained based on the captured parameters. The quasi-steady lift coefficient was determined by the linear fitting of the bubble trajectory of several cycles. The results indicated that the lateral migration was coupled with the zigzag motion of bubble in the present experiment. The bubble migrated to the left side and its quasi-steady lift coefficient was negative. Good repeatable results were observed by measurements of 18 bubbles. The bubble motion in shear flow in water was first experimental studied and negative lift force was observed in the present study condition. The lift coefficient decreased when shear stress magnitude or bubble diameter increased in the present experiment condition.

  18. Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ

    Directory of Open Access Journals (Sweden)

    Raúl García

    2015-06-01

    Full Text Available We describe the synthesis and single-molecule electrical transport properties of a molecular wire containing a π-extended tetrathiafulvalene (exTTF group and its charge-transfer complex with F4TCNQ. We form single-molecule junctions using the in situ break junction technique using a homebuilt scanning tunneling microscope with a range of conductance between 10 G0 down to 10−7 G0. Within this range we do not observe a clear conductance signature of the neutral parent molecule, suggesting either that its conductance is too low or that it does not form a stable junction. Conversely, we do find a clear conductance signature in the experiments carried out on the charge-transfer complex. Due to the fact we expected this species to have a higher conductance than the neutral molecule, we believe this supports the idea that the conductance of the neutral molecule is very low, below our measurement sensitivity. This idea is further supported by theoretical calculations. To the best of our knowledge, these are the first reported single-molecule conductance measurements on a molecular charge-transfer species.

  19. Adaptive ultrasonic imaging with the total focusing method for inspection of complex components immersed in water

    Science.gov (United States)

    Le Jeune, L.; Robert, S.; Dumas, P.; Membre, A.; Prada, C.

    2015-03-01

    In this paper, we propose an ultrasonic adaptive imaging method based on the phased-array technology and the synthetic focusing algorithm Total Focusing Method (TFM). The general principle is to image the surface by applying the TFM algorithm in a semi-infinite water medium. Then, the reconstructed surface is taken into account to make a second TFM image inside the component. In the surface reconstruction step, the TFM algorithm has been optimized to decrease computation time and to limit noise in water. In the second step, the ultrasonic paths through the reconstructed surface are calculated by the Fermat's principle and an iterative algorithm, and the classical TFM is applied to obtain an image inside the component. This paper presents several results of TFM imaging in components of different geometries, and a result obtained with a new technology of probes equipped with a flexible wedge filled with water (manufactured by Imasonic).

  20. Effects of rolling on single-phase water forced convective heat transfer characteristics

    International Nuclear Information System (INIS)

    Guo Yanming; Gao Puzhen; Huang Zhen

    2010-01-01

    A series of single-phase forced circulation tests in a vertical tube with rolling motion were performed in order to investigate effects of rolling motion on thermal-hydraulic characteristics. The amplitudes of the rolling motion in the tests were 10 degree, 15 degree and 20 degree. The rolling periods were 7.5 s, 10 s, 15 s and 20 s. The Reynolds number was from 6000 to 15000. Heat transfer in the test tube is bated by the rolling motion. As the test-bed rolling more acutely, the heat transfer coefficient of the test tube becomes smaller when the mass flow rate in the test tube is a constant. The heat transfer coefficient calculated by the formula which is for stable state doesn't fit very well with that from experiments. At last a formula for calculating heat transfer in rolling motion was introduced. (authors)