Origin of supercharging in electrospray ionization of noncovalent complexes from aqueous solution.

Science.gov (United States)

Sterling, Harry J; Williams, Evan R

2009-10-01

The use of m-nitrobenzyl alcohol (m-NBA) to enhance charging of noncovalent complexes formed by electrospray ionization from aqueous solutions was investigated. Addition of up to 1% m-NBA can result in a significant increase in the average charging of complexes, ranging from approximately 13% for the homo-heptamer of NtrC4-RC (317 kDa; maximum charge state increases from 42+ to 44+) to approximately 49% for myoglobin (17.6 kDa; maximum charge state increases from 9+ to 16+). Charge state distributions of larger complexes obtained from heated solutions to which no m-NBA was added are remarkably similar to those containing small amounts of m-NBA. Dissociation of the complexes through identical channels both upon addition of higher concentrations of m-NBA and heating is observed. These results indicate that the enhanced charging upon addition of m-NBA to aqueous electrospray solutions is a result of droplet heating owing to the high boiling point of m-NBA, which results in a change in the higher-order structure and/or dissociation of the complexes. For monomeric proteins and small complexes, the enhancement of charging is lower for heated aqueous solutions than from solutions with m-NBA because rapid folding of proteins from heated solutions that do not contain m-NBA can occur after the electrospray droplet is formed and is evaporatively cooled.

A new approach to study cadmium complexes with oxalic acid in soil solution.

Science.gov (United States)

Dytrtová, Jana Jaklová; Jakl, Michal; Sestáková, Ivana; Zins, Emilie-Laure; Schröder, Detlef; Navrátil, Tomáš

2011-05-05

This study presents a new analytical approach for the determination of heavy metals complexed to low-molecular-weight-organic acids in soil solutions, which combines the sensitivity of differential pulse anodic stripping voltammetry (DPASV) with the molecular insight gained by electrospray ionization mass spectrometry (ESI-MS). The combination of these analytical methods allows the investigation of such complexes in complex matrixes. On the voltammograms of the soil solutions, in addition to the expected complexes of oxalic acid with cadmium and lead, respectively, also peaks belonging to mixed complexes of cadmium, lead, and oxalic acid (OAH(2)) were observed. In order to verify the possible formation of complexes with OAH(2), aqueous solutions of OAH(2) with traces of Cd(II) were investigated as model systems. Signals corresponding to several distinct molecular complexes between cadmium and oxalic acid were detected in the model solutions using negative-ion ESI-MS, which follow the general formula [Cd(n)(X,Y)((2n+1))](-), where n is the number of cadmium atoms, X=Cl(-), and Y=OAH(-). Some of these complexes were also identified in the ESI mass spectra taken from the soil solutions. Copyright © 2011 Elsevier B.V. All rights reserved.

A new approach to study cadmium complexes with oxalic acid in soil solution

International Nuclear Information System (INIS)

Jaklova Dytrtova, Jana; Jakl, Michal; Sestakova, Ivana; Zins, Emilie-Laure; Schroeder, Detlef; Navratil, Tomas

2011-01-01

This study presents a new analytical approach for the determination of heavy metals complexed to low-molecular-weight-organic acids in soil solutions, which combines the sensitivity of differential pulse anodic stripping voltammetry (DPASV) with the molecular insight gained by electrospray ionization mass spectrometry (ESI-MS). The combination of these analytical methods allows the investigation of such complexes in complex matrixes. On the voltammograms of the soil solutions, in addition to the expected complexes of oxalic acid with cadmium and lead, respectively, also peaks belonging to mixed complexes of cadmium, lead, and oxalic acid (OAH 2 ) were observed. In order to verify the possible formation of complexes with OAH 2 , aqueous solutions of OAH 2 with traces of Cd(II) were investigated as model systems. Signals corresponding to several distinct molecular complexes between cadmium and oxalic acid were detected in the model solutions using negative-ion ESI-MS, which follow the general formula [Cd n (X,Y) (2n+1) ] - , where n is the number of cadmium atoms, X = Cl - , and Y = OAH - . Some of these complexes were also identified in the ESI mass spectra taken from the soil solutions.

A new approach to study cadmium complexes with oxalic acid in soil solution

Energy Technology Data Exchange (ETDEWEB)

Jaklova Dytrtova, Jana, E-mail: dytrtova@uochb.cas.cz [Institute of Organic Chemistry and Biochemistry of the AS CR, v.v.i., Flemingovo namesti 2, 16610 Prague 6 (Czech Republic); Jakl, Michal [Department of Agro-Environmental Chemistry and Plant Nutrition, Faculty of Agrobiology, Food and Natural Resources, Czech University of Life Sciences, Kamycka 129, 16521 Prague - Suchdol (Czech Republic); Sestakova, Ivana [J. Heyrovsky Institute of Physical Chemistry of the AS CR, v.v.i., Dolejskova 3, 182 23 Prague 8 (Czech Republic); Zins, Emilie-Laure; Schroeder, Detlef [Institute of Organic Chemistry and Biochemistry of the AS CR, v.v.i., Flemingovo namesti 2, 16610 Prague 6 (Czech Republic); Navratil, Tomas [J. Heyrovsky Institute of Physical Chemistry of the AS CR, v.v.i., Dolejskova 3, 182 23 Prague 8 (Czech Republic)

2011-05-05

This study presents a new analytical approach for the determination of heavy metals complexed to low-molecular-weight-organic acids in soil solutions, which combines the sensitivity of differential pulse anodic stripping voltammetry (DPASV) with the molecular insight gained by electrospray ionization mass spectrometry (ESI-MS). The combination of these analytical methods allows the investigation of such complexes in complex matrixes. On the voltammograms of the soil solutions, in addition to the expected complexes of oxalic acid with cadmium and lead, respectively, also peaks belonging to mixed complexes of cadmium, lead, and oxalic acid (OAH{sub 2}) were observed. In order to verify the possible formation of complexes with OAH{sub 2}, aqueous solutions of OAH{sub 2} with traces of Cd(II) were investigated as model systems. Signals corresponding to several distinct molecular complexes between cadmium and oxalic acid were detected in the model solutions using negative-ion ESI-MS, which follow the general formula [Cd{sub n}(X,Y){sub (2n+1)}]{sup -}, where n is the number of cadmium atoms, X = Cl{sup -}, and Y = OAH{sup -}. Some of these complexes were also identified in the ESI mass spectra taken from the soil solutions.

Forward osmosis for oily wastewater reclamation: Multi-charged oxalic acid complexes as draw solutes.

Science.gov (United States)

Ge, Qingchun; Amy, Gary Lee; Chung, Tai-Shung

2017-10-01

Forward osmosis (FO) has demonstrated its merits in hybrid FO seawater desalination. However, FO may have a potential for other applications if suitable draw solutes are available. In this study, a series of novel draw solutes based on oxalic acid (OA)-transitional metal complexes are presented. Influential factors of FO performance have been systematically investigated by varying the transitional metals, cations of the complex draw solutes as well as the experimental conditions. Compared to NaCl and other recently synthesized draw solutes, the OA complexes show superior FO performance in terms of high water fluxes up to 27.5 and 89.1 LMH under the respective FO and PRO (pressure retarded osmosis) modes, both with negligible reverse solute fluxes. The features of octahedral geometry, abundant hydrophilic groups and ionic species are crucial for the OA complexes as appropriate draw solutes with satisfactory FO performance. Among the synthesized OA complexes, the ammonium salt of chromic complex (NH 4 -Cr-OA) outperforms others due to the presence of more ionic species in its complex system. NH 4 -Cr-OA also performs better than the typical NaCl draw solute in FO oily wastewater treatment with higher water recovery and negligible reverse fluxes. Dilute solutions of OA complexes have been reconcentrated through membrane distillation (MD) and reused to new round of FO processes. The OA complexes have demonstrated their suitability and superiority as a novel class of draw solutes for the FO process in this study. Copyright © 2017 Elsevier Ltd. All rights reserved.

Spherically symmetric solution and a satisfactory energy-momentum complex

International Nuclear Information System (INIS)

Nashed, G.G.L.

2005-01-01

Mikhail et al. obtained two spherically symmetric solution in Moeller tetrad theory of gravitation. They calculated their energy content and obtained a strange value for the second solution, in spite that the associated metric of these solutions is the same (the Schwarzschild metric). We use another method given bu Gibbons and Hawking to calculate the energy content of these solutions. We also obtained a strange value of energy for the second solution. Studying the requirements of the satisfactory energy-momentum complex given by Moeller we find that the second solution which behaves as 1/√r does not transform as a four-vector under Lorentz transformation

Electrochemical studies of plutonium(IV) complexes in aqueous nitrate solutions

International Nuclear Information System (INIS)

Kim, Seong-Yun; Asakura, Toshihide; Morita, Yasuji

2005-01-01

Electrochemistry has been used to investigate the behavior of plutonium (IV) in 1-7 M HNO 3 solutions. These Pu(IV) complexes were found to be reduced quasi-reversibly to Pu(III) species. The formal redox potentials (E 0 ) for Pu(IV)/Pu(III) couples were determined to be +0.721, +0.712, +0.706, +0.705, +0.704, 0.694, and +0.696 V (vs. Ag/AgCl(SSE)) for Pu(IV) complexes in 1, 2, 3, 4, 5, 6, 7 M HNO 3 solutions, respectively. These results indicate that the reduction product of Pu(IV) is Pu(III), which is considerably stable in HNO 3 solution. (author)

Structure of diphosphine complexes of Co(II) in solutions of organic compounds

International Nuclear Information System (INIS)

Saraev, V.V.; Mandyuk, I.M.; Ratovskii, G.V.; Dmitrieva, T.V.; Shmidt, F.K.

1987-01-01

The structure of the dichloride complexes of cobalt(II) with 1,2-bis(diphenylphosphino)ethane (DPPE) and 1,1-bis(diphenylphosphino)methane (DPPM) in organic solvents has been investigated by ESR and electronic spectroscopy. It has been shown that the low-spin complex Co(DPPE) 2 Cl 2 exists in dichloroethane and ethanol solutions in the form of a trigonal bipyramid. Cobalt dichloride reacts with DPPM to form 1:1 and 1:2 complexes, between which there is an equilibrium in a dichloroethane solution. The equilibrium is displaced under the action of the free diphosphine toward the formation of the 1:2 complex. Elimination of the diphosphine from the coordination sphere of cobalt occurs in an ethanol solution

Contribution to the study of pseudohalides complexes of tervalent, lanthanides and actinides in solution

International Nuclear Information System (INIS)

Cuillerdier, Christine.

1981-10-01

Some complexes formed with halides or pseudohalides (iodide, cyanide, azide and thiocyanate) and tervalent lanthanides and actinides have been studied in solution. Methods like solvent extraction, polarography have been used to measure inner plus outer sphere complexation and spectroscopic methods have been chosen to study inner sphere complexes only. It has been found that inner sphere complexe of americium and neodymium with cyanide exist in aqueous solutions. Tervalent actinides form stronger inner sphere complexes with azide than lanthanide in solution. Thiocyanate complexes appear to be inner sphere and N-bonded [fr

Structure solution of DNA-binding proteins and complexes with ARCIMBOLDO libraries

Energy Technology Data Exchange (ETDEWEB)

Pröpper, Kevin [University of Göttingen, (Germany); Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Meindl, Kathrin; Sammito, Massimo [Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Dittrich, Birger; Sheldrick, George M. [University of Göttingen, (Germany); Pohl, Ehmke, E-mail: ehmke.pohl@durham.ac.uk [Durham University, (United Kingdom); Usón, Isabel, E-mail: ehmke.pohl@durham.ac.uk [Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Institucio Catalana de Recerca i Estudis Avancats (ICREA), (Spain); University of Göttingen, (Germany)

2014-06-01

The structure solution of DNA-binding protein structures and complexes based on the combination of location of DNA-binding protein motif fragments with density modification in a multi-solution frame is described. Protein–DNA interactions play a major role in all aspects of genetic activity within an organism, such as transcription, packaging, rearrangement, replication and repair. The molecular detail of protein–DNA interactions can be best visualized through crystallography, and structures emphasizing insight into the principles of binding and base-sequence recognition are essential to understanding the subtleties of the underlying mechanisms. An increasing number of high-quality DNA-binding protein structure determinations have been witnessed despite the fact that the crystallographic particularities of nucleic acids tend to pose specific challenges to methods primarily developed for proteins. Crystallographic structure solution of protein–DNA complexes therefore remains a challenging area that is in need of optimized experimental and computational methods. The potential of the structure-solution program ARCIMBOLDO for the solution of protein–DNA complexes has therefore been assessed. The method is based on the combination of locating small, very accurate fragments using the program Phaser and density modification with the program SHELXE. Whereas for typical proteins main-chain α-helices provide the ideal, almost ubiquitous, small fragments to start searches, in the case of DNA complexes the binding motifs and DNA double helix constitute suitable search fragments. The aim of this work is to provide an effective library of search fragments as well as to determine the optimal ARCIMBOLDO strategy for the solution of this class of structures.

[Influence of the earthworm Lumbricus terrestris on soil solution complexation capacity].

Science.gov (United States)

el Gharmali, A; Rada, A; el Meray, M; Nejmeddine, A

2001-04-01

Four soil samples highly contaminated with metals of urban and mine origin (SE1, SE2, SM1, SM2) and having different physico-chemical proprieties were selected to study copper complexation capacity (LT) of soil solution. The effect of Lumbricus terrestris on copper complexation capacity of soil solution was investigated on SE1 and SE2. The complexation capacity was estimated by amperometric titration of soil solution by copper. Free hydrated cation and labile complexes of copper were determined by DPASV. The results show that the copper complexation capacity variation depends on the physico-chemical characteristics of soils, particularly pH. Thus, the values of copper complexation capacity are 0; 0.6 x 10(-7); 1.8 x 10(-7) and 5.5 x 10(-7) mol l-1 respectively for SM2; SM1; SE1 and SE2 which are pH 5; 5.4; 6.5 and 7.4. Based on these results, the bioavailability levels of heavy metals show the following pool ranking: SM2 > SM1 > SE1 > SE2. The copper complexation capacity of soil solution increases with the soil disturbance by Lumbricus terrestris. This is more obvious when the time of disturbance by lumbrics is longer. Indeed, average values determined for 1 month and 3 months are 3.8 x 10(-7) and 7.8 x 10(-7) mol l-1 for SE1; 7.7 x 10(-7) and 15.2 x 10(-7) mol l-1 for SE2 respectively. It seems that the action of earthworm on soil can contribute to the decrease of bioavailability of heavy metals, particularly copper.

Exact Solutions of Five Complex Nonlinear Schrödinger Equations by Semi-Inverse Variational Principle

International Nuclear Information System (INIS)

Najafi Mohammad; Arbabi Somayeh

2014-01-01

In this paper, we establish exact solutions for five complex nonlinear Schrödinger equations. The semi-inverse variational principle (SVP) is used to construct exact soliton solutions of five complex nonlinear Schrödinger equations. Many new families of exact soliton solutions of five complex nonlinear Schrödinger equations are successfully obtained. (general)

SUBSTANTIATION OF SOLUTIONS PERTAINING TO COMPLEX PRODUCTION RECONSTRUCTION

Directory of Open Access Journals (Sweden)

V. Y. Gurinovich

2011-01-01

Full Text Available While taking an example of reconstruction and modernization of OJSC «Construction and Mounting Trust No.16, Novopolotsk» the paper substantiates solutions for complex production reconstruction. The production reconstruction is divided in three start-up facilities ensuring continuous finished-product output.

Lanthanide complexation in aqueous solutions

International Nuclear Information System (INIS)

Choppin, G.R.

1984-01-01

The lanthanide elements form an extended series of cations with the same charge, slightly varying radii and useful magnetic and spectroscopic properties. Their use in technology is growing rapidly as their properties are more fully explored. The lanthanides also offer scientists valuable and often unique probes for investigating a variety of chemical and physical phenomena. This review has attempted to call attention to these latter uses without trying to provide a thorough discussion of all the relevant literature. Hopefully, awareness of the more interesting facets of present studies of lanthanide complexes in aqueous solution will spur even more advances in the use of these elements. (Auth.)

Aspects of the structure and solution chemistry of some technetium-tripolyphosphate complexes

International Nuclear Information System (INIS)

Miller, G.G.

1983-01-01

Several distinctly different complexes of Tc(III) and Tc(IV) with the ligand tripolyphosphate were prepared and studied electrochemically. In acidic solution, a transient Tc(III) species was observed, the electrochemical behavior of which proves that it is not monomeric in Tc and strongly suggests that it is a dimer. This material is radically different in its polarographic behavior from the Tc(III) complex resulting from the controlled potential electrolysis of TcO 4 - at a mercury pool cathode in the same electrolyte. The latter, air sensitive, complex can be reversibly oxidized to a Tc(IV) complex which is stable towards further oxidation but which undergoes hydrolysis in both acidic and alkaline media. The rate law for the hydrolysis in basic solution is: rate = 582 I mol -1 min -1 [Tc(IV)][OH - ]. The hydrolytic reaction in acidic solution is accelerated by hydrogen ion, indicating that a mechanism different from that in basic media is involved. Tc(IV) tripolyphosphate complexes prepared by ligand exchange reactions of TcBr 6 2- were shown by polarography to be different from the complexes prepared electrochemically. The gel permeation chromatographic behavior of one ligand substitution product showed it to be polymeric with a limiting tripolyphosphate to technetium ratio of 1:1

Solution of Schroedinger Equation for Two-Dimensional Complex Quartic Potentials

International Nuclear Information System (INIS)

Singh, Ram Mehar; Chand, Fakir; Mishra, S. C.

2009-01-01

We investigate the quasi-exact solutions of the Schroedinger wave equation for two-dimensional non-hermitian complex Hamiltonian systems within the frame work of an extended complex phase space characterized by x = x 1 + ip 3 , y = x 2 + ip 4 , p x = p 1 + ix 3 , p y = p 2 + ix 4 . Explicit expressions of the energy eigenvalues and the eigenfunctions for ground and first excited states for a complex quartic potential are obtained. Eigenvalue spectra of some variants of the complex quartic potential, including PT-symmetric one, are also worked out. (general)

Graphical Representation of Complex Solutions of the Quadratic Equation in the "xy" Plane

Science.gov (United States)

McDonald, Todd

2006-01-01

This paper presents a visual representation of complex solutions of quadratic equations in the xy plane. Rather than moving to the complex plane, students are able to experience a geometric interpretation of the solutions in the xy plane. I am also working on these types of representations with higher order polynomials with some success.

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)

Separation of compounds with multiple -OH groups from dilute aqueous solutions via complexation with organoboronate

Energy Technology Data Exchange (ETDEWEB)

Chow, Tina Kuo Fung [Univ. of California, Berkeley, CA (United States)

1992-05-01

The complexing extractant agent investigated in this work is 3-nitrophenylboronic acid (NPBA) in its anionic form (NPB). NPBA and Aliquat 336 (quaternary amine) is dissolved in 2-ethyl-l-hexanol, and the extractant is contacted with aq. NaOH. Solutes investigated were 1,2-propanediol, glycerol, fructose, sorbitol and lactic acid. Batch extraction experiments were performed at 25°C. Partition coefficients, distribution ratios and loadings are reported for varying concentrations of solute and NPB. All solutes complexed with NPB^-, with all complexes containing only one NPB^- per complex. The 1:1 complexation constants for the solutes glycerol, fructose and sorbitol follow trends similar to complexation with B(OH)₄^- (aq.), i.e. the complexation constants increase with increasing number of -OH groups available for complexation. Assumption of 1:1 complex is not valid for 1, 2-propanediol, which showed overloading (more than one mole of solute complexed to one mole NPB^-) at higher concentrations. The -OH group on the NPB^- which is left uncomplexed after one solute molecule had bound to the other two -OH groups may be responsible for the overloading. Overloading is also observed in extraction of tactic acid, but through a different mechanism. It was found that TOMA⁺ can extract lactic acid to an extent comparable to the uptake of lactic acid by NPB^-. The complexation is probably through formation of an acid-base ion pair. Losses of NPBA into the aqueous phase could lead to problems, poor economics in industrial separation processes. One way of overcoming this problem would be to incorporate the NPBA onto a solid support.

The different-ligand complexing of europium with complexones and β-diketones in micellar solution

International Nuclear Information System (INIS)

Svetlova, I.E.; Dobrynina, N.A.; Smirnova, N.S.; Martynenko, L.I.; Evseev, A.M.; Savitskij, A.P.

1989-01-01

Method of pH-metric titration with mathematical simulation was used to study the effect of nonionic surfactant (polyoxyethyleneoctylphenyl este) on stability of europium complexes with cyclohexanediaminetetraacetic and ethylenediaminetetraacetic acids. Optimal conditions for ternary complex formation in the system Eu 3+ -complexone-β-diketone at pH 7.0-9.0 were found. Complex-compositions were determined and their stability constants were calculated. It is shown that complex stability decreases by several orders in micellar solutions, tecause β-diketone introduction to the solution decreases thermodynamic stability of complexes

Generation of new solutions of the stationary axisymmetric Einstein equations by a double complex function method

International Nuclear Information System (INIS)

Zhong, Z.

1985-01-01

A new approach to the solution of certain differential equations, the double complex function method, is developed, combining ordinary complex numbers and hyperbolic complex numbers. This method is applied to the theory of stationary axisymmetric Einstein equations in general relativity. A family of exact double solutions, double transformation groups, and n-soliton double solutions are obtained

Ammonia complexes of metals in aqueous solutions with high concentrations of ammonia

International Nuclear Information System (INIS)

Padar, T.G.; Novikov, L.K.; Stupko, T.V.; Isaev, I.D.; Pashkov, G.L.; Mironov, V.E.

1991-01-01

Potentiometric method, glass electrodes and Bierrum function were used to study the formation of ammonia complexes of magnesium, calcium, cadmium, zinc, copper(2) and silver in 2.0 mol/dm 3 aqueous solutions of ammonia nitrate with 0-18 mol/dm 3 ammonia concentrations at 25.0 deg C. Step constants of stability of studied complexes were calculated and their compositions were determined with account of nonideal character of aqueous-salt solutions with ammonia concentrations above 1.0 mol/dm 3 . Values of correction effects on salting out ammonia action for Bierrum function in solutions with 1.0-18 mol/dm 3 ammonia concentrations were found

Amodified probabilistic genetic algorithm for the solution of complex constrained optimization problems

OpenAIRE

Vorozheikin, A.; Gonchar, T.; Panfilov, I.; Sopov, E.; Sopov, S.

2009-01-01

A new algorithm for the solution of complex constrained optimization problems based on the probabilistic genetic algorithm with optimal solution prediction is proposed. The efficiency investigation results in comparison with standard genetic algorithm are presented.

Complex formation in aqueous trimethylamine-N-oxide (TMAO) solutions.

Science.gov (United States)

Hunger, Johannes; Tielrooij, Klaas-Jan; Buchner, Richard; Bonn, Mischa; Bakker, Huib J

2012-04-26

We study aqueous solutions of the amphiphilic osmolyte trimethylamine-N-oxide (TMAO) using broadband dielectric spectroscopy and femtosecond mid-infrared spectroscopy. Both experiments provide strong evidence for distinctively slower rotation dynamics for water molecules interacting with the hydrophobic part of the TMAO molecules. Further, water is found to interact more strongly at the hydrophilic site of the TMAO molecules: we find evidence for the formation of stable, TMAO·2H2O and/or TMAO·3H2O complexes. While this coordination structure seems obvious, the lifetime of these complexes is found to be extraordinarily long (>50 ps). The existence of these long-lived complexes leads to pronounced parallel dipole correlations between water and TMAO, reflected in enhanced amplitudes in the dielectric spectra. The strong interaction between water and TMAO also results in a red-shifted band for the O-D stretching vibration of HDO molecules in an isotopically diluted aqueous TMAO solution. This O-D stretching vibration has a vibrational lifetime of 670 fs, which is significantly shorter than the lifetime of the O-D stretch vibration of bulk-like HDO molecules, presumably due to efficient coupling to vibrational modes of TMAO. The rotational dynamics of these O-D groups are slowed down dramatically, and are limited by the rotation of the whole complex, while the O-D vector oriented away from TMAO probably shows an accelerated reorientation.

Spatial structure of transition metal complexes in solution determined by EXAFS spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Erenburg, S.B. E-mail: simon@che.nsk.su; Bausk, N.V.; Zemskova, S.M.; Mazalov, L.N

2000-06-21

CdK EXAFS, ZnK and CuK EXAFS and XANES spectra were measured for solutions of cadmium, zinc and copper dialkyldithiocarbamates in organic solvents with varying donating abilities: tributylphosphine, methylene chloride, benzene, dibutylsulfide, pyridine, dimethylsulfoxide and for some model compounds. The parameters of the local surroundings of the Cd, Zn and Cu atoms for complex forms in solutions were determined using EXAFS spectroscopy. Spatial structure models of the complex forms in a metal chelate - nonaqueous solvent system are suggested.

Spatial structure of transition metal complexes in solution determined by EXAFS spectroscopy

International Nuclear Information System (INIS)

Erenburg, S.B.; Bausk, N.V.; Zemskova, S.M.; Mazalov, L.N.

2000-01-01

CdK EXAFS, ZnK and CuK EXAFS and XANES spectra were measured for solutions of cadmium, zinc and copper dialkyldithiocarbamates in organic solvents with varying donating abilities: tributylphosphine, methylene chloride, benzene, dibutylsulfide, pyridine, dimethylsulfoxide and for some model compounds. The parameters of the local surroundings of the Cd, Zn and Cu atoms for complex forms in solutions were determined using EXAFS spectroscopy. Spatial structure models of the complex forms in a metal chelate - nonaqueous solvent system are suggested

A direct algebraic method applied to obtain complex solutions of some nonlinear partial differential equations

International Nuclear Information System (INIS)

Zhang Huiqun

2009-01-01

By using some exact solutions of an auxiliary ordinary differential equation, a direct algebraic method is described to construct the exact complex solutions for nonlinear partial differential equations. The method is implemented for the NLS equation, a new Hamiltonian amplitude equation, the coupled Schrodinger-KdV equations and the Hirota-Maccari equations. New exact complex solutions are obtained.

Effects of solution pH and complexing reagents on uranium and thorium desorption under saturated equilibrium conditions

International Nuclear Information System (INIS)

Wang, Yug-Yea; Yu, C.

1992-01-01

Three contaminated bulk surface soils were used for investigating the effect of solution pH and complexing reagents on uranium and thorium desorption. At a low solution pH, the major chemical species of uranium and thorium, uranyl UO 2 +2 , thorium dihydroxide Th(OH) 2 +2 , and thorium hydroxide Th(OH) +3 , tend to form complexes with acetates in the solution phase, which increases the fractions of uranium and thorium desorbed into this phase. At a high solution pH, important uranium and thorium species such as uranyl tricarbonate complex UO 2 (CO) 33 -4 and thorium tetrahydroxide complex Th(OH) 4 tend to resist complexation with acetates. The presence of complexing reagents in solution can release radionuclides such as uranium and/or thorium from the soil to the solution by forming soluble complexes. Sodium bicarbonate (NaHCO 3 ) and diethylenetriaminepentaacetic acid (DTPA) are strong complex formers that released 38% to 62% of total uranium activity and 78% to 86% of total thorium activity, respectively, from the soil samples investigated. Solutions of 0.1 molar sodium nitrate (NaNO 3 ) and 0.1 molar sodium sulfate (Na 2 SO 4 ) were not effective complex formers with uranium and thorium under the experimental conditions. Fractions of uranium and thorium desorbed by 0.15g/200ml humic acid ranged from 4.62% to 6.17% and 1.59% to 7.09%, respectively. This work demonstrates the importance of a knowledge of solution chemistry in investigating the desorption of radionuclides

Nuclear inelastic scattering of synchrotron radiation on solutions of 57Fe complexes

International Nuclear Information System (INIS)

Vanko, Gy.; Vertes, A.; Bottyan, L.; Nagy, D.L.; Szilagyi, E.

2000-01-01

Nuclear inelastic resonant scattering of synchrotron radiation was applied to the study solutions of 57 Fe complexes. In order to reveal different inelastic contributions solutions of two different 57 Fe complexes of different molecular dimensions with solvents of substantially different viscosities were studied. We argue that the only former experiment available in the literature overestimates the role of the diffusivity in affecting the spectrum. The first direct observation of an intramolecular vibrational transition assisting the nuclear resonance absorption in a liquid is reported. (author)

Error Estimates for Approximate Solutions of the Riccati Equation with Real or Complex Potentials

Science.gov (United States)

Finster, Felix; Smoller, Joel

2010-09-01

A method is presented for obtaining rigorous error estimates for approximate solutions of the Riccati equation, with real or complex potentials. Our main tool is to derive invariant region estimates for complex solutions of the Riccati equation. We explain the general strategy for applying these estimates and illustrate the method in typical examples, where the approximate solutions are obtained by gluing together WKB and Airy solutions of corresponding one-dimensional Schrödinger equations. Our method is motivated by, and has applications to, the analysis of linear wave equations in the geometry of a rotating black hole.

The problem of complex eigensystems in the semianalytical solution for advancement of time in solute transport simulations: a new method using real arithmetic

Science.gov (United States)

Umari, Amjad M.J.; Gorelick, Steven M.

1986-01-01

In the numerical modeling of groundwater solute transport, explicit solutions may be obtained for the concentration field at any future time without computing concentrations at intermediate times. The spatial variables are discretized and time is left continuous in the governing differential equation. These semianalytical solutions have been presented in the literature and involve the eigensystem of a coefficient matrix. This eigensystem may be complex (i.e., have imaginary components) due to the asymmetry created by the advection term in the governing advection-dispersion equation. Previous investigators have either used complex arithmetic to represent a complex eigensystem or chosen large dispersivity values for which the imaginary components of the complex eigenvalues may be ignored without significant error. It is shown here that the error due to ignoring the imaginary components of complex eigenvalues is large for small dispersivity values. A new algorithm that represents the complex eigensystem by converting it to a real eigensystem is presented. The method requires only real arithmetic.

The first example of intensive luminescence of LMCT state based on metal complexes in solution

International Nuclear Information System (INIS)

Lukova, G.V.; Vasil'ev, V.P.; Smirnov, V.A.; Huhn, W.

2007-01-01

A bridge complex rac-C 6 H 10 (IndH 4 ) 2 ZrC 2 , featuring a unique long-living luminescence in liquid solutions at 20 deg C, has been prepared for the first time by catalytic hydrogenation of bis-indinyl complex C 6 H 10 (Ind) 2 Zr 2 Cl 2 . It has been identified that quantum yields of luminescence of the complex solutions at room temperature are the greatest ones for the known compounds possessing emission states of charge transfer from ligand to metal. Linear correlations of quantum yield of metal complex luminescence in a solution with steric features of the solvent molecules have been detected for the first time [ru

Solution of problems of automation of elevator complex

Directory of Open Access Journals (Sweden)

V. S. Kudryashov

2018-01-01

Full Text Available The article is devoted to the solution of automation tasks in the development of the operator's workstation (AWP for controlling the elevator with a capacity of 280 tons per hour as part of the work of LLC "Intelligent Automation Complexes". In the existing elevator complexes, only grain transportation is provided (there are no control systems with automatic grain drying with high accuracy of humidity measurement, automatic generation of grain transportation routes is not provided (for each route, a technical task is required and changes to the control program of the system are required. At the same time, more precise regulation of the flow of grain flows is required (the automatic latches used have only the "open / close" positions. The goal of elevator automation is: to reduce the time of equipment downturn by tracking the operating time of the equipment, the number of accidents and informing the operator about equipment that is susceptible to failure; reduction of the time for setting up and servicing the elevator; improvement of product quality; a decrease in the percentage of rejects, as well as a decrease in the influence of the human factor on the process. The paper provides a brief description of the proposed gate valve control algorithms, the auto-building of the grain drying route, the filtering of the grain moisture readings and the fragments of the operator's workstation program (in indusoft web studio for controlling the elevator complex. The proposed solutions allow: to reduce the time of equipment downtime by 20% and the total service time of the complex; weed out the undried grain for ridding in automatic mode for repeated drying; to improve the quality of products through automatic control of grain overheating; to reduce the production waste by 3%, and also to reduce the influence of the human factor on the process of grain transportation and drying.

Separation of glycols from dilute aqueous solutions via complexation with boronic acids

Energy Technology Data Exchange (ETDEWEB)

Randel, L.A.; King, C.J.

1991-07-01

This work examines methods of separating low molecular weight glycols from dilute aqueous solution. Extraction into conventional solvents is generally not economical, since, in the literature reviewed, distribution ratios for the two- to four-carbon glycols are all less than one. Distribution ratios can be increased, however, by incorporating into the organic phase an extracting agent that will complex with the solute of interest. The extracting agent investigated in this work is 3-nitrophenylboronic acid (NPBA). NPBA, a boric acid derivative, reversibly complexes with many glycols. The literature on complexation of borate and related compounds with glycols, including mechanistic data, measurement techniques, and applications to separation processes, provides information valuable for designing experiments with NPBA and is reviewed herein. 88 refs., 15 figs., 24 tabs.

Oxalic acid complexes: Promising draw solutes for forward osmosis (FO) in protein enrichment

KAUST Repository

Ge, Qingchun; Chung, Neal Tai-Shung

2015-01-01

Highly soluble oxalic acid complexes (OACs) were synthesized through a one-pot reaction. The OACs exhibit excellent performance as draw solutes in FO processes with high water fluxes and negligible reverse solute fluxes. Efficient protein enrichment was achieved. The diluted OACs can be recycled via nanofiltration and are promising as draw solutes.

Formation and stabilization of anionic metal complexes in concentrated aqueous quaternary ammonium salt solutions

International Nuclear Information System (INIS)

Aronson, F.L.; Hwang, L.L.Y.; Ronca, N.; Solomon, N.A.; Steigman, J.

1985-01-01

Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl 4 - , which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO 4 - by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized in dilute acid containing quaternary ammonium salts. Their UV spectra showed the well-resolved vibronic fine structure associated with the symmetric chromium-to-oxygen charge-transfer band. It is known that these progressions are resolved in aprotic solvents, but not in aqueous acidic solution alone, and that the loss of fine structure in aqueous media is due to hydrogen bonding. The stabilization of anionic metal complexes and the resolution of vibronic structure in halochromates are probably consequences of water-structure-enforced ion paring. The present work suggests that the water molecules in immediate contact with the complex anions are more strongly hydrogen bonded to each other than to the complex. 21 references, 4 figures

Derivative spectrophotometry applied to solutions of complex composition

International Nuclear Information System (INIS)

Perfil'ev, V.A.

1986-01-01

The authors consider not only the basic principles of derivative spectrophotometry but also survey the data on its use in research on the properties of materials, the compositions of compounds, and the structures of complex chemical systems. Recording methods by which derivative spectra can be generated include descriptions of electronic differentiation, computer spectrum differentiation, wavelength modulation, and the two-way derivative method. A section on the advantages of derivative spectrophotometry presents a discussion on features enabling one to determine various substances from their characteristic absorption spectra without performing complicated operations to isolate or separate the components. Other topics include research on the structures of substances and metal-ion complexing in solutions, derivative spectrophotometry in gas analysis, gas determination, and determining organic and compounds

Method of stripping plutonium from tributyl phosphate solution which contains dibutyl phosphate-plutonium stable complexes

International Nuclear Information System (INIS)

Ochsenfeld, W.; Schmieder, H.

1976-01-01

Fast breeder fuel elements which have been highly burnt-up are reprocessed by extracting uranium and plutonium into an organic solution containing tributyl phosphate. The tributyl phosphate degenerates at least partially into dibutyl phosphate and monobutyl phosphate, which form stable complexes with tetravalent plutonium in the organic solution. This tetravalent plutonium is released from its complexed state and stripped into aqueous phase by contacting the organic solution with an aqueous phase containing tetravalent uranium. 6 claims, 1 drawing figure

A new sub-equation method applied to obtain exact travelling wave solutions of some complex nonlinear equations

International Nuclear Information System (INIS)

Zhang Huiqun

2009-01-01

By using a new coupled Riccati equations, a direct algebraic method, which was applied to obtain exact travelling wave solutions of some complex nonlinear equations, is improved. And the exact travelling wave solutions of the complex KdV equation, Boussinesq equation and Klein-Gordon equation are investigated using the improved method. The method presented in this paper can also be applied to construct exact travelling wave solutions for other nonlinear complex equations.

EPR spectra of vanadyl(2) intra-complexes with amino acids in solutions

International Nuclear Information System (INIS)

Shodiev, U.M.; Musaev, Z.M.; Khodzhaev, O.F.; Usmankhodzhaeva, Ya.S.; Parpiev, N.A.

1987-01-01

EPR spectra of vanadyl (2) intracomplexes with glycine, α- and β-alanines, benzoylglycine, lencine, glutamine and the aspartic acid of VOL 2 xH 2 O composition as well as with cystine of VOLxH 2 O composition (where L-monodeprotonated, in case of cystine and the aspartic acid - dideprotonated form of the amino acid) in aqueous, methanol, dimethylsulfoxide and pyridine solutions are studied. It is established that the structure determined in the solid state is retained in the dimethylsulfoxide solution and partially - in methanol. In aqueous, pyridine and partially in methanol solutions complexes are distorted and two molecules of the amino acid are coordinated monodentately through oxygen atoms of the carboxyl group, and ''vacant'' coordination places in the equatorial plane take two molecules of the solvent. From the data obtained it follows that the metal - nitrogen bond in the vanadyl (2) complexes studied with amino acids is not so strong than the metal - oxygen bond of the carboxyl ligand group

Mass spectrometric studies of the complexing behaviour of actinide ions in solution

International Nuclear Information System (INIS)

Steppert, Michael

2012-01-01

As the long-term radiotoxicity of spent nuclear fuel is governed by Plutonium and the Minor Actinides, these elements are focussed on for investigations in the framework of safety assessment for nuclear waste repositories. To shed more light on the selectivity of the partitioning ligands BTP and BTBP towards the extraction of trivalent actinides, the complexes these ligands form with lanthanides in octanolic solution were characterized. The differences in the extraction efficiencies among the different lanthanides were traced back to the varying preferential formation of Ln(BTP)3 complexes, depending on the ionic radius of the lanthanides. Additionally it was shown that depending on the sterical demand of BTBP ligands nitrate anions coordinate in the first coordination shell of Eu(BTBP)2-complexes. As the behavior of Plutonium under geochemical conditions is of particular interest for the safety assessment of potential nuclear waste repositories, the second part of the thesis focuses on the hydrolysis and colloid formation behavior of aqueous Plutonium solutions. The solution species of Zirconium(IV) as analogue for Plutonium(IV) as well as of Uranium(VI) and Plutonium(VI) were characterized and quantified by means of electrospray ionization mass spectrometry. Moreover the colloid-induced reduction of Pu(V) to Pu(IV) and the subsequent formation of colloidal species was investigated. [de

Neptunium carbonato complexes in aqueous solution: an electrochemical, spectroscopic, and quantum chemical study.

Science.gov (United States)

Ikeda-Ohno, Atsushi; Tsushima, Satoru; Takao, Koichiro; Rossberg, André; Funke, Harald; Scheinost, Andreas C; Bernhard, Gert; Yaita, Tsuyoshi; Hennig, Christoph

2009-12-21

The electrochemical behavior and complex structure of Np carbonato complexes, which are of major concern for the geological disposal of radioactive wastes, have been investigated in aqueous Na(2)CO(3) and Na(2)CO(3)/NaOH solutions at different oxidation states by using cyclic voltammetry, X-ray absorption spectroscopy, and density functional theory calculations. The end-member complexes of penta- and hexavalent Np in 1.5 M Na(2)CO(3) with pH = 11.7 have been determined as a transdioxo neptunyl tricarbonato complex, [NpO(2)(CO(3))(3)](n-) (n = 5 for Np(V), and 4 for Np(VI)). Hence, the electrochemical reaction of the Np(V/VI) redox couple merely results in the shortening/lengthening of bond distances mainly because of the change of the cationic charge of Np, without any structural rearrangement. This explains the observed reversible-like feature on their cyclic voltammograms. In contrast, the electrochemical oxidation of Np(V) in a highly basic carbonate solution of 2.0 M Na(2)CO(3)/1.0 M NaOH (pH > 13) yielded a stable heptavalent Np complex of [Np(VII)O(4)(OH)(2)](3-), indicating that the oxidation reaction from Np(V) to Np(VII) in the carbonate solution involves a drastic structural rearrangement from the transdioxo configuration to a square-planar-tetraoxo configuration, as well as exchanging the coordinating anions from carbonate ions (CO(3)(2-)) to hydroxide ions (OH(-)).

Separation of compounds with multiple -OH groups from dilute aqueous solutions via complexation with organoboronate. [1,2-propanediol

Energy Technology Data Exchange (ETDEWEB)

Chow, Tina Kuo Fung.

1992-05-01

The complexing extractant agent investigated in this work is 3-nitrophenylboronic acid (NPBA) in its anionic form (NPB). NPBA and Aliquat 336 (quaternary amine) is dissolved in 2-ethyl-l-hexanol, and the extractant is contacted with aq. NaOH. Solutes investigated were 1,2-propanediol, glycerol, fructose, sorbitol and lactic acid. Batch extraction experiments were performed at 25{degree}C. Partition coefficients, distribution ratios and loadings are reported for varying concentrations of solute and NPB. All solutes complexed with NPB{sup {minus}}, with all complexes containing only one NPB{sup {minus}} per complex. The 1:1 complexation constants for the solutes glycerol, fructose and sorbitol follow trends similar to complexation with B(OH){sub 4}{sup {minus}} (aq.), i.e. the complexation constants increase with increasing number of {minus}OH groups available for complexation. Assumption of 1:1 complex is not valid for 1, 2-propanediol, which showed overloading (more than one mole of solute complexed to one mole NPB{sup {minus}}) at higher concentrations. The {minus}OH group on the NPB{sup {minus}} which is left uncomplexed after one solute molecule had bound to the other two {minus}OH groups may be responsible for the overloading. Overloading is also observed in extraction of tactic acid, but through a different mechanism. It was found that TOMA{sup +} can extract lactic acid to an extent comparable to the uptake of lactic acid by NPB{sup {minus}}. The complexation is probably through formation of an acid-base ion pair. Losses of NPBA into the aqueous phase could lead to problems, poor economics in industrial separation processes. One way of overcoming this problem would be to incorporate the NPBA onto a solid support.

Graphical Solution of the Monic Quadratic Equation with Complex Coefficients

Science.gov (United States)

Laine, A. D.

2015-01-01

There are many geometrical approaches to the solution of the quadratic equation with real coefficients. In this article it is shown that the monic quadratic equation with complex coefficients can also be solved graphically, by the intersection of two hyperbolas; one hyperbola being derived from the real part of the quadratic equation and one from…

Comparative study of uranyl(VI) and -(V) carbonato complexes in an aqueous solution.

Science.gov (United States)

Ikeda, Atsushi; Hennig, Christoph; Tsushima, Satoru; Takao, Koichiro; Ikeda, Yasuhisa; Scheinost, Andreas C; Bernhard, Gert

2007-05-14

Electrochemical, complexation, and electronic properties of uranyl(VI) and -(V) carbonato complexes in an aqueous Na2CO3 solution have been investigated to define the appropriate conditions for preparing pure uranyl(V) samples and to understand the difference in coordination character between UO22+ and UO2+. Cyclic voltammetry using three different working electrodes of platinum, gold, and glassy carbon has suggested that the electrochemical reaction of uranyl(VI) carbonate species proceeds quasi-reversibly. Electrolysis of UO22+ has been performed in Na2CO3 solutions of more than 0.8 M with a limited pH range of 11.7 < pH < 12.0 using a platinum mesh electrode. It produces a high purity of the uranyl(V) carbonate solution, which has been confirmed to be stable for at least 2 weeks in a sealed glass cuvette. Extended X-ray absorption fine structure (EXAFS) measurements revealed the structural arrangement of uranyl(VI) and -(V) tricarbonato complexes, [UO2(CO3)3]n- [n = 4 for uranyl(VI), 5 for uranyl(V)]. The bond distances of U-Oax, U-Oeq, U-C, and U-Odist are determined to be 1.81, 2.44, 2.92, and 4.17 A for the uranyl(VI) complex and 1.91, 2.50, 2.93, and 4.23 A for the uranyl(V) complex, respectively. The validity of the structural parameters obtained from EXAFS has been supported by quantum chemical calculations for the uranyl(VI) complex. The uranium LI- and LIII-edge X-ray absorption near-edge structure spectra have been interpreted in terms of electron transitions and multiple-scattering features.

Thermodynamics of curium(III) in concentrated electrolyte solutions: formation of sulfate complexes in NaCl/Na2SO4 solutions

International Nuclear Information System (INIS)

Paviet, P.; Fanghaenel, T.; Klenze, R.; Kim, J.I.

1996-01-01

The formation of sulfate complexes of Curium in aqueous solutions is studied by time resolved laser fluorescence spectroscopy (TRLFS) at 25 C. The species Cm 3+ , Cm(SO 4 ) - , Cm(SO 4 ) - 2 and Cm(SO 4 ) 3- 3 are quantified spectroscopically in the trace concentration range by peak deconvolution of fluorescence emission spectra. The complex formation equilibria are measured in NaCl/ Na 2 SO 4 solutions of constant ionic strength (3 molal) as a function of the sulfate concentration. The stability constants of Cm(SO 4 ) + and Cm(SO 4 ) - 2 are determined to be log β 1 = 0.93±0.08 and log β 2 = 0.61±0.08, respectively. The complex Cm(SO 4 ) 3- 3 is found to be stable only at very high sulfate concentrations (above 1 molal) and therefore not considered for further evaluation. (orig.)

Uranium (VI) complexing by macrocyclic or chelating ligands in aqueous solutions stability, formation kinetics, polarographic properties

International Nuclear Information System (INIS)

Brighli, M.

1984-07-01

Stability of chelates (with EDTA,N,N ethylenediamine diacetic acid EDDA nitrilotriacetic acid NTA and iminodiacetic acid) of UO 2 2+ and UO 4 species of uranium VI is studied in aqueous solution (NaClO 4 3M at 25 deg celcius). Structure in solution are proposed and discussed for mononuclear species. Only complexing kinetics (formation and acid hydrolysis) of UO 4 with EDDA and NTA are studied by spectrophotometry (other reactions are too fast). Besides UO 2 2+ complexes are formed with crown ethers I5C5 and I8C6 in aqueous solution (TEA ClO 4 M/10 at 25 deg celcius. Complexes are probably stabilized by solvation. Results are confirmed by voltametry and reduction mechanisms of UO 2 2+ and its complexes on mercury drop are proposed. 143 refs [fr

The solution of a chiral random matrix model with complex eigenvalues

International Nuclear Information System (INIS)

Akemann, G

2003-01-01

We describe in detail the solution of the extension of the chiral Gaussian unitary ensemble (chGUE) into the complex plane. The correlation functions of the model are first calculated for a finite number of N complex eigenvalues, where we exploit the existence of orthogonal Laguerre polynomials in the complex plane. When taking the large-N limit we derive new correlation functions in the case of weak and strong non-Hermiticity, thus describing the transition from the chGUE to a generalized Ginibre ensemble. We briefly discuss applications to the Dirac operator eigenvalue spectrum in quantum chromodynamics with non-vanishing chemical potential. This is an extended version of hep-th/0204068

Study of the formation of soluble complexes of sodium caseinate and xanthan in solution.

Science.gov (United States)

Bouhannache, Bouchra; HadjSadok, Abdelkader; Touabet, Abdelkrim

2017-09-01

The main objective of this work was to determinate the optimum conditions for the formation of soluble complexes between sodium caseinate and xanthan in solution at neutral pH, in the presence of the NaCl. The study of the influence of the concentrations of these three substances showed that salt was the most influent factor. It worsens the thermodynamic incompatibility of the two biopolymers in solution, when they are present at large amounts. However, it contributes to soluble complexes formation, when sodium caseinate concentration is below 5.5%. In this case, gels with enhanced rheological properties were obtained. Infrared spectroscopy confirmed that the complexes formation within these gels involves hydrophobic interactions. On the other hand, dynamic light scattering revealed that dilution cause their dissociation. These soluble complexes are promising ingredients to ensure new texturing properties.

Self-Assembly of Discrete Metal Complexes in Aqueous Solution via Block Copolypeptide Amphiphiles

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Timothy J. Deming

2013-01-01

Full Text Available The integration of discrete metal complexes has been attracting significant interest due to the potential of these materials for soft metal-metal interactions and supramolecular assembly. Additionally, block copolypeptide amphiphiles have been investigated concerning their capacity for self-assembly into structures such as nanoparticles, nanosheets and nanofibers. In this study, we combined these two concepts by investigating the self-assembly of discrete metal complexes in aqueous solution using block copolypeptides. Normally, discrete metal complexes such as [Au(CN2]−, when molecularly dispersed in water, cannot interact with one another. Our results demonstrated, however, that the addition of block copolypeptide amphiphiles such as K183L19 to [Au(CN2]− solutions induced one-dimensional integration of the discrete metal complex, resulting in photoluminescence originating from multinuclear complexes with metal-metal interactions. Transmission electron microscopy (TEM showed a fibrous nanostructure with lengths and widths of approximately 100 and 20 nm, respectively, which grew to form advanced nanoarchitectures, including those resembling the weave patterns of Waraji (traditional Japanese straw sandals. This concept of combining block copolypeptide amphiphiles with discrete coordination compounds allows the design of flexible and functional supramolecular coordination systems in water.

Forward osmosis for oily wastewater reclamation: Multi-charged oxalic acid complexes as draw solutes

KAUST Repository

Ge, Qingchun; Amy, Gary L.; Chung, Neal Tai-Shung

2017-01-01

Cl and other recently synthesized draw solutes, the OA complexes show superior FO performance in terms of high water fluxes up to 27.5 and 89.1 LMH under the respective FO and PRO (pressure retarded osmosis) modes, both with negligible reverse solute fluxes

Wormhole solutions with a complex ghost scalar field and their instability

Science.gov (United States)

Dzhunushaliev, Vladimir; Folomeev, Vladimir; Kleihaus, Burkhard; Kunz, Jutta

2018-01-01

We study compact configurations with a nontrivial wormholelike spacetime topology supported by a complex ghost scalar field with a quartic self-interaction. For this case, we obtain regular asymptotically flat equilibrium solutions possessing reflection symmetry. We then show their instability with respect to linear radial perturbations.

Treatment of plutonium-bearing solutions: A brief survey of the DOE complex

International Nuclear Information System (INIS)

Conner, C.; Chamberlain, D.B.; Chen, L.; Vandegrift, G.F.

1995-03-01

With the abrupt shutdown of some DOE facilities, a significant volume of in-process material was left in place and still requires treatment for interim storage. Because the systems containing these process streams have deteriorated since shutdown, a portable system for treating the solutions may be useful. A brief survey was made of the DOE complex on the need for a portable treatment system to treat plutonium-bearing solutions. A survey was completed to determine (1) the compositions and volumes of solutions and heels present, (2) the methods that have been used to treat these solutions and heels in the past, and (3) the potential problems that exist in removing and treating these solutions. Based on the surveys and on the Defense Nuclear Facilities Safety Board Recommendation 94-1, design criteria for a portable treatment system were generated

Ibandronate metal complexes: solution behavior and antiparasitic activity.

Science.gov (United States)

Demoro, Bruno; Rostán, Santiago; Moncada, Mauricio; Li, Zhu-Hong; Docampo, Roberto; Olea Azar, Claudio; Maya, Juan Diego; Torres, Julia; Gambino, Dinorah; Otero, Lucía

2018-03-01

To face the high costs of developing new drugs, researchers in both industry and academy are looking for ways to repurpose old drugs for new uses. In this sense, bisphosphonates that are clinically used for bone diseases have been studied as agents against Trypanosoma cruzi, causative parasite of Chagas disease. In this work, the development of first row transition metal complexes (M = Co 2+ , Mn 2+ , Ni 2+ ) with the bisphosphonate ibandronate (iba, H 4 iba representing the neutral form) is presented. The in-solution behavior of the systems containing iba and the selected 3d metal ions was studied by potentiometry. Mononuclear complexes [M(H x iba)] (2-x)- (x = 0-3) and [M(Hiba) 2 ] 4- together with the formation of the neutral polynuclear species [M 2 iba] and [M 3 (Hiba) 2 ] were detected for all studied systems. In the solid state, complexes of the formula [M 3 (Hiba) 2 (H 2 O) 4 ]·6H 2 O were obtained and characterized. All obtained complexes, forming [M(Hiba)] - species under the conditions of the biological studies, were more active against the amastigote form of T. cruzi than the free iba, showing no toxicity in mammalian Vero cells. In addition, the same complexes were selective inhibitors of the parasitic farnesyl diphosphate synthase (FPPS) enzyme showing poor inhibition of the human one. However, the increase of the anti-T. cruzi activity upon coordination could not be explained neither through the inhibition of TcFPPS nor through the inhibition of TcSPPS (T. cruzi solanesyl-diphosphate synthase). The ability of the obtained metal complexes of catalyzing the generation of free radical species in the parasite could explain the observed anti-T. cruzi activity.

Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

International Nuclear Information System (INIS)

Pershina, V.; Bastug, T.

1999-01-01

Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

Complex sulphide-barite ore leaching in ferric chloride solution

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Miroslav Sokić

2016-06-01

Full Text Available The results of research on the leaching process of complex sulphide-barite ore were presented in this paper. The leaching process was carried out in a laboratory autoclave by ferric chloride solution. Considering that those minerals are represented in complex structural-textural relationships, it is not possible to extract lead, zinc and copper minerals from ore by flotation methods. The obtained results confirmed possibility of the ore processing directly, by chemical methods. The effect of temperature, time and oxygen partial pressure on the lead, zinc and copper dissolution was studied. The maximal leaching degree was achieved at 100 °C and amount of 91.5 % for Pb, 96.1 % for Zn and 60.7 % for Cu. Leaching at temperatures above 100 °C is impractical.

Labile synthetic cadmium complexes are not bioavailable to Pseudokirchneriella subcapitata in resin buffered solutions

Energy Technology Data Exchange (ETDEWEB)

Verheyen, L., E-mail: Liesbeth.Verheyen@ees.kuleuven.be [Division of Soil and Water Management, K.U. Leuven, Kasteelpark Arenberg 20, Box 2459, 3001 Heverlee (Belgium); Merckx, R. [Division of Soil and Water Management, K.U.Leuven, Kasteelpark Arenberg 20, Box 2459, 3001 Heverlee (Belgium); Smolders, E., E-mail: Erik.Smolders@ees.kuleuven.be [Division of Soil and Water Management, K.U. Leuven, Kasteelpark Arenberg 20, Box 2459, 3001 Heverlee (Belgium)

2012-11-15

The Free Ion Activity Model (FIAM) predicts that cadmium (Cd) uptake by organisms is identical for solutions with the same free Cd{sup 2+} concentration and inorganic composition. Clear exceptions to the FIAM have been shown for Cd uptake by plant roots, periphyton and human cells where labile Cd complexes increase bioavailability and which has been attributed to their role in enhancing Cd diffusion towards the uptake cells. Here, we assessed the role of labile Cd complexes on Cd uptake by algae, for which diffusion limitations should be less pronounced due to their smaller size. Long-term (3 days) Cd uptake by the green algae Pseudokirchneriella subcapitata was measured in resin buffered solutions with or without synthetic ligands and at three Cd{sup 2+} ion activities (pCd 8.2-5.7). The free Cd{sup 2+} activity was maintained during the test using a metal-selective resin located in the algal bottles. Total dissolved Cd increased up to 35-fold by adding the synthetic ligands at constant Cd{sup 2+} activity. In contrast, Cd uptake by algae increased maximally 2.8 fold with increasing concentration of the synthetic ligands and the availability of the complexes were maximally 5.2% relative to Cd{sup 2+} for NTA and CDTA complexes. It is concluded that labile Cd complexes do not greatly enhance Cd bioavailability to the unicellular algae and calculations suggest that Cd transport from solution to these small cells is not rate limiting.

Labile synthetic cadmium complexes are not bioavailable to Pseudokirchneriella subcapitata in resin buffered solutions

International Nuclear Information System (INIS)

Verheyen, L.; Merckx, R.; Smolders, E.

2012-01-01

The Free Ion Activity Model (FIAM) predicts that cadmium (Cd) uptake by organisms is identical for solutions with the same free Cd 2+ concentration and inorganic composition. Clear exceptions to the FIAM have been shown for Cd uptake by plant roots, periphyton and human cells where labile Cd complexes increase bioavailability and which has been attributed to their role in enhancing Cd diffusion towards the uptake cells. Here, we assessed the role of labile Cd complexes on Cd uptake by algae, for which diffusion limitations should be less pronounced due to their smaller size. Long-term (3 days) Cd uptake by the green algae Pseudokirchneriella subcapitata was measured in resin buffered solutions with or without synthetic ligands and at three Cd 2+ ion activities (pCd 8.2–5.7). The free Cd 2+ activity was maintained during the test using a metal-selective resin located in the algal bottles. Total dissolved Cd increased up to 35-fold by adding the synthetic ligands at constant Cd 2+ activity. In contrast, Cd uptake by algae increased maximally 2.8 fold with increasing concentration of the synthetic ligands and the availability of the complexes were maximally 5.2% relative to Cd 2+ for NTA and CDTA complexes. It is concluded that labile Cd complexes do not greatly enhance Cd bioavailability to the unicellular algae and calculations suggest that Cd transport from solution to these small cells is not rate limiting.

Solid solutions of platinum(II) and palladium(II) oxalato-complex salt as precursors of nanoalloys

Science.gov (United States)

Zadesenets, A. V.; Asanova, T. I.; Vikulova, E. S.; Filatov, E. Yu.; Plyusnin, P. E.; Baidina, I. A.; Asanov, I. P.; Korenev, S. V.

2013-03-01

A solid solution of platinum (II) and palladium (II) oxalato-complex salt, (NH4)2[Pt0.5Pd0.5(C2O4)2]·2H2O, has been synthesized and studied as a precursor for preparing bimetallic PtPd nanoparticles through its thermal decomposition. The smallest homogenous bimetallic PtPd nanoparticles were found to form in hydrogen and helium atmospheres. The annealing temperature and time have low effect on the bimetallic particles size. Comparative analysis of structural and thermal properties of the solid solution and individual Pt, Pd oxalato-complex salts was performed to investigate a mechanism of thermal decomposition of (NH4)2[Pt0.5Pd0.5(C2O4)2]·2H2O. Based on in situ X-ray photoemission spectroscopy investigation it was proposed a mechanism of formation of bimetallic PtPd nanoparticles from the solid-solution oxalato-complex salt during thermal decomposition.

Limitations when use chloramphenicol-bcyclodextrins complexes in ophtalmic solutions buffered with boric acid/borax system

Directory of Open Access Journals (Sweden)

Todoran Nicoleta

2014-12-01

Full Text Available Chloramphenicol eye drops are commonly prescribed in concentrations of 0.5-1% in the treatment of infectious conjunctivitis. In terms of ophthalmic solution preparation, the major disadvantage of chloramphenicol consists in its low solubility in water. The solubility is increased by substances that form chloramphenicol-complexes, for example: boric acid/borax or cyclodextrins. Objective: Experimental studies aimed to evaluate the potential advantages of enhancing the solubility and stability of chloramphenicol (API by molecular encapsulation in b-cyclodextrin (CD, in formulation of ophthalmic solutions buffered with boric acid/borax system. Methods and Results: We prepared four APIb- CD complexes, using two methods (kneading and co-precipitation and two molar ratio of API/b-cyclodextrin (1:1 and 1:2. The formation of complexes was proved by differential scanning calorimetry (DSC and the in vitro dissolution tests. Using these compounds, we prepared eight ophthalmic solutions, formulated in two variants of chloramphenicol concentrations (0.4% and 0.5%. Each solution was analyzed, by the official methods, at preparation and periodically during three months of storing in different temperature conditions (4°C, 20°C and 30°C. Conclusions: Inclusion of chloramphenicol in b-cyclodextrin only partially solves the difficulties due to the low solubility of chloramphenicol. The protection of chloramphenicol molecules is not completely ensured when the ophthalmic solutions are buffered with the boric acid/borax system.

Selection of rational technical solutions in designing a robotized assembly complex

International Nuclear Information System (INIS)

Petrov, B.M.; Rasulbekov, R.I.

1984-01-01

One of the methods permitting a more objective approach to decision making in design is the method of ordered search which, in combination with the methods of expert estimate was used in designing the robotized assembly-finishing complex for automobile tires. The assembly-finishing complex consists of a number of functionally independent parts, i.e., modules provided with manipulators and mutually connected by a transport system with intermediate storage. The modified method of ordered search, examined in the present work, was therefore used for each module separately, and not for the complex as a whole. We will examine the main principles of our approach to the selection of design solutions for the example of a module for laying on the bottom-cushion cords

Exact solutions of the one-dimensional generalized modified complex Ginzburg-Landau equation

International Nuclear Information System (INIS)

Yomba, Emmanuel; Kofane, Timoleon Crepin

2003-01-01

The one-dimensional (1D) generalized modified complex Ginzburg-Landau (MCGL) equation for the traveling wave systems is analytically studied. Exact solutions of this equation are obtained using a method which combines the Painleve test for integrability in the formalism of Weiss-Tabor-Carnevale and Hirota technique of bilinearization. We show that pulses, fronts, periodic unbounded waves, sources, sinks and solution as collision between two fronts are the important coherent structures that organize much of the dynamical properties of these traveling wave systems. The degeneracies of the 1D generalized MCGL equation are examined as well as several of their solutions. These degeneracies include two important equations: the 1D generalized modified Schroedinger equation and the 1D generalized real modified Ginzburg-Landau equation. We obtain that the one parameter family of traveling localized source solutions called 'Nozaki-Bekki holes' become a subfamily of the dark soliton solutions in the 1D generalized modified Schroedinger limit

Nitrate adsorption from aqueous solution using granular chitosan-Fe{sup 3+} complex

Energy Technology Data Exchange (ETDEWEB)

Hu, Qili [School of Water Resources and Environment, China University of Geosciences (Beijing), Beijing, 100083 (China); Key Laboratory of Groundwater Cycle and Environment Evolution,China University of Geosciences (Beijing), Ministry of Education, Beijing, 100083 (China); Chen, Nan, E-mail: chennan@cugb.edu.cn [School of Water Resources and Environment, China University of Geosciences (Beijing), Beijing, 100083 (China); Key Laboratory of Groundwater Cycle and Environment Evolution, China University of Geosciences (Beijing), Ministry of Education, Beijing, 100083 (China); Feng, Chuanping [School of Water Resources and Environment, China University of Geosciences (Beijing), Beijing, 100083 (China); Key Laboratory of Groundwater Cycle and Environment Evolution, China University of Geosciences (Beijing), Ministry of Education, Beijing, 100083 (China); Hu, WeiWu [The Journal Center, China University of Geosciences (Beijing), Beijing, 100083 (China)

2015-08-30

Highlights: • Granular chitosan-Fe{sup 3+} complex had high performance for nitrate adsorption. • Granular chitosan-Fe{sup 3+} complex had shorter equilibrium time (1.5 h). • Nitrate adsorption was ascribed to ion exchange and electrostatic attraction. • Granular chitosan-Fe{sup 3+} complex could be regenerated using NaCl solution. - Abstract: In the present study, In order to efficiently remove nitrate, granular chitosan-Fe{sup 3+} complex with high chemical stability and good environmental adaptation was synthesized through precipitation method and characterized using SEM, XRD, BET and FTIR. The nitrate adsorption performance was evaluated by batch experiments. The results indicated that granular chitosan-Fe{sup 3+} complex was an amorphous and mesoporous material. The BET specific surface area and average pore size were 8.98 m{sup 2} g{sup −1} and 56.94 Å, respectively. The point of zero charge was obtained at pH 5. The maximum adsorption capacity reached 8.35 mg NO{sub 3}{sup −}-N g{sup −1} based on Langmuir–Freundlich model. Moreover, no significant change in the nitrate removal efficiency was observed in the pH range of 3.0–10.0. The adverse influence of sulphate on nitrate removal was the most significant, followed by bicarbonate and fluoride, whereas chloride had slightly adverse effect. Adsorption process followed the pseudo-second-order kinetic model, and the experimental equilibrium data were fitted well with the Langmuir–Freundlich and D–R isotherm models. Thermodynamic parameters revealed that nitrate adsorption was a spontaneous and exothermic process. Granular chitosan-Fe{sup 3+} complex could be effectively regenerated by NaCl solution.

Iodine K-edge EXAFS analysis of iodide ion-cyclodextrin inclusion complexes in aqueous solution

International Nuclear Information System (INIS)

Kaneko, T; Ueda, M; Nagamatsu, S; Konishi, T; Fujikawa, T; Mizumaki, M

2009-01-01

We study the structure of inclusion complexes of α-, β-, γ-cyclodextrin with mono-iodide ion in aqueous solution by means of iodine K-edge EXAFS spectroscopy. The analysis is based on the assumption that two kinds of iodide ions exist in KI-cyclodextrin aqueous solution i.e. hydrated mono-iodide ions and one-one mono-iodide-cyclodextrin inclusion complexes. In KI-α-cyclodextrin system, iodine K-edge EXAFS analyse show that the average coordination number of the oxygen atoms in water molecules in the first hydration shell decreases as the fraction of included ions increases. This result suggests that dehydration process accompanies the formation of the inclusion complex. This is not found in the case of β-cyclodextrin, indicating that in this case the iodide ions are included together with the whole first hydration shell.

Moessbauer spectroscopic evidence for iron(III) complexation and reduction in acidic aqueous solutions of indole-3-butyric acid

International Nuclear Information System (INIS)

Kovacs, K.; Kuzmann, E.; Vertes, A.; Kamnev, A.A.; Shchelochkov, A.G.; Medzihradszky-Schweiger, H.; Mink, J.; Hungarian Academy of Sciences, Budapest

2004-01-01

Moessbauer spectroscopic studies were carried out in acidic (pH 2.3) 57 Fe III nitrate containing aqueous solutions of indole-3-butyric acid (IBA), rapidly frozen in liquid nitrogen at various periods of time after mixing the reagents. The data obtained show that in solution in the presence of IBA, iron(III) forms a complex with a dimeric structure characterised by a quadrupole doublet, whereas without IBA under similar conditions iron(III) exhibits a broad spectral feature due to a slow paramagnetic spin relaxation which, at liquid nitrogen temperature, results in a large anomalous line broadening (or, at T = 4.2 K, in a hyperfine magnetic splitting). The spectra of 57 Fe III +IBA solutions, kept at ambient temperature under aerobic conditions for increasing periods of time before freezing, contained a gradually increasing contribution of a component with a higher quadrupole splitting. The Moessbauer parameters for that component are typical for iron(II) aquo complexes, thus showing that under these conditions gradual reduction of iron(III) occurs, so that the majority (85%) of dissolved iron(III) is reduced within 2 days. The Moessbauer parameters for the iron(III)-IBA complex in aqueous solution and in the solid state (separated from the solution by filtration) were found to be similar, which may indicate that the dissolved and solid complexes have the same composition and/or iron(III) coordination environment. For the solid complex, the data of elemental analysis suggest the following composition of the dimer: [L 2 Fe-(OH) 2 -FeL 2 ] (where L is indole-3-butyrate). This structure is also in agreement with the data of infrared spectroscopic study of the complex reported earlier, with the side-chain carboxylic group in indole-3-butyrate as a bidentate ligand. The Moessbauer parameters for the solid 57 Fe III -IBA complex at T = 80 K and its acetone solution rapidly frozen in liquid nitrogen were virtually identical, which indicates that the complex retains its

Formation of ammonia complexes of alkaline earth elements in aqueous solutions

International Nuclear Information System (INIS)

Padar, T.G.; Stupko, T.V.; Isaev, I.D.; Pashkov, G.L.; Mironov, V.E.

1990-01-01

Coefficients of ammonia distribution between aqueous solutions of calcium, strontium, barium and ammonium perchlorate mixtures at ionic strength - 0.50; 1.0 and 1.5 at 298.2 K and ammonia concentrations 0.2-10 mol/dm 3 are measured. Formation of ammonia complexes of M(NH 3 ) n 2+ composition is shown. Logarithms of stepped stability constants for solutions with zero ionic strength for Ca 2+ are: -0.13; -0.25; -0.52 and -0.77, where n=1-4; for Sr 2+ : -0.04; -0.42 and -0.70, where n=1-3 and for Ba 2+ : -0.11; -0.50 and 0.76, where n=1-3

EXAFS Phase Retrieval Solution Tracking for Complex Multi-Component System: Synthesized Topological Inverse Computation

International Nuclear Information System (INIS)

Lee, Jay Min; Yang, Dong-Seok; Bunker, Grant B

2013-01-01

Using the FEFF kernel A(k,r), we describe the inverse computation from χ(k)-data to g(r)-solution in terms of a singularity regularization method based on complete Bayesian statistics process. In this work, we topologically decompose the system-matched invariant projection operators into two distinct types, (A + AA + A) and (AA + AA + ), and achieved Synthesized Topological Inversion Computation (STIC), by employing a 12-operator-closed-loop emulator of the symplectic transformation. This leads to a numerically self-consistent solution as the optimal near-singular regularization parameters are sought, dramatically suppressing instability problems connected with finite precision arithmetic in ill-posed systems. By statistically correlating a pair of measured data, it was feasible to compute an optimal EXAFS phase retrieval solution expressed in terms of the complex-valued χ(k), and this approach was successfully used to determine the optimal g(r) for a complex multi-component system.

Solution structure of the Grb2 SH2 domain complexed with a high-affinity inhibitor

International Nuclear Information System (INIS)

Ogura, Kenji; Shiga, Takanori; Yokochi, Masashi; Yuzawa, Satoru; Burke, Terrence R.; Inagaki, Fuyuhiko

2008-01-01

The solution structure of the growth factor receptor-bound protein 2 (Grb2) SH2 domain complexed with a high-affinity inhibitor containing a non-phosphorus phosphate mimetic within a macrocyclic platform was determined by nuclear magnetic resonance (NMR) spectroscopy. Unambiguous assignments of the bound inhibitor and intermolecular NOEs between the Grb2 SH2 domain and the inhibitor was accomplished using perdeuterated Grb2 SH2 protein. The well-defined solution structure of the complex was obtained and compared to those by X-ray crystallography. Since the crystal structure of the Grb2 SH2 domain formed a domain-swapped dimer and several inhibitors were bound to a hinge region, there were appreciable differences between the solution and crystal structures. Based on the binding interactions between the inhibitor and the Grb2 SH2 domain in solution, we proposed a design of second-generation inhibitors that could be expected to have higher affinity

Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

Energy Technology Data Exchange (ETDEWEB)

Pietraszkiewicz, Marek, E-mail: mpietraszkiewicz@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Dutkiewicz, Grzegorz; Borowiak, Teresa [Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography, Grunwaldzka 6, 60-780 Poznań (Poland); Kaczmarek, Anna M. [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium); Van Deun, Rik, E-mail: rik.vandeun@ugent.be [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium)

2016-02-15

Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu{sup 3+} to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip){sub 3}. The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

International Nuclear Information System (INIS)

Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina; Dutkiewicz, Grzegorz; Borowiak, Teresa; Kaczmarek, Anna M.; Van Deun, Rik

2016-01-01

Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu 3+ to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip) 3 . The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

Computer analysis of potentiometric data of complexes formation in the solution

Science.gov (United States)

Jastrzab, Renata; Kaczmarek, Małgorzata T.; Tylkowski, Bartosz; Odani, Akira

2018-02-01

The determination of equilibrium constants is an important process for many branches of chemistry. In this review we provide the readers with a discussion on computer methods which have been applied for elaboration of potentiometric experimental data generated during complexes formation in solution. The review describes both: general basis of modeling tools and examples of the use of calculated stability constants.

The complex synthesis and solid state chemistry of ceria-lanthana solid solutions prepared via a hexamethylenetetramine precipitation

International Nuclear Information System (INIS)

Fleming, P.G.; Holmes, J.D.; Otway, D.J.; Morris, M.A.

2011-01-01

Mixed oxide solid solutions are becoming ever more commercially important across a range of applications. However, their synthesis can be problematical. Here, we show that ceria-lanthana solid solutions can be readily prepared via simple precipitation using hexamethylenetetramine. However, the solution chemistry can be complex, which results in the precipitated particles having a complex structure and morphology. Great care must be taken in both the synthesis and characterisation to quantify the complexity of the product. Even very high heat treatments were not able to produce highly homogeneous materials and X-ray diffractions reveals the non-equilibrium form of particles prepared in this way. Unexpected crystal structures are revealed including a new metastable cubic La 2 O 3 phase. - Graphical abstract: The suggested mechanism for the formation of dual fluorite phase particles, where Step 1 corresponds to room temperature aging, Step 2; heating the solution to 90 deg. C, Step 3; cooling of the solution to room temperature, Step 4; calcination to 500 deg. C, Step 5; calcination to 700 deg. C and Step 6; calcination to 1300 deg. C. The terminology of e.g. La 1-x Ce x (OH) 3 is used to indicate the formation of a mixed oxy-hydroxy participate rather than a definitive assignment of stoichiometry. Similarly, La 1-y Ce y O 2 only implies a mixed solid solution. Highlights: → Mol% of prepared Ce-La oxides did not follow that of reactant mol%. → Complex reaction pathway found to be dependent on metal solution concentrations. → At certain concentrations core shell particles were found to form. → A reaction model was produced based on cationic solubility. → Report lanthana solubility higher than previously reported in CeO 2 .

Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

Science.gov (United States)

Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

2018-06-01

Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

Value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations

Directory of Open Access Journals (Sweden)

Luo Li-Qin

2016-01-01

Full Text Available In this paper, we investigate the value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations, and obtain the results on the relations between the order of the solutions and the convergence exponents of the zeros, poles, a-points and small function value points of the solutions, which show the relations in the case of non-homogeneous equations are sharper than the ones in the case of homogeneous equations.

Influence of complexing on physicochemical properties of polymer-salt solutions. Vliyanie kompleksoobrazovaniya na fiziko-khimicheskie svojstva polimerno-solevykh rastvorov

Energy Technology Data Exchange (ETDEWEB)

Ostroushko, A A; Yushkova, S M; Koridze, N V; Skobkoreva, N V; Zhuravleva, L I; Palitskaya, T A; Antropova, S V; Ostroushko, I P [Ural' skij Gosudarstvennyj Univ., Sverdlovsk (Russian Federation) AN SSSR, Moscow (Russian Federation). Inst. Obshchej i Neorganicheskoj Khimii

1993-06-01

Using the methods of spectrophotometry, viscosimetry, conductometry the influence of salt-polymer complexing processes on physicochemical prperties of aqueous solutions of yttrium, barium, copper nitrates and formates with polyvinyl alcohol was studied. Change of dynamic viscosity, specific electric conductivity of solutions in the process of complexing was shown. Thermal effects of salt-polymer interaction were measured. It is shown that decrease of transition temperature of polymer to plastic state in films, temperature and effective activation energy of salt decomposition is also connected with complexing. Effective values of surface tension on the boundary with air are measured. Coefficients of cation diffusion in polymer-salt solutions are estimated.

Entropy-driven complex formation of malvidin-3- O-glucoside with common polyphenols in ethanol-water binary solutions

Science.gov (United States)

Kunsági-Máté, Sándor; Ortmann, Erika; Kollár, László; Nikfardjam, Martin Pour

2008-09-01

The complex formation of malvidin-3- O-glucoside with several polyphenols, the so-called "copigmentation" phenomenon, was studied in aqueous solutions. To simulate the copigmentation process during fermentation, the stability of the formed complexes was examined in dependence of the ethanol content of the aqueous solution. Results indicate that stronger and larger complexes are formed, when the ethanol content exceeds a critical margin of 8 vol.% However, the size of complexes of malvidin/procyanidin and malvidin/epicatechin is drastically reduced above this critical concentration. Fluorescence lifetime and solvent relaxation measurements give insight into the particular processes at molecular level and will help us comprehend the first important steps during winemaking in order to recommend an optimized winemaking technology to ensure extraordinary colour stability in red wines.

A Solution Study of Complex Formation of Some Diamines with Lanthanones

Directory of Open Access Journals (Sweden)

J. J. Vora

2009-01-01

Full Text Available To study the metal ligand equilibrium in aqueous solution, the well known Irving-Rossotti titration method was used. The temperature selected is 30±0.10C at ionic strength 0.2 M (NaClO4 which was maintained constant through out the work. The binary metal complex (ML2 formation was studied. The metals selected are Sm3+, Gd3+, Dy3+ and Yb3+. The diamine ligands taken are ethylenediamine, 1,2 diamino propane, 1,3 diamino propane, N-N diethyl ethylenediamine and N-N -dimethyl ethylenediamine. Factors that affected the stability of the complexes are size and ionic potential of lanthanone ions, basicity of ligands, ring size and steric effect of ligands.

ON ENTIRE SOLUTIONS OF TWO TYPES OF SYSTEMS OF COMPLEX DIFFERENTIAL-DIFFERENCE EQUATIONS

Institute of Scientific and Technical Information of China (English)

Lingyun GAO

2017-01-01

In this paper,we will mainly investigate entire solutions with finite order of two types of systems of differential-difference equations,and obtain some interesting results.It extends some results concerning complex differential (difference) equations to the systems of differential-difference equations.

Spectrophotometric study of holmium complexation in KOH solutions at 25 Deg C

International Nuclear Information System (INIS)

Stepanchikova, S.A.; Bitejkina, R.P.

2006-01-01

Complexation of Ho 3+ in solutions of HoCl 3 and KOH at 25 Deg C is studied by indicator spectrophotometric method. Within the range of pH 9.25-10.10 and μ≤4 x 10 -4 stability constants of Ho 3+ hydroxocomplexes are measured and are extrapolated on zero ion strength [ru

Higher derivative discontinuous solutions to linear ordinary differential equations: a new route to complexity?

International Nuclear Information System (INIS)

Datta, Dhurjati Prasad; Bose, Manoj Kumar

2004-01-01

We present a new one parameter family of second derivative discontinuous solutions to the simplest scale invariant linear ordinary differential equation. We also point out how the construction could be extended to generate families of higher derivative discontinuous solutions as well. The discontinuity can occur only for a subset of even order derivatives, viz., 2nd, 4th, 8th, 16th,.... The solutions are shown to break the discrete parity (reflection) symmetry of the underlying equation. These results are expected to gain significance in the contemporary search of a new dynamical principle for understanding complex phenomena in nature

Functions of chalcogenide electrodes in solutions of complexing reagents and interfering ions

International Nuclear Information System (INIS)

Kiyanskij, V.V.

1990-01-01

The possibility to modify chalcogenide electrodes and their behaviour in solutions of complexing reagents for the development of new methods of potentiometric titration has been studied. It is shown that complexing reagents (EDTA, cupferron, 8-hydroxyquinoline, sodium dithiocarbaminate) and Cu(2), Hg(2) produce a strong effect on the functions of Ag, Cu, Cd, Pb - selective electrodes, which is used for titration of potential-determining and non-potential-determining ions ions (Sr 2+ , La 3+ etc.) and also for modification of sulfide-selecting electrode. A method of potentiometric titration of sulfates and chlorides with modified Cd- and Ag-selective electrodes is suggested

Generalist solutions to complex problems: generating practice-based evidence--the example of managing multi-morbidity.

Science.gov (United States)

Reeve, Joanne; Blakeman, Tom; Freeman, George K; Green, Larry A; James, Paul A; Lucassen, Peter; Martin, Carmel M; Sturmberg, Joachim P; van Weel, Chris

2013-08-07

A growing proportion of people are living with long term conditions. The majority have more than one. Dealing with multi-morbidity is a complex problem for health systems: for those designing and implementing healthcare as well as for those providing the evidence informing practice. Yet the concept of multi-morbidity (the presence of >2 diseases) is a product of the design of health care systems which define health care need on the basis of disease status. So does the solution lie in an alternative model of healthcare? Strengthening generalist practice has been proposed as part of the solution to tackling multi-morbidity. Generalism is a professional philosophy of practice, deeply known to many practitioners, and described as expertise in whole person medicine. But generalism lacks the evidence base needed by policy makers and planners to support service redesign. The challenge is to fill this practice-research gap in order to critically explore if and when generalist care offers a robust alternative to management of this complex problem. We need practice-based evidence to fill this gap. By recognising generalist practice as a 'complex intervention' (intervening in a complex system), we outline an approach to evaluate impact using action-research principles. We highlight the implications for those who both commission and undertake research in order to tackle this problem. Answers to the complex problem of multi-morbidity won't come from doing more of the same. We need to change systems of care, and so the systems for generating evidence to support that care. This paper contributes to that work through outlining a process for generating practice-based evidence of generalist solutions to the complex problem of person-centred care for people with multi-morbidity.

Solution equilibrium of metal ions-binary complexes with 3-(2-ethylamino-1-hydroxyethyl] phenol (Effortil

Directory of Open Access Journals (Sweden)

Mohamed Magdy Khalil

2016-11-01

Full Text Available Formation of binary complexes of Al(III, Cr(III, Fe(III, Th(IV, UO2(II, Ce(III, La(III, and Gd(III with 3-(2-ethylamino-1-hydroxyethyl] phenol (Effortil were studied potentiometrically at 37.0 °C and I = 0.16 mol dm−3 NaNO3 in aqueous solution. The acid–base properties of Effortil were investigated and discussed. The order of stability of the complexes was investigated and is discussed in terms of the metal ion. The experimental pH titration data were analyzed in order to evaluate the formation constants of various intermediate species formed. The concentration distribution of various species formed in solution was evaluated.

Calcium-dependent stoichiometries of the KCa2.2 (SK) intracellular domain/calmodulin complex in solution.

Science.gov (United States)

Halling, D Brent; Kenrick, Sophia A; Riggs, Austen F; Aldrich, Richard W

2014-02-01

Ca(2+) activates SK Ca(2+)-activated K(+) channels through the protein Ca(2+) sensor, calmodulin (CaM). To understand how SK channels operate, it is necessary to determine how Ca(2+) regulates CaM binding to its target on SK. Tagless, recombinant SK peptide (SKp), was purified for binding studies with CaM at low and high Ca(2+) concentrations. Composition gradient multi-angle light scattering accurately measures the molar mass, stoichiometry, and affinity of protein complexes. In 2 mM Ca(2+), SKp and CaM bind with three different stoichiometries that depend on the molar ratio of SKp:CaM in solution. These complexes include 28 kD 1SKp/1CaM, 39 kD 2SKp/1CaM, and 44 kD 1SKp/2CaM. A 2SKp/2CaM complex, observed in prior crystallographic studies, is absent. At sedimentation coefficient is smaller for a 1SKp:1CaM solution than it is for either 2SKp:1CaM or 1SKp:2CaM. At low Ca(2+) and at >100 µM protein concentrations, a molar excess of SKp over CaM causes aggregation. Aggregation is not observed in Ca(2+) or with CaM in molar excess. In low Ca(2+) both 1SKp:1CaM and 1SKp:2CaM solutions have similar sedimentation coefficients, which is consistent with the absence of a 1SKp/2CaM complex in low Ca(2+). These results suggest that complexes with stoichiometries other than 2SKp/2CaM are important in gating.

A model based bayesian solution for characterization of complex damage scenarios in aerospace composite structures.

Science.gov (United States)

Reed, H; Leckey, Cara A C; Dick, A; Harvey, G; Dobson, J

2018-01-01

Ultrasonic damage detection and characterization is commonly used in nondestructive evaluation (NDE) of aerospace composite components. In recent years there has been an increased development of guided wave based methods. In real materials and structures, these dispersive waves result in complicated behavior in the presence of complex damage scenarios. Model-based characterization methods utilize accurate three dimensional finite element models (FEMs) of guided wave interaction with realistic damage scenarios to aid in defect identification and classification. This work describes an inverse solution for realistic composite damage characterization by comparing the wavenumber-frequency spectra of experimental and simulated ultrasonic inspections. The composite laminate material properties are first verified through a Bayesian solution (Markov chain Monte Carlo), enabling uncertainty quantification surrounding the characterization. A study is undertaken to assess the efficacy of the proposed damage model and comparative metrics between the experimental and simulated output. The FEM is then parameterized with a damage model capable of describing the typical complex damage created by impact events in composites. The damage is characterized through a transdimensional Markov chain Monte Carlo solution, enabling a flexible damage model capable of adapting to the complex damage geometry investigated here. The posterior probability distributions of the individual delamination petals as well as the overall envelope of the damage site are determined. Copyright © 2017 Elsevier B.V. All rights reserved.

Steric structure and thermodynamic aspects of Dy3+ complexes with aminobenzoic acids in aqueous solutions

International Nuclear Information System (INIS)

Kondrashina, Yu.G.; Mustafina, A.R.; Vul'fson, S.G.

1994-01-01

Stability and structure of dysprosium(3) aminobenzoate complexes with molar ratios Dy:L 1:1 and 1:2 (HL-aminobenzoic acid) in aqueous solutions are determined on the basis of pH-metric and paramagnetic birefringence data. The increase of conjugation effect in the series of benzoic, meta- ortho-, and para-aminobenzoic acid results in the increase of stability of 1:1 and 1:2 complexes. Features of the structure and coordination of ligands in dysprosium complexes with meta-, ortho-, and para-aminobenzoic acid are considered. 11 refs.; 4 figs.; 2 tabs

Spectroscopic characterization of the oxyferrous complex of prostacyclin synthase in solution and in trapped sol–gel matrix

Science.gov (United States)

Yeh, Hui-Chun; Hsu, Pei-Yung; Tsai, Ah-Lim; Wang, Lee-Ho

2010-01-01

Prostacyclin synthase (PGIS) is a member of the cytochrome P450 family in which the oxyferrous complexes are generally labile in the absence of substrate. At 4 °C, the on-rate constants and off-rate constants of oxygen binding to PGIS in solution are 5.9 × 105 m−1 ·s−1 and 29 s−1, respectively. The oxyferrous complex decays to a ferric form at a rate of 12 s−1. We report, for the first time, a stable oxyferrous complex of PGIS in a transparent sol–gel monolith. The encapsulated ferric PGIS retained the same spectroscopic features as in solution. The binding capabilities of the encapsulated PGIS were demonstrated by spectral changes upon the addition of O-based, N-based and C-based ligands. The peroxidase activity of PGIS in sol–gel was three orders of magnitude slower than that in solution owing to the restricted diffusion of the substrate in sol–gel. The oxyferrous complex in sol–gel was observable for 24 h at room temperature and displayed a much red-shifted Soret peak. Stabilization of the ferrous–carbon monoxide complex in sol–gel was observed as an enrichment of the 450-nm species over the 420-nm species. This result suggests that the sol–gel method may be applied to other P450s to generate a stable intermediate in the di-oxygen activation. PMID:18397321

Borate-polyol complexes in aqueous solution: determination of enthalpies by thermometric titrimetry.

Science.gov (United States)

Aruga, R

1985-06-01

Enthalpies for the reaction of borate with 1,2-ethanediol, 1,2-propanediol, 1,2,3-propanetriol and d-mannitol have been determined by thermometric titrimetry. From these enthalpies and equilibrium constants taken from the literature, corresponding entropies have been calculated. The data refer to aqueous solutions at 25 degrees and I = 1.0M (NaNO(3)). The results indicate reasons for the differences in the stabilities of the complexes.

Complex formation between neptunium(V) and various thiosemicarbazide derivatives in aqueous solution

International Nuclear Information System (INIS)

Chuguryan, D.G.; Dzyubenko, V.I.; Gerbeleu, N.V.

1987-01-01

Complex formation between neptunium(V) and various thiosemicarbazide derivatives in solution has been studied spectrophotometrically in the pH range 4-10. Stepwise formation of three types of complexes, with composition NpO 2 HA, NpO 2 A - , and NpOHA 2- , has been demonstrated with salicylaldehyde thiosemicarbazone (H 2 L) and salicylaldehyde S-methyl-isothiosemicarbazone (H 2 Q) at t = 25 +/- 1 0 C and μ = 0.05. The logarithmic stability constants of the first two complexes are 5.14 +/- 0.06, 11.85 +/- 0.04 and 8.42 +/- 0.09, 13.33 +/- 0.015 for H 2 L and H 2 Q, respectively; equilibrium constants for the formation of hydroxo complexes of the form NpO 2 OHL 2- and NpO 2 OHQ 2- were also determined, and found to be equal to (2.23 +/-0.37) x 10 -5 and (5.02 +/- 0.9) x 10 -5 , respectively. In the case of S-methyl-N 1 ,N 4 -bis(salicylidene)isothiosemicarbazide (H 2 Z), only one type of complex is formed under these experimental conditions, namely, NpO 2 Z - , with a logarithmic stability constant of 4.78 +/- 0.03. Dissociation constants for H 2 Q and H 2 Z were also determined

The effect of boundaries on the asymptotic wavenumber of spiral wave solutions of the complex Ginzburg–Landau equation

KAUST Repository

Aguareles, M.

2014-01-01

In this paper we consider an oscillatory medium whose dynamics are modeled by the complex Ginzburg-Landau equation. In particular, we focus on n-armed spiral wave solutions of the complex Ginzburg-Landau equation in a disk of radius d

Comment on "Defocusing complex short-pulse equation and its multi-dark-soliton solution"

Science.gov (United States)

Youssoufa, Saliou; Kuetche, Victor K.; Kofane, Timoleon C.

2017-08-01

In their recent paper, Feng et al. [Phys. Rev. E 93, 052227 (2016), 10.1103/PhysRevE.93.052227] proposed a complex short-pulse equation of both focusing and defocusing types. They studied in detail the defocusing case and derived its multi-dark-soliton solutions. Nonetheless, from a physical viewpoint in order to better and deeply understand their genuine implications, we find it useful to provide a real and proper background for the derivation of the previous evolution system while showing that the expression of the nonlinear electric polarization the above authors used in their scheme is not suitable for getting the defocusing complex short-pulse equation.

Protonation of D-gluconate and its complexation with Np(V) in acidic to nearly neutral solutions

International Nuclear Information System (INIS)

Zhang, Z.; Clark, S.B.; Tian, G.; Rao, L.; Zanonato, P.L.

2006-01-01

Thermodynamic properties of the protonation of D-gluconic acid (HGH 4 (aq)) and its complexation with Np(V) have been studied in acidic to nearly neutral solutions at t = 25 C and I = 1 M NaClO 4 by potentiometry, spectrophotometry and calorimetry. The protonation constant (log K H ) and enthalpy (ΔH H ) of the carboxylate group are determined to be (3.30 ± 0.10) and -(4.03 ± 0.07) kJ mol -1 , respectively. Gluconate forms two Np(V) complexes in nearly neutral solutions. The formation constants and enthalpies of complexation are: log β 1 = (1.48 ± 0.03) and ΔH 1 = -(7.42 ± 0.13) kJ mol -1 for NpO 2 (GH 4 )(aq), log β = (2.14 ± 0.09) and ΔH 2 = -(12.08 ± 0.45) kJ mol -1 for NpO 2 (GH 4 ) 2 - . The thermodynamic parameters indicate that gluconic acid, like isosaccharinic acid and other α-hydroxycarboxylic acids, is a slightly stronger acid and forms stronger complexes with Np(V) than simple monocarboxylic acids. (orig.)

Characterization of amorphous yttria layers deposited by aqueous solutions of Y-chelate alkoxides complex

Science.gov (United States)

Kim, Young-Soon; Lee, Yu-Ri; Kim, Byeong-Joo; Lee, Jae-Hun; Moon, Seung-Hyun; Lee, Hunju

2015-01-01

Crack-free amorphous yttria layers were deposited by dip coating in solutions of different Y-chelate alkoxides complex. Three Y-chelate solutions of different concentrations were prepared using yttrium acetate tetrahydrate, yttrium stearic acid as Y source materials. PEG, diethanolamine were used as chelating agents, while ethanol, methanol and tetradecane were used as solvent. Three different combinations of chelating and solvents were used to prepare solutions for Y2O3 dip coating on SUS, electropolished and non-electropolished Hastelloy C-276 substrates. The thickness of the films was varied by changing the number of dipping cycles. At an optimized condition, the substrate surface roughness (rms) value was reduced from ∼50 nm to ∼1 nm over a 10 × 10 μm2 area. After Y2O3 deposition, MgO was deposited using ion-beam assisted deposition (IBAD), then LaMnO3 (LMO) was deposited using sputtering and GdBCO was deposited using reactive co-evaporation by deposition and reaction (RCE-DR). Detailed X-ray study indicates that LMO/MgO/Y2O3 and GdBCO/LMO/MgO/Y2O3 stack films have good out-of-plane and in-plane textures with strong c-axis alignment. The critical current (Ic) of GdBCO/LMO/MgO/Y2O3 multilayer structure varied from 190 to 420 A/cm with different solutions, when measured at 77 K. These results demonstrated that amorphous yttria can be easily deposited by dip coating using Y-chelates complex as a diffusion barrier and nucleation layer.

Critical Parameters of Complex Geometry Intersecting Cylinders Containing Uranyl Nitrate Solution

Energy Technology Data Exchange (ETDEWEB)

Rothe, Robert Emil; Briggs, Joseph Blair

1999-06-01

About three dozen previously unreported critical configurations are presented for very complex geometries filled with high concentration enriched uranyl nitrate solution. These geometries resemble a tall, thin Central Column (or trunk of a "tree") having long, thin arms (or "branches") extending up to four directions off the column. Arms are equally spaced from one another in vertical planes; and that spacing ranges from arms in contact to quite wide spacings. Both the Central Column and the many different arms are critically safe by themselves when each, alone, is filled with fissile solution; but, in combination, criticality occurs due to the interactions between arms and the column. Such neutronic interactions formed the principal focus of this study. While these results are fresh to the nuclear criticality safety industry and to those seeking novel experiments against which to validate computer codes, the experiments, themselves, are not recent. Over 100 experiments were performed at the Rocky Flats Critical Mass Laboratory between September, 1967, and February of the following year.

A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

International Nuclear Information System (INIS)

Ray, Rupashree Shyama

2009-01-01

In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO_2"2"+, [UO_2OH]"+, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

Influence of ionic strength and OH(-) ion concentration on the Cu(II) complex formation with EDTA in alkaline solutions.

Science.gov (United States)

Norkus, E; Vaskelis, A; Zakaite, I

1996-03-01

D.c. polarographic data show that the complex formation of copper ions with EDTA depends markedly on the ionic strength of the solution at pH 8-10. This is primarily associated with the dependence of the fourth deprotonization constant of EDTA on the solution ionic strength: when it increases from 0.4 to 3.4, the pK(a4) value decreases from 9.5 to 8.2. According to polarographic and spectrophotometric data the degree of Cu(II) complexation increases at pH>10 due to transformation of the complex CuY(2-) to the more stable CuY(OH)(3-) (Y(4-), a fully deprotonized anion of EDTA), but it decreases with increase in alkalinity in a highly alkaline solution (pH>13.5). The latter result could be explained by the decrease in the EDTA anion activity. The calculated values of the activity coefficient are lower than 0.05 at pH>14.

Orbiting the moons of Pluto complex solutions to the Einstein, Maxwell, Schroedinger and Dirac equations

CERN Document Server

Rauscher, Elizabeth A

2011-01-01

The Maxwell, Einstein, Schrödinger and Dirac equations are considered the most important equations in all of physics. This volume aims to provide new eight- and twelve-dimensional complex solutions to these equations for the first time in order to reveal

Geometry and quadratic nonlinearity of charge transfer complexes in solution: A theoretical study

International Nuclear Information System (INIS)

Mukhopadhyay, S.; Ramasesha, S.; Pandey, Ravindra; Das, Puspendu K.

2011-01-01

In this paper, we have computed the quadratic nonlinear optical (NLO) properties of a class of weak charge transfer (CT) complexes. These weak complexes are formed when the methyl substituted benzenes (donors) are added to strong acceptors like chloranil (CHL) or di-chloro-di-cyano benzoquinone (DDQ) in chloroform or in dichloromethane. The formation of such complexes is manifested by the presence of a broad absorption maximum in the visible range of the spectrum where neither the donor nor the acceptor absorbs. The appearance of this visible band is due to CT interactions, which result in strong NLO responses. We have employed the semiempirical intermediate neglect of differential overlap (INDO/S) Hamiltonian to calculate the energy levels of these CT complexes using single and double configuration interaction (SDCI). The solvent effects are taken into account by using the self-consistent reaction field (SCRF) scheme. The geometry of the complex is obtained by exploring different relative molecular geometries by rotating the acceptor with respect to the fixed donor about three different axes. The theoretical geometry that best fits the experimental energy gaps, β HRS and macroscopic depolarization ratios is taken to be the most probable geometry of the complex. Our studies show that the most probable geometry of these complexes in solution is the parallel displaced structure with a significant twist in some cases.

Definition of an intramolecular Eu-to-Eu energy transfer within a discrete [Eu2L] complex in solution.

Science.gov (United States)

Nonat, Aline; Regueiro-Figueroa, Martín; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; Charbonnière, Loïc J

2012-06-25

Ligand L, based on two do3a moieties linked by the methylene groups of 6,6'-dimethyl-2,2'-bipyridine, was synthesized and characterized. The addition of Ln salts to an aqueous solution of L (0.01 M Tris-HCl, pH 7.4) led to the successive formation of [LnL] and [Ln(2)L] complexes, as evidenced by UV/Vis and fluorescence titration experiments. Homodinuclear [Ln(2)L] complexes (Ln = Eu, Gd, Tb, Yb, and Lu) were prepared and characterized. The (1)H and (13)C NMR spectra of the Lu and Yb complexes in D(2)O solution (pD = 7.0) showed C(1) symmetry of these species in solution, pointing to two different chemical environments for the two lanthanide cations. The analysis of the chemical shifts of the Yb complex indicated that the two coordination sites present square antiprismatic (SAP) coordination environments around the metal ions. The spectroscopic properties of the [Tb(2)L] complex upon ligand excitation revealed conventional behavior with τ(H2O) = 2.05(1) ms and ϕ(H2O) = 51%, except for the calculation of the hydration number obtained from the luminescent lifetimes in H(2)O and D(2)O, which pointed to a non-integer value of 0.6 water molecules per Tb(III) ion. In contrast, the Eu complex revealed surprising features such as: 1) the presence of two and up to five components in the (5)D(0)→(7)F(0) and (5)D(0)→(7)F(1) emission bands, respectively; 2) marked differences between the normalized spectra obtained in H(2)O and D(2)O solutions; and 3) unconventional temporal evolution of the luminescence intensity at certain wavelengths, the intensity profile first displaying a rising step before the occurrence of the expected decay. Additional spectroscopic experiments performed on [Gd(2-x)Eu(x)L] complexes (x = 0.1 and 1.9) confirmed the presence of two distinct Eu sites with hydration numbers of 0 (site I) and 2 (site II), and showed that the unconventional temporal evolution of the emission intensity is the result of an unprecedented intramolecular Eu

Solution of the scattering T matrix equation in discrete complex momentum space

International Nuclear Information System (INIS)

Rawitscher, G.H.; Delic, G.

1984-01-01

The scattering solution to the Lippmann-Schwinger equation is expanded into a set of spherical Bessel functions of complex wave numbers, K/sub j/, with j = 1,2 , . . . , M. The value of each K/sub j/ is determined from the condition that the spherical Bessel function smoothly matches onto an asymptotically outgoing spherical Hankel (or Coulomb) function of the correct physical wave number at a matching point R. The spherical Bessel functions thus determined are Sturmian functions, and they form a complete set in the interval 0 to R. The coefficients of the expansion of the scattering function are determined by matrix inversion of a linear set of algebraic equations, which are equivalent to the solution of the T-matrix equation in complex momentum space. In view of the presence of a matching radius, no singularities are encountered for the Green's functions, and the inclusion of Coulomb potentials offers no computational difficulties. Three numerical examples are performed in order to illustrate the convergence of the elastic scattering matrix S with M. One of these consists of a set of coupled equations which describe the breakup of a deuteron as it scatters from the nucleus on 58 Ni. A value of M of 15 or less is found sufficient to reproduce the exact S matrix element to an accuracy of four figures after the decimal point

Leaching of irradiated polymers: solution characterization and actinides complexation

International Nuclear Information System (INIS)

Fromentin, Elodie

2017-01-01

The first aim of this work is to study the degradation of an industrial poly-esterurethane (PURm) by radio-oxidation and then by leaching in an alkaline aqueous solution. The second aim is to measure the complexing power of hydro-soluble degradation products (HDP) with actinides. To reach these goals, PURm was first characterized and then radio-oxidized at room temperature with γ rays up to 10 MGy. Second, it was leached at pH 13.3 at different temperature values. Numerous analytical techniques were employed in order to characterize the HDP which were obtained. Europium(III) was used as an analogue of actinides(III) and the behavior of HDP with europium(III) was analyzed by time-resolved luminescence spectroscopy (TRLS). Whatever the dose received by PURm, adipic acid and butane-1,4-diol are the two main HDP in leachates. The leaching data acquired at 40 and 60 C, on the 1 MGy radio-oxidized PURm, correlate with the model given by Yoon et al. (1997). However, the data at room temperature (22 C in average) are not in agreement with the model. Nevertheless, it seems that the plateau which was reached at long-term leaching is the same whatever the temperature used in this study. The results allow to conclude that the predominant mechanism occurring during the leaching of unirradiated and radio-oxidized PURm in an alkaline medium is the hydrolysis of the soft segments ester groups. The complexation of europium(III) by HDP in alkaline medium was demonstrated. The measurement of the complexing power and the identification of ligands was achieved under certain conditions. (author) [fr

Using the Solution Space Diagram in Measuring the Effect of Sector Complexity During Merging Scenarios

NARCIS (Netherlands)

Abdul Rahman, S.M.B.; Van Paassen, M.M.; Mulder, M.

2011-01-01

When designing Air Traffic Control (ATC) sectors and procedures, traffic complexity and workload are important issues. For predicting ATC workload, metrics based on the Solution Space Diagram (SSD) have been proposed. This paper studies the effect of sector design on workload and SSD metrics. When

Photochemical redox reactions of copper(II)-alanine complexes in aqueous solutions.

Science.gov (United States)

Lin, Chen-Jui; Hsu, Chao-Sheng; Wang, Po-Yen; Lin, Yi-Liang; Lo, Yu-Shiu; Wu, Chien-Hou

2014-05-19

The photochemical redox reactions of Cu(II)/alanine complexes have been studied in deaerated solutions over an extensive range of pH, Cu(II) concentration, and alanine concentration. Under irradiation, the ligand-to-metal charge transfer results in the reduction of Cu(II) to Cu(I) and the concomitant oxidation of alanine, which produces ammonia and acetaldehyde. Molar absorptivities and quantum yields of photoproducts for Cu(II)/alanine complexes at 313 nm are characterized mainly with the equilibrium Cu(II) speciation where the presence of simultaneously existing Cu(II) species is taken into account. By applying regression analysis, individual Cu(I) quantum yields are determined to be 0.094 ± 0.014 for the 1:1 complex (CuL) and 0.064 ± 0.012 for the 1:2 complex (CuL2). Individual quantum yields of ammonia are 0.055 ± 0.007 for CuL and 0.036 ± 0.005 for CuL2. Individual quantum yields of acetaldehyde are 0.030 ± 0.007 for CuL and 0.024 ± 0.007 for CuL2. CuL always has larger quantum yields than CuL2, which can be attributed to the Cu(II) stabilizing effect of the second ligand. For both CuL and CuL2, the individual quantum yields of Cu(I), ammonia, and acetaldehyde are in the ratio of 1.8:1:0.7. A reaction mechanism for the formation of the observed photoproducts is proposed.

Room temperature synthesis of protonated layered titanate sheets using peroxo titanium carbonate complex solution.

Science.gov (United States)

Sutradhar, Narottam; Sinhamahapatra, Apurba; Pahari, Sandip Kumar; Bajaj, Hari C; Panda, Asit Baran

2011-07-21

We report the synthesis of peroxo titanium carbonate complex solution as a novel water-soluble precursor for the direct synthesis of layered protonated titanate at room temperature. The synthesized titanates showed excellent removal capacity for Pb(2+) and methylene blue. Based on experimental observations, a probable mechanism for the formation of protonated layered dititanate sheets is also discussed.

Building University Capacity to Visualize Solutions to Complex Problems in the Arctic

Science.gov (United States)

Broderson, D.; Veazey, P.; Raymond, V. L.; Kowalski, K.; Prakash, A.; Signor, B.

2016-12-01

Rapidly changing environments are creating complex problems across the globe, which are particular magnified in the Arctic. These worldwide challenges can best be addressed through diverse and interdisciplinary research teams. It is incumbent on such teams to promote co-production of knowledge and data-driven decision-making by identifying effective methods to communicate their findings and to engage with the public. Decision Theater North (DTN) is a new semi-immersive visualization system that provides a space for teams to collaborate and develop solutions to complex problems, relying on diverse sets of skills and knowledge. It provides a venue to synthesize the talents of scientists, who gather information (data); modelers, who create models of complex systems; artists, who develop visualizations; communicators, who connect and bridge populations; and policymakers, who can use the visualizations to develop sustainable solutions to pressing problems. The mission of Decision Theater North is to provide a cutting-edge visual environment to facilitate dialogue and decision-making by stakeholders including government, industry, communities and academia. We achieve this mission by adopting a multi-faceted approach reflected in the theater's design, technology, networking capabilities, user support, community relationship building, and strategic partnerships. DTN is a joint project of Alaska's National Science Foundation Experimental Program to Stimulate Competitive Research (NSF EPSCoR) and the University of Alaska Fairbanks (UAF), who have brought the facility up to full operational status and are now expanding its development space to support larger team science efforts. Based in Fairbanks, Alaska, DTN is uniquely poised to address changes taking place in the Arctic and subarctic, and is connected with a larger network of decision theaters that include the Arizona State University Decision Theater Network and the McCain Institute in Washington, DC.

A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Ray, Rupashree Shyama

2009-02-10

In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO{sub 2}{sup 2+}, [UO{sub 2}OH]{sup +}, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

Isomerization of 2-butene-1,4-diol in aqueous solutions catalyzed by palladium(II) complexes

Energy Technology Data Exchange (ETDEWEB)

Kalabin, S.M.; Novikov, N.A.; Belov, A.P.

1989-02-01

The authors studied the isomerization of 2-butene-1,4-diol into 3-butene-1,2-diol at 18-25/degree/C. The concentrations of the diol and PdCl/sub 2/ were (1.0-5.0) /times/ 10/sup /minus/2/ mole/liter at 5-10-fold excess amounts of HCl and NaCl. These additives were used because of their inhibiting action on the oxidation of olefinic compounds. 3-Butene-1,2-diol was identified by /sup 1/H NMR method directly in the reaction solutions in which the reaction solutions in which the reactions in D/sub 2/O were carried out. It was found that palladium(II) complexes catalyze the isomerization of 2-butene-1,4-diol into 3-butene-1,2-diol. A mechanism is proposed for the reaction, which includes the intermediate formation of /eta//sup 3/-allyl complex of palladium with a coordinated hydroxyl group.

Systematic analysis of protein–detergent complexes applying dynamic light scattering to optimize solutions for crystallization trials

Energy Technology Data Exchange (ETDEWEB)

Meyer, Arne [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Dierks, Karsten [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); XtalConcepts, Marlowring 19, 22525 Hamburg (Germany); Hussein, Rana [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Brillet, Karl [ESBS, Pôle API, 300 Boulevard Sébastien Brant, CS10413, 67412 Illkirch CEDEX (France); Brognaro, Hevila [São Paulo State University, UNESP/IBILCE, Caixa Postal 136, São José do Rio Preto-SP, 15054 (Brazil); Betzel, Christian, E-mail: christian.betzel@uni-hamburg.de [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany)

2015-01-01

Application of in situ dynamic light scattering to solutions of protein–detergent complexes permits characterization of these complexes in samples as small as 2 µl in volume. Detergents are widely used for the isolation and solubilization of membrane proteins to support crystallization and structure determination. Detergents are amphiphilic molecules that form micelles once the characteristic critical micelle concentration (CMC) is achieved and can solubilize membrane proteins by the formation of micelles around them. The results are presented of a study of micelle formation observed by in situ dynamic light-scattering (DLS) analyses performed on selected detergent solutions using a newly designed advanced hardware device. DLS was initially applied in situ to detergent samples with a total volume of approximately 2 µl. When measured with DLS, pure detergents show a monodisperse radial distribution in water at concentrations exceeding the CMC. A series of all-transn-alkyl-β-d-maltopyranosides, from n-hexyl to n-tetradecyl, were used in the investigations. The results obtained verify that the application of DLS in situ is capable of distinguishing differences in the hydrodynamic radii of micelles formed by detergents differing in length by only a single CH{sub 2} group in their aliphatic tails. Subsequently, DLS was applied to investigate the distribution of hydrodynamic radii of membrane proteins and selected water-insoluble proteins in presence of detergent micelles. The results confirm that stable protein–detergent complexes were prepared for (i) bacteriorhodopsin and (ii) FetA in complex with a ligand as examples of transmembrane proteins. A fusion of maltose-binding protein and the Duck hepatitis B virus X protein was added to this investigation as an example of a non-membrane-associated protein with low water solubility. The increased solubility of this protein in the presence of detergent could be monitored, as well as the progress of proteolytic

Actinide phosphonate complexes in aqueous solutions

International Nuclear Information System (INIS)

Nash, K.L.

1993-01-01

Complexes formed by actinides with carboxylic acids, polycarboxylic acids, and aminopolycarboxylic acids play a central role in both the basic and process chemistry of the actinides. Recent studies of f-element complexes with phosphonic acid ligands indicate that new ligands incorporating doubly ionizable phosphonate groups (-PO 3 H 2 ) have many properties which are unique chemically, and promise more efficient separation processes for waste cleanup and environmental restoration. Simple diphosphonate ligands form much stronger complexes than isostructural carboxylates, often exhibiting higher solubility as well. In this manuscript recent studies of the thermodynamics and kinetics of f-element complexation by 1,1 and 1,2 diphosphonic acid ligands are described

General classical solutions of the complex Grassmannian and CP sub(N-1) sigma models

International Nuclear Information System (INIS)

Sasaki, Ryu.

1983-05-01

General classical solutions are constructed for the complex Grassmannian non-linear sigma models in two euclidean dimensions in terms of holomorphic functions. The Grassmannian sigma models are a simple generalization of the well known CP sup(N-1) model in two dimensions and they share various interesting properties; existence of (anti-) instantons, an infinite number of conserved quantities and complete integrability. (author)

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

International Nuclear Information System (INIS)

Ikeda, Yasuhisa

2006-01-01

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

Thermodynamics of mixed-ligand complex formation of mercury (II) ethylenediaminetetraacetate with amino acids in solution

Energy Technology Data Exchange (ETDEWEB)

Pyreu, Dmitrii, E-mail: pyreu@mail.ru [Department of Inorganic and Analytic Chemistry, Ivanovo State University, Ermak 39, Ivanovo 153025 (Russian Federation); Kozlovskii, Eugenii [Department of Inorganic and Analytic Chemistry, Ivanovo State University, Ermak 39, Ivanovo 153025 (Russian Federation); Gruzdev, Matvei; Kumeev, Roman [Institute of Solution Chemistry, Ivanovo (Russian Federation)

2012-11-20

Highlights: Black-Right-Pointing-Pointer Stable mixed ligand complexes of HgEdta with amino acids at physiological pH value. Black-Right-Pointing-Pointer The thermodynamic and NMR data evident the ambidentate coordination mode of arginine. Black-Right-Pointing-Pointer Participation of the guanidinic group of Arg in coordination process. Black-Right-Pointing-Pointer Binuclear complexes (HgEdta){sub 2}L with the bridging function of amino acid. - Abstract: The mixed-ligand complex formation in the systems Hg{sup 2+} - Edta{sup 4-} - L{sup -}(L = Arg, Orn, Ser) has been studied by means of calorimetry, pH-potentiometry and NMR spectroscopy in aqueous solution at 298.15 K and the ionic strength of I = 0.5 (KNO{sub 3}). The thermodynamic parameters of formation of the HgEdtaL, HgEdtaHL and (HgEdta){sub 2}L complexes have been determined. The most probable coordination mode for the complexone and the amino acid in the mixed-ligand complexes was discussed.

Complexes in solution of o-phenanthroline with the ions of 4f and 5f elements at valencies II, III, V, VI

International Nuclear Information System (INIS)

Le Marois, Gilles.

1980-06-01

Slight differences between the complexation in aqueous solution of 4f and 5f series ions are revealed by the use of a soft, aromatic and chelating ligand of the o-phenanthroline type. Trivalent actinide ions are extrated selectively in the presence of a carboxylic acid. This extraction takes place at high pH and does not require large quantities of salts in aqueous solution, which increase the volume of radioactive wastes for storage. Only the first two o-phenanthroline complexes of these ions are obtained in aqueous solution. Determination of the constants of formation of such complexes shows the stronger affinity of the ligand for actinide ions. An inversion of the usual order of complexation of the different actinide valencies is also observed: pentavalent ions are most complexed than trivalent, o-phenanthroline stabilises actinide ions preferentially because they are more liable to form bonds with delocalised electrons. Finally a slight stabilisation of europium at valency II shows the participation of electrons by back bonding of the metal, due to the strong conjugation of the ligand π electrons [fr

One Problem, Many Solutions : Simple Statistical Approaches Help Unravel the Complexity of the Immune System in an Ecological Context

NARCIS (Netherlands)

Buehler, Deborah M.; Versteegh, Maaike A.; Matson, Kevin D.; Tieleman, Irene

2011-01-01

The immune system is a complex collection of interrelated and overlapping solutions to the problem of disease. To deal with this complexity, researchers have devised multiple ways to measure immune function and to analyze the resulting data. In this way both organisms and researchers employ many

One problem, many solutions: simple statistical approaches help unravel the complexity of th eimmune system in an ecological context

NARCIS (Netherlands)

Buehler, D.M.; Versteegh, M.A.; Matson, K.D.; Tieleman, B.I.

2011-01-01

The immune system is a complex collection of interrelated and overlapping solutions to the problem of disease. To deal with this complexity, researchers have devised multiple ways to measure immune function and to analyze the resulting data. In this way both organisms and researchers employ many

Critical Parameters of Complex Geometries of Intersecting Cylinders Containing Uranyl Nitrate Solution

International Nuclear Information System (INIS)

Rothe, R. E.

1999-01-01

About three dozen previously unreported critical configurations are presented for very complex geometries filled with high concentration enriched uranyl nitrate solution. These geometries resemble a tall, thin Central Column (or trunk of a ''tree'') having long, thin arms (or ''branches'') extending up to four directions off the column. Arms are equally spaced from one another in vertical planes, and that spacing ranges from arms in contact to quite wide spacings. Both the Central Column and the many different arms are critically safe by themselves with each, alone, is filled with fissile solution; but, in combination, criticality occurs due to the interactions between arms and the column. Such neutronic interactions formed the principal focus of this study. While these results are fresh to the nuclear criticality safety industry and to those seeking novel experiments against which to validate computer codes, the experiments, themselves, are not recent. Over 100 experiments were performed at the Rocky Flats Critical Mass Laboratory between September, 1967, and February of the following year

EPR study of complex formation between copper (II) ions and sympathomimetic amines in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Preoteasa, E.A. [Inst. of Atomic Physics, IFIN, Bucharest (Romania); Duliu, O.G.; Grecu, V.V. [Bucharest, Univ. (Romania). Dept. of Atomic and Nuclear Physics

1997-07-01

The complex formation between sympathomimetic amines (SA): adrenaline (AD), noradrenaline (NA), dopamine (DA), ephedrine (ED) and p-tyramine (pTA), and Cu(II) ion in aqueous solution has been studied by X-band EPR at room temperature. Excepting pTA, all investigated SA yielded two types of complexes in different pH domains. All complexes consistent with a ligand fields having a distorted octahedral symmetry, i.e., hexacoordination of Cu(II). The covalence coefficient calculated from the isotropic g and A values has shown strong ionic sigma-type ligand bonds. A structural model with the Cu(II) ion bound by four catecholic O(hydroxy) atoms for the low pH complexes of AD, NA and DA is proposed. For the high pH complexes of the former compounds as well as for both Ed complexes, the authors suppose Cu(II) bound by two N (amino) and two O (hydroxy) atoms. The spectra are consistent to water binding on the longitudinal octahedron axis in all compounds excepting the high pH complex of Ed, where OH2- ions are bound. Possible implications for the SA-cell receptors interactions are discussed.

Theoretical predictions of hydrolysis and complex formation of group-4 elements Zr, Hf and Rf in HF and HCl solutions

International Nuclear Information System (INIS)

Pershina, V.; Trubert, D.; Le Naour, C.; Kratz, J.V.

2002-01-01

Fully relativistic molecular density-functional calculations of the electronic structures of hydrated, hydrolyzed and fluoride/chloride complexes have been performed for group-4 elements Zr, Hf, and element 104, Rf. Using the electronic density distribution data, relative values of the free energy change for hydrolysis and complex formation reactions were defined. The results show the following trend for the first hydrolysis step of the cationic species: Zr>Hf>Rf in agreement with experiments. For the complex formation in HF solutions, the trend to a decrease from Zr to Hf is continued with Rf, provided no hydrolysis takes place. At pH>0, further fluorination of hydrolyzed species or fluoro-complexes has an inversed trend in the group Rf≥Zr>Hf, with the difference between the elements being very small. For the complex formation in HCl solutions, the trend is continued with Rf, so that Zr>Hf>Rf independently of pH. A decisive energetic factor in hydrolysis or complex formation processes proved to be a predominant electrostatic metal-ligand interaction. Trends in the K d (distribution coefficient) values for the group-4 elements are expected to follow those of the complex formation

The number of zero solutions for complex canonical differential equation of second order with constant coefficients in the first quadrant

Directory of Open Access Journals (Sweden)

Vujaković Jelena

2016-01-01

Full Text Available The study of complex differential equations in recent years has opened up some of questions concerning the determination of the frequency of zero solutions, the distribution of zero, oscillation of the solution, asymptotic behavior, rank growth and so on. Besides, this is solved by only some classes of differential equations. In this paper, our aim was to determine the number of zeros and their arrangement in the first quadrant, for the complex canonical differential equation of the second order. The accuracy of our results, we illustrate with two examples.

Approximate solutions for the two-dimensional integral transport equation. Solution of complex two-dimensional transport problems

International Nuclear Information System (INIS)

Sanchez, Richard.

1980-11-01

This work is divided into two parts: the first part deals with the solution of complex two-dimensional transport problems, the second one (note CEA-N-2166) treats the critically mixed methods of resolution. A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the interface current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding, and water, or homogenized structural material. The cells are divided into zones that are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is effected by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: CALLIOPE uses a cylindrical cell model and one or three terms for the flux expansion, and NAUSICAA uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes, one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark problems and by calculations performed in the APOLLO multigroup code [fr

Two-Level Solutions to Exponentially Complex Problems in Glass Science

DEFF Research Database (Denmark)

Mauro, John C.; Smedskjær, Morten Mattrup

Glass poses an especially challenging problem for physicists. The key to making progress in theoretical glass science is to extract the key physics governing properties of practical interest. In this spirit, we discuss several two-level solutions to exponentially complex problems in glass science....... Topological constraint theory, originally developed by J.C. Phillips, is based on a two-level description of rigid and floppy modes in a glass network and can be used to derive quantitatively accurate and analytically solvable models for a variety of macroscopic properties. The temperature dependence...... that captures both primary and secondary relaxation modes. Such a model also offers the ability to calculate the distinguishability of particles during glass transition and relaxation processes. Two-level models can also be used to capture the distribution of various network-forming species in mixed...

A DFT/TDDFT study of the structural and spectroscopic properties of Al(III) complexes with 4-nitrocatechol in acidic aqueous solution

International Nuclear Information System (INIS)

Cornard, Jean-Paul; Lapouge, Christine; Merlin, Jean-Claude

2007-01-01

The complexation of 4-nitrocatechol in aqueous solution at pH 5 has been studied by molecular spectroscopy combined with quantum chemical calculations. In these physico-chemical conditions, the formation of the two complexes [4ncatAl(H 2 O) 4 ] + and [(4ncat) 2 Al(H 2 O) 2 ] - has been highlighted. The electronic absorption spectra of the 1:1 and 1:2 complexes of Al(III) with 4-nitrocatechol have been computed using the time-dependent density functional theory and the polarizable continuum model. It turns out that the 6-311+G(d,p) basis set provides a good agreement between experimental and theoretical absorption spectra. This good agreement has allowed the determination of the preferential conformation of the 1:2 complex in aqueous solution. A complete assignment of the UV-Vis absorption and Raman spectra of the complexes has been proposed

Synthesis, solid and solution studies of paraquat dichloride calixarene complexes. Molecular modelling

International Nuclear Information System (INIS)

Garcia S, I.; Ramirez, F. M.

2010-01-01

The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, 1 H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-π interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac procedures, were in agreement with the experimental findings. (Author)

Synthesis, solid and solution studies of paraquat dichloride calixarene complexes. Molecular modelling

Energy Technology Data Exchange (ETDEWEB)

Garcia S, I.; Ramirez, F. M., E-mail: flor.ramirez@inin.gob.m [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

2010-07-01

The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, {sup 1}H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-{pi} interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac procedures, were in agreement with the experimental findings. (Author)

Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices.

Science.gov (United States)

Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming

2015-08-01

The synthesis and spectroscopic properties of luminescent tetranuclear zinc(ii) complexes of substituted 7-azaindoles and a series of luminescent copper(i) complexes containing 7,8-bis(diphenylphosphino)-7,8-dicarba- nido -undecaborate ligand are described. These complexes are stable towards air and moisture. Thin film samples of the luminescent copper(i) complexes in 2,6-dicarbazolo-1,5-pyridine and zinc(ii) complexes in poly(methyl methacrylate) showed emission quantum yields of up to 0.60 (for Cu-3 ) and 0.96 (for Zn-1 ), respectively. Their photophysical properties were examined by ultrafast time-resolved emission spectroscopy, temperature dependent emission lifetime measurements and density functional theory calculations. Monochromic blue and orange solution-processed OLEDs with these Zn(ii) and Cu(i) complexes as light-emitting dopants have been fabricated, respectively. Maximum external quantum efficiency (EQE) of 5.55% and Commission Internationale de l'Eclairage (CIE) coordinates of (0.16, 0.19) were accomplished with the optimized Zn-1 -OLED while these values were, respectively 15.64% and (0.48, 0.51) for the optimized Cu-3 -OLED. Solution-processed white OLEDs having maximum EQE of 6.88%, CIE coordinates of (0.42, 0.44), and colour rendering index of 81 were fabricated by using these luminescent Zn(ii) and Cu(i) complexes as blue and orange light-emitting dopant materials, respectively.

Investigation of complexing in solutions of salt mixture In(NO3)3-NaVO3

International Nuclear Information System (INIS)

Nakhodnova, A.N.; Listratenko, I.V.

1987-01-01

Spectrophotometry, conductometry and pH-metry are used to investigate properties and composition of the solid phases of isomolar series of In(NO 3 ) 3 -NaVO 3 salt mixture solutions and series of solutions having constant concentration of one of the components and varied of the other. Results of investigation are presented. It is stated that in the investigated solution series in weakly acid media HPA with the ratios [In 3+ ]:[V 5+ ] being equal to 11:1, 6:1, and 1:9, are formed. Composition of the complexes is mainly defined by the ratio of the components in In(NO 3 ) 3 and NaVO 3 salt mixture solutions and the medium acidity. Compounds of Na 2 OxIn 2 O 3 x2.5V 2 O 5 x8.5H 2 O and Cs 2 OxIn 2 O 3 x6V 2 O 5 x6.5H 2 O empirical formulae are separated. Results of IR spectroscopy, derivatography and X-ray phase analysis of the corresponding salts are presented

Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.

Science.gov (United States)

Nagata, Maika K C T; Brauchle, Paul S; Wang, Sen; Briggs, Sarah K; Hong, Young Soo; Laorenza, Daniel W; Lee, Andrea G; Westmoreland, T David

2016-08-16

Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl 2 •3H 2 O, [Ni(DOTAM)]Cl 2 •4H 2 O, and [Cu(DOTAM)](ClO 4 ) 2 •H 2 O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)] 2+ complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)] 2+ , [Ni(DOTAM)] 2+ , and [Zn(DOTAM)] 2+ are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)] 2+ and [Ca(DOTAM)] 2+ are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)] 2+ , which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.

Thermodynamics of mixed-ligand complex formation of zinc nitrilotriacetate with amino acids and dipeptides in solution

International Nuclear Information System (INIS)

Pyreu, Dmitrii; Gruzdev, Matvey; Kumeev, Roman; Gridchin, Sergei

2014-01-01

Highlights: • Stable mixed ligand complexes of ZnNta with amino acids and dipeptides. • Histamine-like coordination mode of His in the complex ZnNtaHis. • Glycine-like coordination of Lys and Orn in the complexes ZnNtaL and ZnNtaHL • NH 2 , CO-coordination mode of GlyGly in the complex ZnNtaGG. • NH 2 , N − or NH2, N − , COO-coordination modes of GlyGly in the complex ZnNtaGGH −1 . - Abstract: The isothermal calorimetry, pH-potentiometric titration and 1 H and 13 C NMR methods has been used to study the mixed-ligand complex formation in the systems Zn 2+ –Nta 3– –L − (L = His, Orn, Lys, GlyGly, AlaAla) in aqueous solution at 298.15 K and the ionic strength of I = 0.5 (KNO 3 ). The thermodynamic parameters of formation of the mixed complexes have been determined. The relationship between the probable coordination modes of the complexone and amino acid or dipeptide molecules in the mixed-ligand complex and the thermodynamic parameters has been discussed

Thermodynamics of mixed-ligand complex formation of zinc nitrilotriacetate with amino acids and dipeptides in solution

Energy Technology Data Exchange (ETDEWEB)

Pyreu, Dmitrii, E-mail: pyreu@mail.ru [Department of Inorganic and Analytic Chemistry, Ivanovo State UniversityErmak 39, Ivanovo 153025 (Russian Federation); Gruzdev, Matvey; Kumeev, Roman [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation); Gridchin, Sergei [Ivanovo State University of Chemistry and Technology, Ivanovo (Russian Federation)

2014-10-20

Highlights: • Stable mixed ligand complexes of ZnNta with amino acids and dipeptides. • Histamine-like coordination mode of His in the complex ZnNtaHis. • Glycine-like coordination of Lys and Orn in the complexes ZnNtaL and ZnNtaHL • NH{sub 2}, CO-coordination mode of GlyGly in the complex ZnNtaGG. • NH{sub 2}, N{sup −} or NH2, N{sup −}, COO-coordination modes of GlyGly in the complex ZnNtaGGH{sub −1}. - Abstract: The isothermal calorimetry, pH-potentiometric titration and {sup 1}H and {sup 13}C NMR methods has been used to study the mixed-ligand complex formation in the systems Zn{sup 2+}–Nta{sup 3–}–L{sup −} (L = His, Orn, Lys, GlyGly, AlaAla) in aqueous solution at 298.15 K and the ionic strength of I = 0.5 (KNO{sub 3}). The thermodynamic parameters of formation of the mixed complexes have been determined. The relationship between the probable coordination modes of the complexone and amino acid or dipeptide molecules in the mixed-ligand complex and the thermodynamic parameters has been discussed.

Removal of Lead Hydroxides Complexes from Solutions Formed in Silver/Gold: Cyanidation Process

Science.gov (United States)

Parga, José R.; Martinez, Raul Flores; Moreno, Hector; Gomes, Andrew Jewel; Cocke, David L.

2014-04-01

The presence of lead hydroxides in "pregnant cyanide solution" decreases the quality of the Dore obtained in the recovery processes of gold and silver, so it is convenient to remove them. The adsorbent capacity of the low cost cow bone powder was investigated for the removal of lead ions from a solution of lead hydroxide complexes at different initial metal ion concentrations (10 to 50 mg/L), and reaction time. Experiments were carried out in batches. The maximum sorption capacity of lead determined by the Langmuir model was found to be 126.58 mg/g, and the separation factor R L was between 0 and 1, indicating a significant affinity of bone for lead. Experimental data follow pseudo-second order kinetics suggesting chemisorption. It is concluded that cow bone powder can be successfully used for the removal of lead ions, and improves the quality of the silver-gold cyanides precipitate.

Study of ruthenium complexation by 22' bipyridine in nitric aqueous solutions

International Nuclear Information System (INIS)

Alozy, J.P.

1982-01-01

Substitution of the NO 3- , NO + ions of RuNO(NO 3 )x.yH 2 Osup((3-x)+) complexes by 22'bipyridine (bipy) in nitric aqueous solution was studied by spectrophotometry. In the absence of reducing agent we observe the species RuNO(bipy)(NO3)sub(z)sup((3-z)+) and RuNO(bipy) 2 NO 3 2 + . Most reducing agents give rise to the RuNO(bipy) 2 NO 3 2 + + e → RuNO(bipy) 2 NO 3+ reaction. The oxydation potential of the reversible couple RuNO(bipy) 2 NO 3 2 + /RuNO(bipy) 2 NO 3+ was measured by cyclic voltamperometry at the platinum electrode. Its value is + 1.02 V/NHE. Substitution of NO + ions by a (bipy) molecule is only possible in the presence of reducing agents of apparent formal potential below + 0.5 V/NHE, and anti-nitrite agents are also needed; these two functions can be fulfilled by hydrazine and ascorbic acid. The presence of HSO 3 NH 2 was necessary to obtain the substitution of NO + and NO 3- by bipy during electrochemical reductions. The intermediate complexes RuNO(bipy) 2 NO 3 2 + and RuNO(bipy) 2 NO 3+ probably include two bipy molecules in the trans position whereas RuNO(bipy) 2 2 + complexes, where the sixth coordination position is occupied by π donors stronger than NO 3- , have two bipy molecules in the cis position [fr

Characterization of amorphous yttria layers deposited by aqueous solutions of Y-chelate alkoxides complex

Energy Technology Data Exchange (ETDEWEB)

Kim, Young-Soon, E-mail: kyscjb@i-sunam.com; Lee, Yu-Ri; Kim, Byeong-Joo; Lee, Jae-Hun; Moon, Seung-Hyun; Lee, Hunju

2015-01-15

Highlights: • Economical method for crack-free amorphous yttria layer deposition by dip coating. • Simpler process for planar yttria film as a diffusion barrier and nucleation layer. • Easy control over the film properties with better characteristics. • Easy control over the thickness of the deposited films. • A feasible process that can be easily adopted by HTSCC industries. - Abstract: Crack-free amorphous yttria layers were deposited by dip coating in solutions of different Y-chelate alkoxides complex. Three Y-chelate solutions of different concentrations were prepared using yttrium acetate tetrahydrate, yttrium stearic acid as Y source materials. PEG, diethanolamine were used as chelating agents, while ethanol, methanol and tetradecane were used as solvent. Three different combinations of chelating and solvents were used to prepare solutions for Y{sub 2}O{sub 3} dip coating on SUS, electropolished and non-electropolished Hastelloy C-276 substrates. The thickness of the films was varied by changing the number of dipping cycles. At an optimized condition, the substrate surface roughness (rms) value was reduced from ∼50 nm to ∼1 nm over a 10 × 10 μm{sup 2} area. After Y{sub 2}O{sub 3} deposition, MgO was deposited using ion-beam assisted deposition (IBAD), then LaMnO{sub 3} (LMO) was deposited using sputtering and GdBCO was deposited using reactive co-evaporation by deposition and reaction (RCE-DR). Detailed X-ray study indicates that LMO/MgO/Y{sub 2}O{sub 3} and GdBCO/LMO/MgO/Y{sub 2}O{sub 3} stack films have good out-of-plane and in-plane textures with strong c-axis alignment. The critical current (Ic) of GdBCO/LMO/MgO/Y{sub 2}O{sub 3} multilayer structure varied from 190 to 420 A/cm with different solutions, when measured at 77 K. These results demonstrated that amorphous yttria can be easily deposited by dip coating using Y-chelates complex as a diffusion barrier and nucleation layer.

Complexation of rhodium(II) tetracarboxylates with aliphatic diamines in solution: 1H and 13C NMR and DFT investigations.

Science.gov (United States)

Jaźwiński, Jarosław; Sadlej, Agnieszka

2013-10-01

The complexation of rhodium(II) tetraacetate, tetrakistrifluoroaceate and tetrakisoctanoate with a set of diamines (ethane-1,diamine, propane-1,3-diamine and nonane-1,9-diamine) and their N,N'-dimethyl and N,N,N',N'-tetramethyl derivatives in chloroform solution has been investigated by (1) H and (13) C NMR spectroscopy and density functional theory (DFT) modelling. A combination of two bifunctional reagents, diamines and rhodium(II) tetracarboxylates, yielded insoluble coordination polymers as main products of complexation and various adducts in the solution, being in equilibrium with insoluble material. All diamines initially formed the 2 : 1 (blue), (1 : 1)n oligomeric (red) and 1 : 2 (red) axial adducts in solution, depending on the reagents' molar ratio. Adducts of primary and secondary diamines decomposed in the presence of ligand excess, the former via unstable equatorial complexes. The complexation of secondary diamines slowed down the inversion at nitrogen atoms in NH(CH3 ) functional groups and resulted in the formation of nitrogenous stereogenic centres, detectable by NMR. Axial adducts of tertiary diamines appeared to be relatively stable. The presence of long aliphatic chains in molecules (adducts of nonane-1,9-diamines or rhodium(II) tetrakisoctanoate) increased adduct solubility. Hypothetical structures of the equatorial adduct of rhodium(II) tetraacetate with ethane-1,2-diamine and their NMR parameters were explored by means of DFT calculations. Copyright © 2013 John Wiley & Sons, Ltd.

Critical Parameters of Complex Geometries of Intersecting Cylinders Containing Uranyl Nitrate Solution

Energy Technology Data Exchange (ETDEWEB)

J. B. Briggs (INEEL POC); R. E. Rothe

1999-06-14

About three dozen previously unreported critical configurations are presented for very complex geometries filled with high concentration enriched uranyl nitrate solution. These geometries resemble a tall, thin Central Column (or trunk of a ''tree'') having long, thin arms (or ''branches'') extending up to four directions off the column. Arms are equally spaced from one another in vertical planes, and that spacing ranges from arms in contact to quite wide spacings. Both the Central Column and the many different arms are critically safe by themselves with each, alone, is filled with fissile solution; but, in combination, criticality occurs due to the interactions between arms and the column. Such neutronic interactions formed the principal focus of this study. While these results are fresh to the nuclear criticality safety industry and to those seeking novel experiments against which to validate computer codes, the experiments, themselves, are not recent. Over 100 experiments were performed at the Rocky Flats Critical Mass Laboratory between September, 1967, and February of the following year.

Thermodynamic Characteristics of Reactions of the Formation of Complexes between Triglycine and Ni2+ Ions in Aqueous Solution

Science.gov (United States)

Gorboletova, G. G.; Metlin, A. A.; Bychkova, S. A.

2018-05-01

Thermal effects of reactions of the formation of complexes between Ni(II) and triglycine are determined via direct calorimetry in aqueous solutions at 298.15 K and ionic strengths of 0.2, 0.5, and 1.0 (KNO3). Standard thermodynamic characteristics (Δr H°, Δr G°, Δr S°) of complexing processes in the investigated systems are calculated. The structures of triglycinate complexes NiL+, NiH-1L, NiL2, NiH-2L2- 2, NiL- 3, and NiH-3L4- 3 are introduced to compare the obtained values and data on the thermodynamics of triglycinate complexes of Ni(II).

Intelligent monitoring and fault diagnosis for ATLAS TDAQ: a complex event processing solution

CERN Document Server

Magnoni, Luca; Luppi, Eleonora

Effective monitoring and analysis tools are fundamental in modern IT infrastructures to get insights on the overall system behavior and to deal promptly and effectively with failures. In recent years, Complex Event Processing (CEP) technologies have emerged as effective solutions for information processing from the most disparate fields: from wireless sensor networks to financial analysis. This thesis proposes an innovative approach to monitor and operate complex and distributed computing systems, in particular referring to the ATLAS Trigger and Data Acquisition (TDAQ) system currently in use at the European Organization for Nuclear Research (CERN). The result of this research, the AAL project, is currently used to provide ATLAS data acquisition operators with automated error detection and intelligent system analysis. The thesis begins by describing the TDAQ system and the controlling architecture, with a focus on the monitoring infrastructure and the expert system used for error detection and automated reco...

Approximate analytical solutions in the analysis of elastic structures of complex geometry

Science.gov (United States)

Goloskokov, Dmitriy P.; Matrosov, Alexander V.

2018-05-01

A method of analytical decomposition for analysis plane structures of a complex configuration is presented. For each part of the structure in the form of a rectangle all the components of the stress-strain state are constructed by the superposition method. The method is based on two solutions derived in the form of trigonometric series with unknown coefficients using the method of initial functions. The coefficients are determined from the system of linear algebraic equations obtained while satisfying the boundary conditions and the conditions for joining the structure parts. The components of the stress-strain state of a bent plate with holes are calculated using the analytical decomposition method.

Synthesis of titanium oxide nanoparticles using DNA-complex as template for solution-processable hybrid dielectric composites

Energy Technology Data Exchange (ETDEWEB)

Ramos, J.C. [Center for Sustainable Materials Chemistry, 153 Gilbert Hall, Oregon State University, Corvallis, OR (United States); Mejia, I.; Murphy, J.; Quevedo, M. [Department of Materials Science and Engineering, University of Texas at Dallas, Dallas, TX (United States); Garcia, P.; Martinez, C.A. [Engineering and Technology Institute, Autonomous University of Ciudad Juarez, Ciudad Juarez, Chihuahua (Mexico)

2015-09-15

Highlights: • We developed a synthesis method to produce TiO{sub 2} nanoparticles using a DNA complex. • The nanoparticles were anatase phase (~6 nm diameter), and stable in alcohols. • Composites showed a k of 13.4, 4.6 times larger than the k of polycarbonate. • Maximum processing temperature was 90 °C. • Low temperature enables their use in low-voltage, low-cost, flexible electronics. - Abstract: We report the synthesis of TiO{sub 2} nanoparticles prepared by the hydrolysis of titanium isopropoxide (TTIP) in the presence of a DNA complex for solution processable dielectric composites. The nanoparticles were incorporated as fillers in polycarbonate at low concentrations (1.5, 5 and 7 wt%) to produce hybrid dielectric films with dielectric constant higher than thermally grown silicon oxide. It was found that the DNA complex plays an important role as capping agent in the formation and suspension stability of nanocrystalline anatase phase TiO{sub 2} at room temperature with uniform size (∼6 nm) and narrow distribution. The effective dielectric constant of spin-cast polycarbonate thin-films increased from 2.84 to 13.43 with the incorporation of TiO{sub 2} nanoparticles into the polymer host. These composites can be solution processed with a maximum temperature of 90 °C and could be potential candidates for its application in low-cost macro-electronics.

Self-assembly of a helical zinc-europium complex: speciation in aqueous solution and luminescence

Directory of Open Access Journals (Sweden)

Emmanuel eDeiters

2013-09-01

Full Text Available Two new tridentate(NNO-bidentate(NN compartmental ligands, HL5 and HL6, are synthesized from pyridine and benzimidazole synthons. They react in aqueous solution under physiological conditions with ZnII, LnIII, or a mixture thereof, to yield complexes of different stoichiometries, 1:3, 2:2, 2:3, 1:1:3, the speciation of which is established by UV-visible titrations and ESI mass spectrometry. Photophysical studies of the EuIII-containing solutions in Tris-HCl 0.1 M (pH = 7.4 show that lanthanide luminescence arises from a unique N6O3 coordination site with pseudo D3 symmetry. Relevant parameters such as crystal field splitting, lifetime, radiative lifetime and intrinsic quantum yield perfectly match those reported for dinuclear 4f-4f helicates in which the EuIII ion has the same coordination environment.

Contribution of electro-spray mass spectrometry to the study of the organic species and metal-ligand complexes in solution

International Nuclear Information System (INIS)

Berthon, L.; Piveteau, B.

2000-01-01

Electro-spray ionization mass spectrometry (ESI-MS) has quickly become a versatile method of qualitative analysis of a wide variety of species in solution. This technique (with positive and negative ionization modes) is used to analyze organic solutions in the frame of the DIAMEX process. Degraded solvent had been studied without any preliminary sample treatment (separation or derivation) and neutral complexes 'uranyl nitrate - malonamide' had been observed. (authors)

Limitations when use chloramphenicol-bcyclodextrins complexes in ophtalmic solutions buffered with boric acid/borax system

OpenAIRE

Todoran Nicoleta; Ciurba Adriana; Rédai Emőke; Ion V.; Lazăr Luminița; Sipos Emese

2014-01-01

Chloramphenicol eye drops are commonly prescribed in concentrations of 0.5-1% in the treatment of infectious conjunctivitis. In terms of ophthalmic solution preparation, the major disadvantage of chloramphenicol consists in its low solubility in water. The solubility is increased by substances that form chloramphenicol-complexes, for example: boric acid/borax or cyclodextrins. Objective: Experimental studies aimed to evaluate the potential advantages of enhancing the solubility and stability ...

Thermodynamic study of charge-transfer complex of iodine with HT18C6 in chloroform solution

Directory of Open Access Journals (Sweden)

Mahmoud Javadian Jazi

2008-08-01

Full Text Available A spectrophotometric study concerning the interaction between HT18C6 as n-donor and I2 as σ-acceptor has been performed in chloroform solution at different temperatures. The results are indicative of the formation 1:1 complex through equilibrium reaction. The stability constant of the complex at 7, 13, 19 and 25 oC is obtained by the computer-fitting of absorbance-mole ratio data in MATLAB software. The ΔHo and ΔSo values are obtained by the Vant Hoff method. The obtained data show that the complex is enthalpy stabilized and entropy destabilized. The entropy destabilitization is attributed to the decrease of the entropy of the free donor upon complexation. Comparison of the data from this work with those of previous works done on 18C6-I2 and HA18C6-I2 is indicative of different stability, stoichiometry and products. The possible reasons for such differences are discussed.

Simple addition of silica to an alkane solution of Wilkinson WMe6 or Schrock W alkylidyne complex give active complex for saturated and unsaturated hydrocarbons metathesis

KAUST Repository

Callens, Emmanuel

2015-08-24

Addition of PDA silica to a solution of the Wilkinson WMe6 as well as the Schrock W neopentilidyne tris neopentyl complex catalyzes linear or cyclic alkanes to produce respectively a distribution of linear alkanes from methane up to triacontane or a mixture of cyclic and macrocyclic hydrocarbons. This single catalytic system transforms also linear α-olefins into higher and lower homologues via isomerization/metathesis mechanism (ISOMET). This complex is also efficient towards functionalized olefins. Unsaturated fatty acid esters (FAEs) are converted into diesters corresponding to self-metathesis products.

Enhanced detection of explosives by turn-on resonance Raman upon host-guest complexation in solution and the solid state

DEFF Research Database (Denmark)

Witlicki, Edward H.; Bähring, Steffen; Johnsen, Carsten

2017-01-01

complexation occur via a mechanism of resonance between the 785 nm laser line and the strongly absorbing charge-transfer chromophore arising from the complex between electron-donating TTF-C[4]P and electron-accepting nitroaromatic explosives. The addition of chloride forms the Cl-·TTF-C[4]P complex resetting......The recognition of nitroaromatic explosives by a tetrakis-tetrathiafulvalene-calix[4]pyrrole receptor (TTF-C[4]P) yields a "turn on" and fingerprinting response in the resonance Raman scattering observed in solution and the solid state. Intensity changes in nitro vibrations with analyte...

γ-radiolysis of aqueous and aqueous-ethanol solutions of cobalt(3) cyanide complexes

International Nuclear Information System (INIS)

Kutsaev, V.G.; Potapov, I.A.; Rozenkevich, M.B.; Sakharovskij, Yu.A.; Bulgakova, G.P.; Zagorets, P.A.

1984-01-01

The method of stationary γ-radiolysis has been used to investigate Na 3 [Co 3 (CN) 6 ] and K 2 [Co 3 (CN) 5 H 2 O] reduction in aqueous solutions in the presence of NaCN, KCN, KCl and C 2 H 5 OH additions. [Co 2 (CN) 5 ] 3- ion is shown to be the product of reduction. Radiation-chemical yield increases in the presence of alkali metal cyanides and large quantities (10-20 vol.%) of C 2 H 5 OH. Energy consumption for radiation-chemical reduction of Co 3 cyanide complexes is 50 times lower than for photochemical one

Complexation of trivalent cationic lanthanides by N.O donor ligands: physico-chemical studies of the association and selectivity in solution

International Nuclear Information System (INIS)

Bravard, F.

2004-01-01

The aim of this work is to study the complexation of f-elements in solution by ligands incorporating N-heterocyclic donors. These ligands display interesting properties for the selective separation of An(III)/Ln(III) have been studied to obtain a better understanding of the coordination properties with f-elements and to develop more selective extractants. The hepta-dentate ligand tpaam shows an affinity for Ln(III) similar to the tetradentate ligand tpa in water even when the three additional amide groups are bonded to the metal. Even though the complexation with tpa is exothermic, that with tpaam is endothermic with a more positive entropy. The dehydration of the cation disfavours the formation of Ln(III) complexes with ligands containing weak donors. The analysis of the solution paramagnetic relaxation times of the tpaam complexes is in agreement with data in the solid-state. There is little difference between the formation constants of the Ln 3+ complexes with different ligands (tpaam, tpzen, tpa and tpza) as determined by UV-vis spectrophotometry in anhydrous acetonitrile. The limitations encountered during this study are intrinsic to the ligands studied. The preliminary study of two tetrapodal ligands containing acid and pyridine groups (L py )or pyrazine (L pz ) show the formation of 1:1 complexes in water. Analysis of the formation constants of the corresponding Gd(III) complexes shows that replacement of a pyridine group by pyrazine result in a loss of stability of 1.6 logarithmic units. (author) [fr

Study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel

International Nuclear Information System (INIS)

Ismailova, M.M.; Egorova, L.A.; Khamidov, B.O.

1993-01-01

Present article is devoted to study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel. The condition of cobalt in various rate of oxidation in acrylamide aqueous solutions was studied. The concentration conditions of stability of system Co(II)-Co(III) were defined. The composition of coordination compounds of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel was determined.

Adsorption of Nucleic Acid/Protein Supramolecular Complexes on Goethite: The Influence of Solution Interactions on Behavior at the Solution-Mineral Interface

Science.gov (United States)

Schmidt, M.; Martinez, C. E.

2017-12-01

Adsorption of biomolecule rich supramolecular complexes onto mineral surfaces plays an important role in the development of organo-mineral associations in soils. In this study, a series of supramolecular complexes of a model nucleic acid (deoxyribonucleic acid (DNA)) and protein (bovine serum albumin (BSA)) are synthesized, characterized and exposed to goethite to probe their adsorption behavior. To synthesize DNA/BSA complexes, a fixed DNA concentration (0.1 mg/mL) was mixed with a range of BSA concentrations (0.025-0.5 mg/mL) in 5 mM KCl at pH=5.0. Circular dichroism spectroscopy demonstrates strong, cooperative, Hill-type binding between DNA and BSA (Ka= 4.74 x 105 M-1) with DNA saturation achieved when BSA concentration reaches 0.4 mg/mL. Dynamic light scattering measurements of DNA/BSA complexes suggest binding accompanies disruption of DNA-DNA intermolecular electrostatic repulsion, resulting in a decrease of the DNA slow relaxation mode with increasing amount of BSA. Zeta potential measurements show increasing amounts of BSA lead to a reduction of negative charge on DNA/BSA complexes, in line with light scattering results. In situ attenuated total reflectance Fourier transform infrared spectroscopic studies of adsorption of DNA/BSA complexes onto goethite show that complexation of BSA with DNA appears to hinder direct coordination of DNA backbone phosphodiester groups with goethite, relative to DNA by itself. Furthermore, increasing amount of BSA (up to 0.4 mg/mL) in DNA/BSA complexes enhances DNA adsorption, possibly as a result of reduced repulsion between adsorbed DNA helices. When BSA concentration exceeds 0.4 mg/mL, a decrease in adsorbed DNA is observed. We hypothesize that this discrepancy in behavior between systems with BSA concentrations below and above saturation of DNA is caused by initial fast adsorption of loosely associated BSA on goethite, restricting access to goethite surface sites. Overall, these results highlight the impact of solution

Study of complex formation between C18H36N2O6 and UO22+ cation in some binary mixed non-aqueous solutions

Directory of Open Access Journals (Sweden)

G.H. Rounaghi

2017-02-01

Full Text Available The complexation reaction between UO22+ cation and the macrobicyclic ligand C18H36N2O6 was studied in acetonitrile–dimethylformamide (AN–DMF, acetonitrile–tetrahydrofuran (AN–THF, acetonitrile–dichloromethane (AN–DCM binary solvent solutions at different temperatures using the coductometric method. In most cases, C18H36N2O6 forms a 1:1 [M:L] complex with the UO22+ cation. But in some of the studied solvent systems, in addition to formation of a 1:1 complex, a 1:2 [M:L2] complex is formed in solution. A non-linear behavior was observed for changes of logKf of the (C18H36N2O6·UO22+ complex versus the composition of the binary mixed solvents. The sequence of the stability of the (C18H36N2O6·UO22+ complex in pure solvent systems at 25 °C decreases in the order: AN > THF > DMF. In the case of binary solvent solutions, the stability constant of the complex at 25 °C was found to be: AN–DCM > AN–THF > AN–DMF. The values of thermodynamic quantities (ΔSc°,ΔHc°, for the formation of the complex were obtained from temperature dependence of the stability constant of the complex using the van't Hoff plots. The results show that in all cases, the complex is both entropy and enthalpy stabilized and both of these parameters are affected by the nature and composition of the mixed solvent systems.

Solid state and solution photoluminescence properties of a novel meso–meso-linked porphyrin dimer Schiff base ligand and its metal complexes

Energy Technology Data Exchange (ETDEWEB)

Tümer, Mehmet, E-mail: mtumer@ksu.edu.tr; Ali Güngör, S.; Raşit Çiftaslan, A.

2016-02-15

We prepared novel meso-meso linked 4-bromo-2,6-bis[5-(4-iminophenyl)-10,15,20-triphenylporphyrin]phenol (HL) and its Cu(II), Fe(III), Mn(III), Pt(II) and Zn(II) transition metal complexes. Structural characterizations of the ligand (HL) and its metal complexes were done by the spectroscopic and analytical methods. The electronic absorption and photoluminescence spectra of the ligand, its metal complexes and the metal salts used for preparing of the complexes were investigated in the solid and solution state. The emission and excitation data of the CuCl{sub 2}·2H{sub 2}O in both solid and the solution state were obsrved in the longest wavelenght. On the other hand, the emission value of the ZnCl{sub 2} salt was shown at the shortest wavelenght. The emission values of the [LCu{sub 4}Cl{sub 3}(H{sub 2}O){sub 2}]H{sub 2}O and LPt{sub 4}Cl{sub 3} complexes in the solid state are bigger than the other metal salts. The ligand and its metal complexes show the very interesting absorption spectral properties in the solid state. Metal complexes have less number Q bands in the solid state. The electrochemical properties of the ligand and its metal complexes were investigated and found that they show the reversible or irreversible redox processes at the different scan rates. Thermal properties of the compopunds were investigated in the 20–900 °C temperature range.

Chitosan-silica complex membranes from sulfonic acid functionalized silica nanoparticles for pervaporation dehydration of ethanol-water solutions.

Science.gov (United States)

Liu, Ying-Ling; Hsu, Chih-Yuan; Su, Yu-Huei; Lai, Juin-Yih

2005-01-01

Nanosized silica particles with sulfonic acid groups (ST-GPE-S) were utilized as a cross-linker for chitosan to form a chitosan-silica complex membranes, which were applied to pervaporation dehydration of ethanol-water solutions. ST-GPE-S was obtained from reacting nanoscale silica particles with glycidyl phenyl ether, and subsequent sulfonation onto the attached phenyl groups. The chemical structure of the functionalized silica was characterized with FTIR, (1)H NMR, and energy-dispersive X-ray. Homogeneous dispersion of the silica particles in chitosan was observed with electronic microscopies, and the membranes obtained were considered as nanocomposites. The silica nanoparticles in the membranes served as spacers for polymer chains to provide extra space for water permeation, so as to bring high permeation rates to the complex membranes. With addition of 5 parts per hundred of functionalized silica into chitosan, the resulting membrane exhibited a separation factor of 919 and permeation flux of 410 g/(m(2) h) in pervaporation dehydration of 90 wt % ethanol aqueous solution at 70 degrees C.

The Mechanism of Redox Reaction between Palladium(II Complex Ions and Potassium Formate in Acidic Aqueous Solution

Directory of Open Access Journals (Sweden)

Wojnicki M.

2017-06-01

Full Text Available The kinetics studies of redox reaction between palladium(II chloride complex ions and potassium formate in acidic aqueous solutions was investigated. It was shown, that the reduction reaction of Pd(II is selective in respect to Pd(II complex structure. The kinetic of the process was monitored spectrophotometrically. The influence of chloride ions concentration, Pd(II initial concentration, reductant concentration, ionic strength as well as the temperature were investigated in respect to the process dynamics. Arrhenius equation parameters were determined and are equal to 65.8 kJ/mol, and A = 1.12×1011 s−1.

Comparative density functional study of the complexes [UO2(CO3)3]4- and [(UO2)3(CO3)6]6- in aqueous solution.

Science.gov (United States)

Schlosser, Florian; Moskaleva, Lyudmila V; Kremleva, Alena; Krüger, Sven; Rösch, Notker

2010-06-28

With a relativistic all-electron density functional method, we studied two anionic uranium(VI) carbonate complexes that are important for uranium speciation and transport in aqueous medium, the mononuclear tris(carbonato) complex [UO(2)(CO(3))(3)](4-) and the trinuclear hexa(carbonato) complex [(UO(2))(3)(CO(3))(6)](6-). Focusing on the structures in solution, we applied for the first time a full solvation treatment to these complexes. We approximated short-range effects by explicit aqua ligands and described long-range electrostatic interactions via a polarizable continuum model. Structures and vibrational frequencies of "gas-phase" models with explicit aqua ligands agree best with experiment. This is accidental because the continuum model of the solvent to some extent overestimates the electrostatic interactions of these highly anionic systems with the bulk solvent. The calculated free energy change when three mono-nuclear complexes associate to the trinuclear complex, agrees well with experiment and supports the formation of the latter species upon acidification of a uranyl carbonate solution.

Reactive solute transport in streams: A surface complexation approach for trace metal sorption

Science.gov (United States)

Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.

1999-01-01

A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

Complex formation of CdSe/ZnS/TOPO nanocrystal vs. molecular chaperone in aqueous solution by hydrophobic interaction

International Nuclear Information System (INIS)

Horiuchi, Hiromi; Iwami, Noriya; Tachibana, Fumi; Ohtaki, Akashi; Iizuka, Ryo; Zako, Tamotsu; Oda, Masaru; Yohda, Masafumi; Tani, Toshiro

2007-01-01

Feasibilities to stabilize CdSe/ZnS/trioctylphosphineoxide (TOPO) nanocrystals (quantum dots, QDs) in aqueous solutions with prefoldin macromolecules in their bioactive states are reported. Prefoldin is a jellyfish-shaped hexameric co-chaperone of the group II chaperonins. As a protein folding intermediate is captured within its central cavity, so CdSe/ZnS/TOPO QDs would also be included within this cavity. It is also found the QDs can be much more dispersed in aqueous solutions and suspended for certain period of time by adding trace amount of t-butanol in the buffer prior to the mixing of the QDs mother solution. While biochemical procedures are evaluated with ordinary fluorescence measurements, possible complex formations are also evaluated with TIRFM single-molecule detection techniques

Investigation of holmium(5) complexing in hydrofluoric acid solutions in the presence of alkali metal and ammonium fluorides

International Nuclear Information System (INIS)

Tsikaeva, D.V.; Agulyanskij, A.I.; Balabanov, Yu.I.; Kuznetsov, V.Ya.; Kalinnikov, V.T.

1989-01-01

Method of vibrational spectroscopy is used to study niobium-containing solutions of hydrofluoric acid in the presence of alkali metal and ammonium fluorides. It is shown that NbF 6 - and NbOF 5 2- ions co-exists in solutions, therewith, additions shift equilibrium to the second complex side. Methods of IR spectroscopy, roentgenometry, crystal optics and chemical analysis are used to identify precipitated from solutions solid phases. Three new phases, which composition by chemical analysis corresponds to M 3 Nb 2 OF 11 , where M=NH 4 , K, Rb, are detected. Their roentgenometric data displayed in tetragonal crystal system with a and c parameters equalling 15,710 and 7,744; 14,877 and 7,697; 15,511 and 7,785 A respectively, are presented

Effect of Concentration on the Electrochemistry and Speciation of the Magnesium Aluminum Chloride Complex Electrolyte Solution.

Science.gov (United States)

See, Kimberly A; Liu, Yao-Min; Ha, Yeyoung; Barile, Christopher J; Gewirth, Andrew A

2017-10-18

Magnesium batteries offer an opportunity to use naturally abundant Mg and achieve large volumetric capacities reaching over four times that of conventional Li-based intercalation anodes. High volumetric capacity is enabled by the use of a Mg metal anode in which charge is stored via electrodeposition and stripping processes, however, electrolytes that support efficient Mg electrodeposition and stripping are few and are often prepared from highly reactive compounds. One interesting electrolyte solution that supports Mg deposition and stripping without the use of highly reactive reagents is the magnesium aluminum chloride complex (MACC) electrolyte. The MACC exhibits high Coulombic efficiencies and low deposition overpotentials following an electrolytic conditioning protocol that stabilizes species necessary for such behavior. Here, we discuss the effect of the MgCl 2 and AlCl 3 concentrations on the deposition overpotential, current density, and the conditioning process. Higher concentrations of MACC exhibit enhanced Mg electrodeposition current density and much faster conditioning. An increase in the salt concentrations causes a shift in the complex equilibria involving both cations. The conditioning process is strongly dependent on the concentration suggesting that the electrolyte is activated through a change in speciation of electrolyte complexes and is not simply due to the annihilation of electrolyte impurities. Additionally, the presence of the [Mg 2 (μ-Cl) 3 ·6THF] + in the electrolyte solution is again confirmed through careful analysis of experimental Raman spectra coupled with simulation and direct observation of the complex in sonic spray ionization mass spectrometry. Importantly, we suggest that the ∼210 cm -1 mode commonly observed in the Raman spectra of many Mg electrolytes is indicative of the C 3v symmetric [Mg 2 (μ-Cl) 3 ·6THF] + . The 210 cm -1 mode is present in many electrolytes containing MgCl 2 , so its assignment is of broad interest

Thermodynamic and structural description of europium complexation in 1-octanol - H2O solutions

International Nuclear Information System (INIS)

Vu, T.H.; Charbonnel, M.C.; Boubals, N.; Couston, L.; Arnaud, F.

2008-01-01

Polydentate N-bearing ligands such as bis-triazinyl-pyridines (BTPs) are interesting extractants for actinide(III)/lanthanide(III) separation. A description of europium complexation in 1-octanol solutions was undertaken to enhance the knowledge of the extraction mechanisms. The first solvation shell for europium(III) nitrate, chloride, and perchlorate with different amounts of water was determined by Time-Resolved Laser-Induced Fluorescence (TRLIF) spectroscopy. Europium nitrate complexation by iPr-BTP was then studied by TRLIF and micro-calorimetry; similar stability constants related to the formation of Eu(BTP) 2 3+ and Eu(BTP) 3 3+ were obtained by both techniques (log(β 2 ) = 9.0 ± 0.3 and log(β 3 ) = 13.8 ± 0.2). The presence of water in the octanol diluent has an influence on solvation of europium and also on the [Eu(BTP) 2 3+ ] / [Eu(BTP) 3 3+ ] ratio. (authors)

The effect of boundaries on the asymptotic wavenumber of spiral wave solutions of the complex Ginzburg–Landau equation

KAUST Repository

Aguareles, M.

2014-06-01

In this paper we consider an oscillatory medium whose dynamics are modeled by the complex Ginzburg-Landau equation. In particular, we focus on n-armed spiral wave solutions of the complex Ginzburg-Landau equation in a disk of radius d with homogeneous Neumann boundary conditions. It is well-known that such solutions exist for small enough values of the twist parameter q and large enough values of d. We investigate the effect of boundaries on the rotational frequency of the spirals, which is an unknown of the problem uniquely determined by the parameters d and q. We show that there is a threshold in the parameter space where the effect of the boundary on the rotational frequency switches from being algebraic to exponentially weak. We use the method of matched asymptotic expansions to obtain explicit expressions for the asymptotic wavenumber as a function of the twist parameter and the domain size for small values of q. © 2014 Elsevier B.V. All rights reserved.

Pole solutions for flame front propagation

CERN Document Server

Kupervasser, Oleg

2015-01-01

This book deals with solving mathematically the unsteady flame propagation equations. New original mathematical methods for solving complex non-linear equations and investigating their properties are presented. Pole solutions for flame front propagation are developed. Premixed flames and filtration combustion have remarkable properties: the complex nonlinear integro-differential equations for these problems have exact analytical solutions described by the motion of poles in a complex plane. Instead of complex equations, a finite set of ordinary differential equations is applied. These solutions help to investigate analytically and numerically properties of the flame front propagation equations.

The enthalpies of interactions of Ca2+(aq) and C2O{4/2-} (aq) ions in complexon solutions: Competition between complexation and precipitation

Science.gov (United States)

Kustov, A. V.; Smirnova, N. L.; Berezin, B. D.; Trostin, V. N.

2010-04-01

The thermal effects of mixing of aqueous calcium chloride with sodium citrate and ethylenedi-aminetetraacetate in the absence and presence of sodium oxalate have been measured at 25°C. The thermal effects of dilution of aqueous calcium chloride solutions were determined. The thermal effects of calcium oxalate precipitation and formation of calcium complexes with citrate and ethylenediaminetetraacetate ions were calculated. The 1% solution of sodium citrate inhibited the formation of CaC2O4 (s); in a 1% solution of sodium ethylenediaminetetraacetate with [Ca2+][C2O{4/2-}] > 10-5, the endothermal formation of the [CaEdta]2- complex quickly changed to exothermal precipitation. The 3 and 5% solutions of complexons showed a pronounced inhibiting effect on the formation of urinary stones even when the concentration of calcium and oxalate ions in solution exceeded the product of solubility of CaC2O4 by four and more orders of magnitude.

A novel aggregation induced emission active cyclometalated Ir(III) complex as a luminescent probe for detection of copper(II) ion in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Shen, Wei; Yan, Liqiang; Tian, Wenwen; Cui, Xia; Qi, Zhengjian, E-mail: qizhengjian@seu.edu.cn; Sun, Yueming, E-mail: sun@seu.edu.cn

2016-09-15

We report the synthesis and characterization of a novel aggregation induced emission (AIE) active cyclometalated Ir(III) complex, namely [Ir(dfppy){sub 2}(phen-DPA)]PF{sub 6}, where dfppy and phen-DPA represent 2-(2,4-difluorophenyl)pyridine and 2-(bis(pyridin-2-ylmethyl)amino)-N-(1,10-phenanthrolin-5-yl)acetamide, respectively. The complex showed remarkable selectivity for copper(II) in aqueous solution over other competitive ions. Furthermore, this sensor showed a rapid and reversible response to copper(II) in aqueous solution with a detection limit of 65 nM.

Ligand Rearrangements of Organometallic Complexes inSolution

Energy Technology Data Exchange (ETDEWEB)

Shanoski, Jennifer E. [Univ. of California, Berkeley, CA (United States)

2006-01-01

Many chemical reactions utilize organometallic complexes as catalysts. These complexes find use in reactions as varied as bond activation, polymerization, and isomerization. This thesis outlines the construction of a new ultrafast laser system with an emphasis on the generation of tunable mid-infrared pulses, data collection, and data analysis.

Structural organization of C{sub 60} fullerene, doxorubicin, and their complex in physiological solution as promising antitumor agents

Energy Technology Data Exchange (ETDEWEB)

Prylutskyy, Yu. I. [Taras Shevchenko National University of Kyiv (Ukraine); Evstigneev, M. P., E-mail: max-evstigneev@mail.ru [Belgorod State University, Department of Biology and Chemistry (Russian Federation); Cherepanov, V. V. [Institute of Physics of NAS of Ukraine (Ukraine); Kyzyma, O. A.; Bulavin, L. A.; Davidenko, N. A. [Taras Shevchenko National University of Kyiv (Ukraine); Scharff, P. [Ilmenau University of Technology (Germany)

2015-01-15

Specific features of structural self-organization of C{sub 60} fullerene (1 nm size range), antitumor antibiotic doxorubicin (Dox) and their complex in physiological solution (0.9 % NaCl) have been investigated by means of atomic-force microscopy, dynamic light scattering, and small-angle X-ray scattering. Significant ordering of the mixed system, C{sub 60} + Dox, was observed, suggesting the complexation between these drugs, and giving insight into the mechanism of enhancement of Dox antitumor effect on simultaneous administration with C{sub 60} fullerene.

Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.

Science.gov (United States)

Neto, Brenno A D; Viana, Barbara F L; Rodrigues, Thyago S; Lalli, Priscila M; Eberlin, Marcos N; da Silva, Wender A; de Oliveira, Heibbe C B; Gatto, Claudia C

2013-08-28

We describe the synthesis of novel mononuclear and dinuclear copper complexes and an investigation of their behaviour in solution using mass spectrometry (ESI-MS and ESI-MS/MS) and in the solid state using X-ray crystallography. The complexes were synthesized from two widely used diacetylpryridine (dap) ligands, i.e. 2,6-diacetylpyridinebis(benzoic acid hydrazone) and 2,6-diacetylpyridinebis(2-aminobenzoic acid hydrazone). Theoretical calculations (DFT) were used to predict the complex geometries of these new structures, their equilibrium in solution and energies associated with the transformations.

On the role of the ground state Tb(3)/acetylacetone complex in sensitized emission of Tb(3) in ethanol solution

International Nuclear Information System (INIS)

Lis, S.; Elbanowski, M.; Marciniak, B.

1989-01-01

The Tb(3)-acetylacetone system in ethanol solution has been studied by spectroscopic methods. The formation of a Tb(3)/acetylacetone (1:1) complex in the ground state has been proved and its stability constant determined, K = (0,97 ± 0,06).10 4 dm 3 mol -1 . The role of this complex in the spectrofluorimetric determination of Ln(3) ions in the presence of acetylacetone has been discussed. (Authors)

Contributions to the chemistry of highly concentrated electrolyte solutions. XXXIX. Investigation of Be/sup 2 +/ complex formation by the method of molar volumes

Energy Technology Data Exchange (ETDEWEB)

Jedinakova, V [Vysoka Skola Chemicko-Technologicka, Prague (Czechoslovakia). Katedra Technologie Jadernych Paliv a Radiochemie

1974-01-01

The formation of aquo- and acido-complexes of the Be/sup 2 +/ ion in aqueous solutions of strong electrolytes was studied by densimetry. In all the systems studied, HClO/sub 4/, HNO/sub 3/, NaNO/sub 3/, KOH, Ca(ClO/sub 4/)/sub 2/, CaCl/sub 2/, the overall coordination number 4 was confirmed for the complex forms of the Be/sup 2 +/ ion. If BeSO/sub 4/ is used as the differential addition in a solvent not forming complexes, dissociation of the sulfate proceeds under the formation of the aquo-complex (Be(H/sub 2/O)/sub 4/)/sup 2 +/. If beryllium perchlorate is used, the Be/sup 2 +/ ion remains in that form, in which it is added to the solution (i.e. the complex form (Be(H/sub 2/O)/sub 2/(ClO/sub 4/)/sub 2/)), in the whole concentration range of the applied isomolar series Ca(ClO/sub 4/)/sub 2/-CaCl/sub 2/, NaClO/sub 4/-NaBr, and NaClO/sub 4/-NaI.

Complexation of some trivalent lanthanides, scandium(III) and thorium(IV) by benzylidenepyruvates in aqueous solution

International Nuclear Information System (INIS)

Marques, R.N.; Moraes, M. de; Ionashiro, M.

1997-01-01

The protonation constants of 4-methylbenzylidenepyruvate (4Me-BP) and 4-isopropylbenzylidenepyruvate (4IP-BP) as well as the stability constants of their binary 1:1 complexes with Cu(II), La(III), Pr(III), Sm(III), Eu(III), Yb(III), Sc(III) and Th(IV) have been determined spectrophotometrically in aqueous solution at 25 C and ionic strength 0.500 M, maintained with sodium perchlorate. For all metal ions considered, the stability changes move in the same direction as the pK a of the ligands. Linear free energy relationships, as applied to oxygen donor substances, suggest the -COCOO - moiety as the metal binding site of the ligands. The results are discussed mainly taking into account that benzylidenepyruvates, besides the α-keto canonical form, may display other forms in aqueous solution with changing pH and the possible occurrence of extra intra-ligand charge polarization, induced by metal ions. (orig.)

Determination of stability constants for thallium(III) cyanide complexes in aqueous solution by means of 13C and 205Ti NMR

International Nuclear Information System (INIS)

Blixt, J.; Gyori, B.; Glaser, J.

1989-01-01

In contrast to what is usually assumed, we have found and proved that thallium(III) forms very strong cyanide complexes in aqueous solution. The authors have investigated this system using 205 Tl, 13 C, and 14 N NMR and potentiometry and established the existence of four thallium(III)-cyanide complexes of the composition Tl(CN) n 3-n , n = 1-4. We have measured their chemical shifts and spin-spin coupling constants and determined their formation constants at 25 degree C in dilute (0.05 M) aqueous solution in the ionic medium ([Na + ] = 1 M, [Li + ] + [H + ] = 3 M, [ClO 4 - ] = 4 M). We have also determined the stability constant for HCN in the same ionic medium, log K a = 10.11 (5)

Highly luminescent pure-red-emitting fluorinated β-diketonate europium(III) complex for full solution-processed OLEDs

Energy Technology Data Exchange (ETDEWEB)

Martins, Joao P. [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Serviço de Medicina Nuclear, SESARAM E.P.E., Avenida Luís de Camões 57, Funchal 9004-514, Madeira (Portugal); Martín-Ramos, Pablo [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Higher Technical School of Telecommunications Engineering, Universidad de Valladolid, Campus Miguel Delibes, Paseo Belén 15, Valladolid 47011 (Spain); Coya, Carmen, E-mail: carmen.coya@urjc.es [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Silva, Manuela Ramos [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Eusebio, M. Ermelinda S. [Chemistry Department, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra P-3004-535 (Portugal); Andrés, Alicia de [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas (CSIC), Cantoblanco, Madrid 28049 (Spain); Álvarez, Ángel L. [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Martín-Gil, Jesús [Advanced Materials Laboratory, ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, Palencia 34004 (Spain)

2015-03-15

Current manufacturing technologies for OLEDs involve the use of expensive high vacuum techniques and call for thermal stability requirements which are not fulfilled by many materials. These problems disappear when the OLED films are deposited directly from solution. In this study, we have designed, synthesized and characterized a novel octacoordinated complex, Tris(1-(4-chlorophenyl)-4,4,4-trifluoro-1, 3-butanedionate)mono(bathophenanthroline) europium(III), to be used as a “complex-only” emissive layer in wet-processed OLEDs. Upon excitation in the UV region, very efficient energy transfer from the ligands to Eu{sup 3+} takes place, giving rise to intense red emission with very high monochromaticity (R=19), both in powder and as a thin film. The decay times of 754 µs (powder) and 620 µs (thin film) are comparable to those of the most efficient Eu{sup 3+} β-diketonate complexes reported to date. The same energy transfer leading to saturated red and narrow emission is also observed in the OLED device (glass/ITO/PEDOT:PSS/[Eu(cbtfa){sub 3}(bath)]/Ca/Al) when biased at >5.2 V. Its high quantum efficiency (∼60%), good thermal stability up to 200 °C and adequate thin film forming properties make this material a promising chromophore for cost-effective OLEDs. - Highlights: • A highly fluorinated europium(III) octacoordinated complex, [Eu(cbtfa)3(bath)], has been synthesized and its structure elucidated by single crystal X-ray diffraction. • The chosen coordination environment is well-suited for sensitizing the luminescence of the Eu{sup 3+} ion, achieving very efficient energy transfer from the organic ligands (excited in the UV region) to the rare earth ion, leading to highly efficient (Q∼60% in crystalline powder and Q∼50% in thin film) and saturated red photoluminescence. • The material has also been integrated into a single active layer, full solution-processed OLED, with ITO/PEDOT:PSS/[Eu(cbtfa)3(bath)]/ Ca/Al structure.

Low-complexity computation of plate eigenmodes with Vekua approximations and the method of particular solutions

Science.gov (United States)

Chardon, Gilles; Daudet, Laurent

2013-11-01

This paper extends the method of particular solutions (MPS) to the computation of eigenfrequencies and eigenmodes of thin plates, in the framework of the Kirchhoff-Love plate theory. Specific approximation schemes are developed, with plane waves (MPS-PW) or Fourier-Bessel functions (MPS-FB). This framework also requires a suitable formulation of the boundary conditions. Numerical tests, on two plates with various boundary conditions, demonstrate that the proposed approach provides competitive results with standard numerical schemes such as the finite element method, at reduced complexity, and with large flexibility in the implementation choices.

Mechanism of redox reactions induced by light and electron pulse in solutions of mixed ligand iron(II) complex cyanides

International Nuclear Information System (INIS)

Horvath, A.; Szoeke, J.; Wojnarovits, L.

1991-01-01

Redox reactions induced by light and electron pulse have been studied in aqueous solutions of mixed ligand iron(II) complex cyanides. The short lived intermediates have been identified by time resolved specroscopy, the results of detailed kinetic analysis have been discussed. (author) 6 refs.; 3 figs.; 2 tabs

Determination of low chloride values in Rocky Flats scrub alloy solutions and other complex matrices

International Nuclear Information System (INIS)

Holcomb, H.P.

1985-01-01

A turbidimetric method, using silver chloride, has been developed to determine low ppM quantities of chloride in Rocky Flats scrub alloy (RFSA) dissolver solutions. This analytical technique has also been applied to other complex matrices such as process 50% caustic and neutralized Purex low heat liquid waste concentrate. A controlled-pH precipitation with NaOH, during which chloride remains in solution, is used to pretreat samples to minimize salt effects from acids, bases, and/or hydrolyzable ions. Control of pH with bromocresol purple indicator also provides a more consistent pH for silver chloride formation, aiding in turbidity reproducibility. Disodium ethylenediaminetetraacetic acid is employed to negate covalent bonding by Hg(II) with chloride. The average standard deviation was +-17% for turbidity reproducibility in simulated sample aliquots containing a total of 10 to 100 μg chloride. For actual RFSA samples, the relative standard deviation ranged from +-14% to +-26%, depending on initial chloride values. 8 refs., 1 fig

HF effect on dissociation kinetics of plutonium and neptunium complexes with 1,2-diaminocyclohexanetetraacetic acid in nitric acid solutions

International Nuclear Information System (INIS)

Nikitina, S.A.; Stepanov, A.V.

1982-01-01

Dissociation kinetics of Pusup((4)) and Np sup((4)) complexes with DCTA were investigated in HNO 3 solutions in the presence of HF and arsenazo 3. It was found that HF or NaF produced a differentiating effect on the reactivity of the complexes at [HNO 3 ]=1-6 mol/l as well as inhibiting effect at [HNO 3 ]=0.01 mol/l. Conditions of the differential kinetic analysis of plutonium and neptunium in the mixture and differential spectrophotometric analysis of uranium (6) during the camouflage of neptunium (4) and plutonium (4) were determined

High-Order Finite-Difference Solution of the Poisson Equation Involving Complex Geometries in Embedded Meshes

Science.gov (United States)

Marques, Alexandre; Nave, Jean-Christophe; Rosales, Ruben

2011-11-01

The Poisson equation is of central importance in the description of fluid flows and other physical phenomena. In prior work, Marques, Nave, and Rosales introduced the Correction Function Method (CFM) to obtain fourth-order accurate solutions for the constant coefficient Poisson problem with prescribed jump conditions for the solution and its normal derivative across arbitrary interfaces. Here we combine this method with the ideas introduced by Mayo to solve other Poisson problems involving complex geometries. In summary, we are able to rewrite the problem as a boundary integral equation in terms of a potential distribution over the boundary or interface. The solution of this integral equation is discontinuous across the boundary or interface. Hence, after this integral equation is solved using standard techniques, the potential distribution can be used to determine the jump discontinuities. We are then able to use the CFM to solve the resulting Poisson equation with jump discontinuities. The outcome is a fourth-order accurate scheme to solve general Poisson problems which, over arbitrary geometries, has a cost that is approximately twice that of a fast Poisson solver using FFT on a rectangular geometry of the same size. Details of the method and applications will be presented.

Superconducting properties of GdBa{sub 2}Cu{sub 3}O{sub y} films by metal-organic deposition using new fluorine-free complex solutions

Energy Technology Data Exchange (ETDEWEB)

Nakamura, T. [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shizuoka University, Johoku 3-5-1, Hamamatsu, Shizuoka 432-8561 (Japan); Kita, R. [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shizuoka University, Johoku 3-5-1, Hamamatsu, Shizuoka 432-8561 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan)], E-mail: terkita@ipc.shizuoka.ac.jp; Miura, O. [Tokyo Metropolitan University, Minamiosawa 1-1, Hachioji, Tokyo 192-0364 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Ichinose, A. [CRIEPI, Nagasaka 2-6-1, Yokosuka, Kanagawa 240-0916 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Matsumoto, K. [Kyushu Institute of Techonology, Sensui-cho, Tobata-ku, Kitakyushu, Hukuoka 804-8550 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Yoshida, Y. [Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Mukaida, M. [Kyushu University, Hakozaki 6-10-1, Higashi-ku 4-3-16, Fukuoka 992-8510 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan); Horii, S. [University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8586 (Japan); CREST-JST, Honcho 4-1-8, Kawaguchi, Saitama 332-0012 (Japan)

2008-09-15

GdBa{sub 2}Cu{sub 3}O{sub y} (GdBCO) films have been prepared on LaAlO{sub 3} single-crystal substrates by metal-organic deposition (MOD) using new fluorine-free complex solutions consisting of metal 2-ethylhexanates (2-EH) and metal naphthenates. The dispersion of T{sub c} values for GdBCO films improved by using a complex solution, rather than only a solution of metal naphthenates. c-axis oriented GdBCO films with flat surfaces were grown under lower calcining temperatures and higher firing temperatures than in the process using only metal naphthenates. The T{sub c} and J{sub c} of the GdBCO films were 91.2 K and 0.61 MA/cm{sup 2}, respectively, at 77 K at self-field.

On Perturbative Cubic Nonlinear Schrodinger Equations under Complex Nonhomogeneities and Complex Initial Conditions

Directory of Open Access Journals (Sweden)

Magdy A. El-Tawil

2009-01-01

Full Text Available A perturbing nonlinear Schrodinger equation is studied under general complex nonhomogeneities and complex initial conditions for zero boundary conditions. The perturbation method together with the eigenfunction expansion and variational parameters methods are used to introduce an approximate solution for the perturbative nonlinear case for which a power series solution is proved to exist. Using Mathematica, the symbolic solution algorithm is tested through computing the possible approximations under truncation procedures. The method of solution is illustrated through case studies and figures.

Possibilities of application of perfect solution model to calculation of equilibrium composition of complex carbonitrides and their solubility in steels

International Nuclear Information System (INIS)

Gol'dshtejn, M.I.; Popov, V.V.; Cheremnykh, V.G.

1980-01-01

Using the Fe-Nb-V-C-N and Fe-Ti-V-C-N systems' low carbon steels, the earlier suggested model of perfect solid solutions has been experimentally researched. Also studied has been the feasibility to calculate the composition of carbonitrides in steels by the derived equations, that comprise, as parameters, products of respective compounds' solubility and coefficients of components interaction in iron-based solid solutions. A conclusion is drawn that perfect solutions models may be used adequately for complex carbonitrides like Nbsub(p)Vsub(1-p)Csub(q)Nsub(1-q) and Tisub(p)Vsub(1-p)Csub(q)Nsub(1-q) during the calculations of their equilibrium composition and solubility in steels

Phosphole complexes of Gold(I) halides: Comparison of solution and solid-state structures by a combination of solution and CP/MAS 31P NMR spectroscopy and x-ray crystallography

International Nuclear Information System (INIS)

Attar, S.; Nelson, J.H.; Bearden, W.H.; Alcock, N.W.; Alyea, E.C.

1990-01-01

A series of complexes of 1-phenyldibenzophosphole (DBP), 1-phenyl-3,4,-dimethylphosphole (DMPP), and triphenylphosphine of the type L n AuX (n = 1, L = DBP, DMPP, Ph 3 P, X = Cl, Br, I; n = 3, L = DBP, X = Cl, Br, I; n = 3, L = Ph 3 P, X = Cl; n = 4, L = DBP, DMPP, X = PF 6 ) have been prepared and characterized. The structures of (DBP)AuCl (1), (DBP) 3 AuCl (2), and (DMPP)AuCl (3) have been determined from three-dimensional x-ray data collected by counter methods. Crystal structure of the complexes is reported. The CP/MAS 31 P( 1 H) NMR spectrum of complex 1 shows two resonances in a 1:1 intensity ratio, and the CP/MAS 31 P( 1 H) NMR spectrum of complex 3 shows three resonances in a 1:1:1 intensity ratio for reasons that are not yet understood. Though the three phospholes are crystallographically inequivalent (d(AuP) = 2.359 (1), 2.382 (1), and 2.374 (2) angstrom) the molecule has effective C s symmetry as evidenced by the observation of two 31 P resonances in a 2:1 intensity ratio in its CP/MAS 31 P( 1 H) NMR spectrum. Variable-temperature 31 P( 1 H) NMR spectra obtained on solutions of LAuCl + L in various ratios were analyzed to determine the nature of the species present in solution and to gain information regarding their relative stabilities as a function of the nature of the phosphine. 79 refs., 8 figs., 9 tabs

The facile synthesis of a chitosan Cu(II) complex by solution plasma process and evaluation of their antioxidant activities.

Science.gov (United States)

Ma, Fengming; Li, Pu; Zhang, Baiqing; Wang, Zhenyu

2017-10-01

Synthesis of chitosan-Cu(II) complex by solution plasma process (SPP) irradiation was investigated. The effects of the distance between the electrodes, initial Cu(II) concentration, and initial pH on the Cu(II) adsorption capacity were evaluated. The results showed that narrower distance between the electrodes, higher initial Cu(II) concentration and higher initial pH (at pHchitosan-Cu(II) complex by ultraviolet-visible (UV-vis), fourier transform infrared (FT-IR) and electron spin resonance (ESR) spectroscopy revealed that the main structure of chitosan was not changed after irradiation. Thermogravimetry (TG) analysis indicated that Cu(II) ions were well incorporated into the chitosan. The antioxidant activity of the chitosan-Cu(II) complex was evaluated by DPPH, ABTS, and reducing power assays. The chitosan-Cu(II) complex exhibited greater antioxidant activity than the original chitosan. Thus, SPP could be used for preparation of chitosan-Cu(II) complexes. Copyright © 2017. Published by Elsevier B.V.

Complex chemistry

International Nuclear Information System (INIS)

Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

2006-06-01

This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

Evaluation of Cognitive Complexity of Tasks for the Topic Hydrogen Exponent in the Solutions of Acids and Bases

Directory of Open Access Journals (Sweden)

Saša Horvat

2018-02-01

Full Text Available The aim of this study was evaluation of cognitive complexity of tasks for the topic hydrogen exponent in the solutions of acids and bases and its validation. The created procedure included an assessment of the difficulty of concepts and an assessment of their interactivity. There were 48 freshmen students enrolled in the study program Basic academic studies in chemistry. As a research instrument for assessing performance, test of knowledge was specifically constructed for this research. Each task in the test was followed by a seven-point Likert scale for the evaluation of invested mental effort. The evaluation of cognitive complexity was confirmed by a series of linear regression analysis where high values of correlation coefficients are obtained among the examined variables: student’s performance and invested mental effort (dependent variables and cognitive complexity (independent variable.

Thermodynamic and structural description of europium complexation in 1-octanol - H{sub 2}O solutions

Energy Technology Data Exchange (ETDEWEB)

Vu, T.H.; Charbonnel, M.C.; Boubals, N.; Couston, L. [CEA Marcoule, DEN/DRCP/SCPS/LCAM, BP 17171, 30207 Bagnols-sur-Ceze (France); Arnaud, F. [Laboratoire de Chimie Physique, IPHC, 25 rue Becquerel, 67087 Strasbourg (France)

2008-07-01

Polydentate N-bearing ligands such as bis-triazinyl-pyridines (BTPs) are interesting extractants for actinide(III)/lanthanide(III) separation. A description of europium complexation in 1-octanol solutions was undertaken to enhance the knowledge of the extraction mechanisms. The first solvation shell for europium(III) nitrate, chloride, and perchlorate with different amounts of water was determined by Time-Resolved Laser-Induced Fluorescence (TRLIF) spectroscopy. Europium nitrate complexation by iPr-BTP was then studied by TRLIF and micro-calorimetry; similar stability constants related to the formation of Eu(BTP){sub 2}{sup 3+} and Eu(BTP){sub 3}{sup 3+} were obtained by both techniques (log({beta}{sub 2}) = 9.0 {+-} 0.3 and log({beta}{sub 3}) = 13.8 {+-} 0.2). The presence of water in the octanol diluent has an influence on solvation of europium and also on the [Eu(BTP){sub 2}{sup 3+}] / [Eu(BTP){sub 3}{sup 3+}] ratio. (authors)

The effect of specific solvent-solute interactions on complexation of alkali-metal cations by a lower-rim calix[4]arene amide derivative.

Science.gov (United States)

Horvat, Gordan; Stilinović, Vladimir; Kaitner, Branko; Frkanec, Leo; Tomišić, Vladislav

2013-11-04

Complexation of alkali-metal cations with calix[4]arene secondary-amide derivative, 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetra(N-hexylcarbamoylmethoxy)calix[4]arene (L), in benzonitrile (PhCN) and methanol (MeOH) was studied by means of microcalorimetry, UV and NMR spectroscopies, and in the solid state by X-ray crystallography. The inclusion of solvent molecules (including acetonitrile, MeCN) in the calixarene hydrophobic cavity was also investigated. The classical molecular dynamics (MD) simulations of the systems studied were carried out. By combining the results obtained using the mentioned experimental and computational techniques, an attempt was made to get an as detailed insight into the complexation reactions as possible. The thermodynamic parameters, that is, equilibrium constants, reaction Gibbs energies, enthalpies, and entropies, of the investigated processes were determined and discussed. The stability constants of the 1:1 (metal:ligand) complexes measured by different methods were in very good agreement. Solution Gibbs energies of the ligand and its complexes with Na(+) and K(+) in methanol and acetonitrile were determined. It was established that from the thermodynamic point of view, apart from cation solvation, the most important reason for the huge difference in the stability of these complexes in the two solvents lay in the fact that the transfer of complex species from MeOH to MeCN was quite favorable. That could be at least partly explained by a more exergonic inclusion of the solvent molecule in the complexed calixarene cone in MeCN as compared to MeOH, which was supported by MD simulations. Molecular and crystal structures of the lithium cation complex of L with the benzonitrile molecule bound in the hydrophobic calixarene cavity were determined by single-crystal X-ray diffraction. As far as we are aware, for the first time the alkali-metal cation was found to be coordinated by the solvent nitrile group in a calixarene adduct. According to

Plutonium (IV) complexation by nitrate in acid solutions of ionic strengths from 2 to 19 molal

International Nuclear Information System (INIS)

Berg, J.M.; Veirs, D.K.; Vaughn, R.B.; Cisneros, M.A.; Smith, C.A.

1997-01-01

Titrations of Pu(IV) with HNO 3 in a series of aqueous HClO 4 solutions ranging in ionic strength from 2 to 19 molal were followed using absorption spectrophotometry. The Pu 5f-5f spectra in the visible and near IR range change with complex formation. At each ionic strength, a series of spectra were obtained by varying nitrate concentration. Each series was deconvoluted into spectra f Pu 4+ (aq), Pu(NO 3 ) 3+ and Pu(NO 3 ) 2 2+ complexes, and simultaneously their formation constants were determined. When corrected for the incomplete dissociation of nitric acid, the ionic strength dependence of each formation constant can be described by two parameters, β 0 and Δ var-epsilon using the formulae of specific ion interaction theory. The difficulties with extending this analysis to higher nitrate coordination numbers are discussed

A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

International Nuclear Information System (INIS)

Thien, Bruno M.J.; Kulik, Dmitrii A.; Curti, Enzo

2014-01-01

Highlights: • There are several models able to describe trace element partitioning in growing minerals. • To describe complex systems, those models must be embedded in a geochemical code. • We merged two models into a unified one suitable for implementation in a geochemical code. • This unified model was tested against coprecipitation experimental data. • We explored how our model reacts to solution depletion effects. - Abstract: Thermodynamics alone is usually not sufficient to predict growth-rate dependencies of trace element partitioning into host mineral solid solutions. In this contribution, two uptake kinetic models were analyzed that are promising in terms of mechanistic understanding and potential for implementation in geochemical modelling codes. The growth Surface Entrapment Model (Watson, 2004) and the Surface Reaction Kinetic Model (DePaolo, 2011) were shown to be complementary, and under certain assumptions merged into a single analytical expression. This Unified Uptake Kinetics Model was implemented in GEMS3K and GEM-Selektor codes ( (http://gems.web.psi.ch)), a Gibbs energy minimization package for geochemical modelling. This implementation extends the applicability of the unified uptake kinetics model to accounting for non-trivial factors influencing the trace element partitioning into solid solutions, such as the changes in aqueous solution composition and speciation, or the depletion effects in closed geochemical systems

Sci-Thur AM: Planning - 04: Evaluation of the fluence complexity, solution quality, and run efficiency produced by five fluence parameterizations implemented in PARETO multiobjective radiotherapy treatment planning software.

Science.gov (United States)

Champion, H; Fiege, J; McCurdy, B; Potrebko, P; Cull, A

2012-07-01

PARETO (Pareto-Aware Radiotherapy Evolutionary Treatment Optimization) is a novel multiobjective treatment planning system that performs beam orientation and fluence optimization simultaneously using an advanced evolutionary algorithm. In order to reduce the number of parameters involved in this enormous search space, we present several methods for modeling the beam fluence. The parameterizations are compared using innovative tools that evaluate fluence complexity, solution quality, and run efficiency. A PARETO run is performed using the basic weight (BW), linear gradient (LG), cosine transform (CT), beam group (BG), and isodose-projection (IP) methods for applying fluence modulation over the projection of the Planning Target Volume in the beam's-eye-view plane. The solutions of each run are non-dominated with respect to other trial solutions encountered during the run. However, to compare the solution quality of independent runs, each run competes against every other run in a round robin fashion. Score is assigned based on the fraction of solutions that survive when a tournament selection operator is applied to the solutions of the two competitors. To compare fluence complexity, a modulation index, fractal dimension, and image gradient entropy are calculated for the fluence maps of each optimal plan. We have found that the LG method results in superior solution quality for a spine phantom, lung patient, and cauda equina patient. The BG method produces solutions with the highest degree of fluence complexity. Most methods result in comparable run times. The LG method produces superior solution quality using a moderate degree of fluence modulation. © 2012 American Association of Physicists in Medicine.

pH Sensing Properties of Flexible, Bias-Free Graphene Microelectrodes in Complex Fluids: From Phosphate Buffer Solution to Human Serum.

Science.gov (United States)

Ping, Jinglei; Blum, Jacquelyn E; Vishnubhotla, Ramya; Vrudhula, Amey; Naylor, Carl H; Gao, Zhaoli; Saven, Jeffery G; Johnson, Alan T Charlie

2017-08-01

Advances in techniques for monitoring pH in complex fluids can have a significant impact on analytical and biomedical applications. This study develops flexible graphene microelectrodes (GEs) for rapid (pH of complex biofluids by measuring real-time Faradaic charge transfer between the GE and a solution at zero electrical bias. For an idealized sample of phosphate buffer solution (PBS), the Faradaic current is varied monotonically and systematically with the pH, with a resolution of ≈0.2 pH unit. The current-pH dependence is well described by a hybrid analytical-computational model, where the electric double layer derives from an intrinsic, pH-independent (positive) charge associated with the graphene-water interface and ionizable (negative) charged groups. For ferritin solution, the relative Faradaic current, defined as the difference between the measured current response and a baseline response due to PBS, shows a strong signal associated with ferritin disassembly and the release of ferric ions at pH ≈2.0. For samples of human serum, the Faradaic current shows a reproducible rapid (pH. By combining the Faradaic current and real-time current variation, the methodology is potentially suitable for use to detect tumor-induced changes in extracellular pH. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of Cu–Ni nanostructured alloys obtained by a chemical route. Influence of the complexing agent content in the starting solution

Energy Technology Data Exchange (ETDEWEB)

Carreras, Alejo C., E-mail: acarreras@famaf.unc.edu.ar [Instituto de Física Enrique Gaviola (IFEG), Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba—CONICET, Medina Allende s/n, Ciudad Universitaria, 5016 Córdoba (Argentina); Cangiano, María de los A.; Ojeda, Manuel W.; Ruiz, María del C. [Instituto de Investigaciones en Tecnología Qumica (INTEQUI), Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis—CONICET, Chacabuco y Pedernera, 5700 San Luis (Argentina)

2015-03-15

The influence of the amount of complexing agent added to the starting solution on the physicochemical properties of Cu–Ni nanostructured alloys obtained through a chemical route, was studied. For this purpose, three Cu–Ni nanoalloy samples were synthesized by a previously developed procedure, starting from solutions with citric acid to metal molar ratios (C/Me) of 0.73, 1.00 and 1.50. The synthesis technique consisted in preparing a precursor via the citrate-gel method, and carrying out subsequent thermal treatments in controlled atmospheres. Sample characterization was performed by scanning electron microscopy, X-ray microanalysis, X-ray diffraction, transmission electron microscopy, X-ray nanoanalysis and electron diffraction. In the three cases, copper and nickel formed a solid solution with a Cu/Ni atomic ratio close to 50/50, and free of impurities inside the crystal structure. The citric acid content of the starting solution proved to have an important influence on the morphology, size distribution, porosity, and crystallinity of the Cu–Ni alloy microparticles obtained, but a lesser influence on their chemical composition. The molar ratio C/Me = 1.00 resulted in the alloy with the Cu/Ni atomic ratio closest to 50/50. - Highlights: • We synthesize Cu–Ni nanoalloys by a chemical route based on the citrate-gel method. • We study the influence of the complexing agent content of the starting solution. • We characterize the samples by electron microscopy and X-ray techniques. • Citric acid influences the shape, size, porosity and crystallinity of the alloys.

Complexing in aqueous solutions of rare earth n-aminobenzoates

International Nuclear Information System (INIS)

Efremova, G.I.; Buchkova, R.T.; Lapitskaya, A.V.; Pirkes, S.B.

1977-01-01

Complexing in the system ''ion of a rare-earth metal - n-aminobenzoic acid'' has been investigated by the pH-metric method in the pH range of 3.5-5.5. In the La-Eu series, the stability of n-aminobenzoate complexes increases and attains the maximum value in the complex Eu (lg Ksub(st)=2.66). In the Gd-Lu series the stability of the complex particles decreases monotonically

Carbon-13 magnetic relaxation rates or iron (III) complexes of some biogenic amines and parent compounds in aqueous solutions

International Nuclear Information System (INIS)

Lai, A.; Monduzzi, M.; Saba, G.

1980-01-01

Spin-lattice relaxation rates (R 1 ) from naturally occuring C-13 F.T. N.M.R. spectra of some catecholamines and parent compounds with Iron(III) at pD = 4 were determined in order to elucidate the molecular mechanism underlying their association in aqueous solutions. Complexation was observed only for catecholic ligands. The R 1 values were used to calculate iron-carbon scaled distances, and two complexation models were proposed where the catecholic function binds Fe(III) in the first and second coordination spheres respectively. The latter case was shown to be the consistent with the molecular geometries. (orig.)

HF effect on dissociation kinetics of plutonium and neptunium complexes with 1,2-diaminocyclohexanetetraacetic acid in nitric acid solutions

Energy Technology Data Exchange (ETDEWEB)

Nikitina, S.A.; Stepanov, A.V.

1982-01-01

Dissociation kinetics of Pusup((4)) and Np sup((4)) complexes with DCTA were investigated in HNO/sub 3/ solutions in the presence of HF and arsenazo 3. It was found that HF or NaF produced a differentiating effect on the reactivity of the complexes at (HNO/sub 3/)=1-6 mol/l as well as inhibiting effect at (HNO/sub 3/)=0.01 mol/l. Conditions of the differential kinetic analysis of plutonium and neptunium in the mixture and differential spectrophotometric analysis of uranium (6) during the camouflage of neptunium (4) and plutonium (4) were determined.

Tris-amidoximate uranyl complexes via η2 binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods.

Science.gov (United States)

Zhang, Linjuan; Qie, Meiying; Su, Jing; Zhang, Shuo; Zhou, Jing; Li, Jiong; Wang, Yu; Yang, Shitong; Wang, Shuao; Li, Jingye; Wu, Guozhong; Wang, Jian Qiang

2018-03-01

The present study sheds some light on the long-standing debate concerning the coordination properties between uranyl ions and the amidoxime ligand, which is a key ingredient for achieving efficient extraction of uranium. Using X-ray absorption fine structure combined with theoretical simulation methods, the binding mode and bonding nature of a uranyl-amidoxime complex in aqueous solution were determined for the first time. The results show that in a highly concentrated amidoxime solution the preferred binding mode between UO 2 2+ and the amidoxime ligand is η 2 coordination with tris-amidoximate species. In such a uranyl-amidoximate complex with η 2 binding motif, strong covalent interaction and orbital hybridization between U 5f/6d and (N, O) 2p should be responsible for the excellent binding ability of the amidoximate ligand to uranyl. The study was performed directly in aqueous solution to avoid the possible binding mode differences caused by crystallization of a single-crystal sample. This work also is an example of the simultaneous study of local structure and electronic structure in solution systems using combined diagnostic tools.

Complex Solutions for Complex Needs: Towards Holistic and Collaborative Practice

Science.gov (United States)

Beadle, Sally

2009-01-01

While the need for holistic health and social service responses is increasingly being articulated in Australia, the discussion is not always matched by improvements in service delivery. This project looked at one service setting where youth workers were encouraged to take a holistic approach to their clients' often-complex needs. Interviews with…

Enhanced electrical stability of nitrate ligand-based hexaaqua complexes solution-processed ultrathin a-IGZO transistors

Science.gov (United States)

Choi, C.; Baek, Y.; Lee, B. M.; Kim, K. H.; Rim, Y. S.

2017-12-01

We report solution-processed, amorphous indium-gallium-zinc-oxide-based (a-IGZO-based) thin-film transistors (TFTs). Our proposed solution-processed a-IGZO films, using a simple spin-coating method, were formed through nitrate ligand-based metal complexes, and they were annealed at low temperature (250 °C) to achieve high-quality oxide films and devices. We investigated solution-processed a-IGZO TFTs with various thicknesses, ranging from 4 to 16 nm. The 4 nm-thick TFT films had smooth morphology and high-density, and they exhibited excellent performance, i.e. a high saturation mobility of 7.73  ±  0.44 cm2 V-1 s-1, a sub-threshold swing of 0.27 V dec-1, an on/off ratio of ~108, and a low threshold voltage of 3.10  ±  0.30 V. However, the performance of the TFTs degraded as the film thickness was increased. We further performed positive and negative bias stress tests to examine their electrical stability, and it was noted that the operating behavior of the devices was highly stable. Despite a small number of free charges, the high performance of the ultrathin a-IGZO TFTs was attributed to the small effect of the thickness of the channel, low bulk resistance, the quality of the a-IGZO/SiO2 interface, and high film density.

Investigation of complexing in solutions of salt mixture In(NO/sub 3/)/sub 3/-NaVO/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Nakhodnova, A N; Listratenko, I V

1987-05-01

Spectrophotometry, conductometry and pH-metry are used to investigate properties and composition of the solid phases of isomolar series of In(NO/sub 3/)/sub 3/-NaVO/sub 3/ salt mixture solutions and series of solutions having constant concentration of one of the components and varied of the other. Results of investigation are presented. It is stated that in the investigated solution series in weakly acid media HPA with the ratios (In/sup 3+/):(V/sup 5+/) being equal to 11:1, 6:1, and 1:9, are formed. Composition of the complexes is mainly defined by the ratio of the components in In(NO/sub 3/)/sub 3/ and NaVO/sub 3/ salt mixture solutions and the medium acidity. Compounds of Na/sub 2/OxIn/sub 2/O/sub 3/x2.5V/sub 2/O/sub 5/x8.5H/sub 2/O and Cs/sub 2/OxIn/sub 2/O/sub 3/x6V/sub 2/O/sub 5/x6.5H/sub 2/O empirical formulae are separated. Results of IR spectroscopy, derivatography and X-ray phase analysis of the corresponding salts are presented.

Preparation and tribological properties of inclusion complex of β-cyclodextrin/dialkyl pentasulfide as additive in PEG-600 aqueous solution

International Nuclear Information System (INIS)

Guan, Jiju; Xu, Xuefeng; Li, Gan; Peng, Wei

2014-01-01

The inclusion complex of β-cyclodextrin (β-CD) and dialkyl pentasulfide (DPS), in which DPS was incorporated into β-CD cavities, was prepared by a co-precipitation method. The tribological properties of the complex used as lubricant additive in PEG 600 aqueous solution were investigated by a four-ball tester. The complex exhibited better tribological properties than β-CD under different loads, and also showed better anti-friction performance than DPS in the latter half of the test duration. The tribological action mechanism of the complex on a steel surface was studied according to the X-ray photoelectron spectroscopy (XPS) analyses. The β-CD molecules of the complexes were decomposed into various molecular fragments and the DPS molecules were released under the friction condition. It revealed that thiolate and ferrous sulfide (FeS) films formed by DPS played a major role, and iron alkoxide and carbon deposition films formed by the friction fragments of β-CD mainly exhibited anti-friction property on FeS-to-FeS interface. The interactions among different films led to the formation of a mixed boundary lubrication film.

13C and 17O NMR binding constant studies of uranyl carbonate complexes in near-neutral aqueous solution. Yucca Mountain Project Milestone Report 3351

International Nuclear Information System (INIS)

Clark, D.L.; Newton, T.W.; Palmer, P.D.; Zwick, B.D.

1995-01-01

Valuable structural information, much of it unavailable by other methods, can be obtained about complexes in solution through NMR spectroscopy. From chemical shift and intensity measurements of complexed species, NMR can serve as a species-specific structural probe for molecules in solution and can be used to validate thermodynamic constants used in geochemical modeling. Fourier-transform nuclear magnetic resonance (FT-NMR) spectroscopy has been employed to study the speciation of uranium(VI) ions in aqueous carbonate solutions as a function of pH, ionic strength, carbonate concentration, uranium concentration, and temperature. Carbon-13 and oxygen-17 NMR spectroscopy were used to monitor the fractions, and hence thermodynamic binding constants of two different uranyl species U0 2 (CO 3 ) 3 4- and (UO 2 ) 3 (CO 3 ) 6 6- in aqueous solution. Synthetic buffer solutions were prepared under the ionic strength conditions used in the NMR studies in order to obtain an accurate measure of the hydrogen ion concentration, and a discussion of pH = -log(a H + ) versus p[H] = -log[H+] is provided. It is shown that for quantitative studies, the quantity p[H] needs to be used. Fourteen uranium(VI) binding constants recommended by the OECD NEA literature review were corrected to the ionic strengths employed in the NMR study using specific ion interaction theory (SIT), and the predicted species distributions were compared with the actual species observed by multinuclear NMR. Agreement between observed and predicted stability fields is excellent. This establishes the utility of multinuclear NMR as a species-specific tool for the study of the actinide carbonate complexation constants, and serves as a means for validating the recommendations provided by the OECD NEA

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.

Application of membrane LaF3 electrode in the determination of stability constants of Uranyl Fluoride complex in solution

International Nuclear Information System (INIS)

Muzakky; Iswani GS; Mintolo

1996-01-01

A membrane electrode LaF 3 has been applied in the determination of uranyl fluoride complex stability constant in solution. The determination is based on the detection of free F ion in solution as a result of hydrolysis reaction (process) of uranyl ions into the uranyl hydroxide form at low pH. The experiment results showed that there was no effect of ammonium carbonate 2 M titran, flow rate on the electrode response. The F release is optimum at pH 1. The free F ion in solution is calculated from the standard curve at pH 1, after the fluoride concentration at the same pH has been corrected. Using the plot of average number of ligand binding (n) versus minus log of free ligand (-log F) the value of β1 = 4.4, β2 = 7.48, β3=9.73, and β4 = 11.67

EPR studies on binuclear copper(II) complexes with N,N',N'',N'''-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraaza-cyclotetradecane in solutions

International Nuclear Information System (INIS)

Jezierska, J.; Ozarowski, A.; Vuckovic, G.

1997-01-01

Binuclear copper(II) complexes of macrocyclic ligand TMPC (tetraazamacrocycle with four pendant 2-pirydylmethyl groups attached to the ring nitrogen atoms) with various anions forming bridge between copper ions, or coordinating to copper(II) ions at the apex, were prepared and their frozen solutions in DMF and NMF were investigated by EPR. The spectroscopic results have been interpreted in terms of molecular structure of investigated complexes

Servitization, Services and Managing Complexity

DEFF Research Database (Denmark)

Harjo, Ieva; Frandsen, Thomas; Hsuan, Juliana

This paper explores how seemingly complex servitized solutions can become tradable in a customer–supplier relationship by objectification and abbreviation. The key argument is that the complexity of product-service solutions can be reduced by abbreviation of the reality in written form of contracts...

Molecular Complex of Lumiflavin and 2-Aminobenzoic Acid : Crystal Structure, Crystal Spectra, and Solution Properties

OpenAIRE

Shieh, Huey-Sheng; Ghisla, Sandro; Hanson, Louise Karle; Ludwig, Martha L.; Nordman, Christer E.

1981-01-01

The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N402●C7H7N02●H2O)crystallizes from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 Å, c = 7.045 Å, α = 95.44°, β = 95.86°, and γ = 105.66°. The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating l...

Moessbauer study of iron-sugar complexes

International Nuclear Information System (INIS)

Tonkovic, M.; Music, S.; Hadzija, O.; Nagy-Czako, I.; Vertes, A.

1982-01-01

Ferric-fructose complex has been prepared using FeCl 3 and Fe(NO 3 ) 3 solutions. Molecular weight determination and Moessbauer spectroscopic measurements proved that the ferric-fructose complex is polymeric in solid state and also in aqueous solution. The synthesis of a new iron-sorbose complex has been performed. Its Moessbauer spectra indicate a structure similar to that of the iron-fructose complex. (author)

A New Efficient Analytical Method for Picolinate Ion Measurements in Complex Aqueous Solutions

Energy Technology Data Exchange (ETDEWEB)

Parazols, M.; Dodi, A. [CEA Cadarache, Lab Anal Radiochim and Chim, DEN, F-13108 St Paul Les Durance (France)

2010-07-01

This study focuses on the development of a new simple but sensitive, fast and quantitative liquid chromatography method for picolinate ion measurement in high ionic strength aqueous solutions. It involves cation separation over a chromatographic CS16 column using methane sulfonic acid as a mobile phase and detection by UV absorbance (254 nm). The CS16 column is a high-capacity stationary phase exhibiting both cation exchange and RP properties. It allows interaction with picolinate ions which are in their zwitterionic form at the pH of the mobile phase (1.3-1.7). Analysis is performed in 30 min with a detection limit of about 0.05 {mu}M and a quantification limit of about 0.15 {mu}M. Moreover, this analytical technique has been tested efficiently on complex aqueous samples from an effluent treatment facility. (authors)

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

Science.gov (United States)

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

2016-07-21

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

A comparative study of UVO2+- and UVIO22+ -carbonato complexes in aqueous solution

International Nuclear Information System (INIS)

Ikeda, A.; Hennig, Ch.; Rossberg, A.; Scheinost, A.C.; Bernhard, G.; Takao, K.; Ikeda, Y.

2007-01-01

Electrochemical and spectroscopic (UV-vis and X-ray absorption) studies have been performed for the uranyl (UO 2 n+ ) species in aqueous carbonate solution in order to reveal the redox behavior of uranyl ion and to identify the structural difference between pentavalent and hexavalent UO 2 n+ . Cyclic voltammetry and bulk electrolysis experiments using a 50 mM U solution suggest that U V O 2 + , the reduction product of U VI O 2 2+ , is stabilized only in the limited concentration range of 0.8 M 2 CO 3 ] and 11.7 V O 2 + species is confirmed to be stable for at least 1 month in a sealed glass cuvette by successive UV-vis absorption measurements. X-ray absorption measurements show that both U V O 2 + and U VI O 2 2+ are co-ordinated by three carbonate ions in their equatorial planes with a bidentate arrangement, forming a tri-carbonato complex, [UO 2 (CO 3 ) 3 ] m- (m = 5 for U(V) and 4 for U(VI)). The electron density of the uranium atom affects the U-O bond lengths that lengthen upon reduction from U VI O 2 2+ to U V O 2 + . (authors)

Exact solutions for oscillatory shear sweep behaviors of complex fluids from the Oldroyd 8-constant framework

Science.gov (United States)

Saengow, Chaimongkol; Giacomin, A. Jeffrey

2018-03-01

In this paper, we provide a new exact framework for analyzing the most commonly measured behaviors in large-amplitude oscillatory shear flow (LAOS), a popular flow for studying the nonlinear physics of complex fluids. Specifically, the strain rate sweep (also called the strain sweep) is used routinely to identify the onset of nonlinearity. By the strain rate sweep, we mean a sequence of LAOS experiments conducted at the same frequency, performed one after another, with increasing shear rate amplitude. In this paper, we give exact expressions for the nonlinear complex viscosity and the corresponding nonlinear complex normal stress coefficients, for the Oldroyd 8-constant framework for oscillatory shear sweeps. We choose the Oldroyd 8-constant framework for its rich diversity of popular special cases (we list 18 of these). We evaluate the Fourier integrals of our previous exact solution to get exact expressions for the real and imaginary parts of the complex viscosity, and for the complex normal stress coefficients, as functions of both test frequency and shear rate amplitude. We explore the role of infinite shear rate viscosity on strain rate sweep responses for the special case of the corotational Jeffreys fluid. We find that raising η∞ raises the real part of the complex viscosity and lowers the imaginary. In our worked examples, we thus first use the corotational Jeffreys fluid, and then, for greater accuracy, we use the Johnson-Segalman fluid, to describe the strain rate sweep response of molten atactic polystyrene. For our comparisons with data, we use the Spriggs relations to generalize the Oldroyd 8-constant framework to multimode. Our generalization yields unequivocally, a longest fluid relaxation time, used to assign Weissenberg and Deborah numbers to each oscillatory shear flow experiment. We then locate each experiment in the Pipkin space.

Uniqueness of Solutions to Schrödinger Equations on Complex ...

Indian Academy of Sciences (India)

2006-09-05

simple Lie groups. We show that if the initial data is a bi-invariant function that has sufficient decay and the solution has sufficient decay at another fixed value of time, then the solution has to be identically zero for all time.

Nitric oxide production by visible light irradiation of aqueous solution of nitrosyl ruthenium complexes.

Science.gov (United States)

Sauaia, Marília Gama; de Lima, Renata Galvão; Tedesco, Antonio Claudio; da Silva, Roberto Santana

2005-12-26

[Ru(II)L(NH(3))(4)(pz)Ru(II)(bpy)(2)(NO)](PF(6))(5) (L is NH(3), py, or 4-acpy) was prepared with good yields in a straightforward way by mixing an equimolar ratio of cis-[Ru(NO(2))(bpy)(2)(NO)](PF(6))(2), sodium azide (NaN(3)), and trans-[RuL(NH(3))(4)(pz)] (PF(6))(2) in acetone. These binuclear compounds display nu(NO) at ca. 1945 cm(-)(1), indicating that the nitrosyl group exhibits a sufficiently high degree of nitrosonium ion (NO(+)). The electronic spectrum of the [Ru(II)L(NH(3))(4)(pz)Ru(II)(bpy)(2)(NO)](5+) complex in aqueous solution displays the bands in the ultraviolet and visible regions typical of intraligand and metal-to-ligand charge transfers, respectively. Cyclic voltammograms of the binuclear complexes in acetonitrile give evidence of three one-electron redox processes consisting of one oxidation due to the Ru(2+/3+) redox couple and two reductions concerning the nitrosyl ligand. Flash photolysis of the [Ru(II)L(NH(3))(4)(pz)Ru(II)(bpy)(2)(NO)](5+) complex is capable of releasing nitric oxide (NO) upon irradiation at 355 and 532 nm. NO production was detected and quantified by an amperometric technique with a selective electrode (NOmeter). The irradiation at 532 nm leads to NO release as a consequence of a photoinduced electron transfer. All species exhibit similar photochemical behavior, a feature that makes their study extremely important for their future application in the upgrade of photodynamic therapy in living organisms.

Redox reactions of Cu(II)-amine complexes in aqueous solutions

International Nuclear Information System (INIS)

Kumbhar, A.G.; Kishore, Kamal

2003-01-01

A number of amines can be employed for all volatile treatment (AVT) of steam generator (SG) systems of nuclear power reactors. These amines form complexes with Cu 2+ and Ni 2+ ions which come into water due to corrosion. The redox reactions of a number of Cu(II)-AVT amine complexes and the stability of the transient species formed have been studied by pulse radiolysis technique. Rate constants for the reaction of e aq - with a number of Cu(II)-amine complexes have been determined by following the decay of e aq - absorption. Stability of Cu(I)-amine complexes was studied by following the kinetics of the bleaching signal formed at the λ max of the Cu(II) amine complex. Except for Cu(I)-triethanolamine complex all other Cu(I)-amine complexes were found to be stable. One-electron oxidation of Cu(II) amine complexes was studied using azidyl radicals for the oxidation reaction as OH radicals react with the alcohol groups present in the amines used in this study. Cu(III)-amine complexes were found to be unstable and decayed by second-order kinetics

Kinetics of oxidation of bilirubin and its protein complex by hydrogen peroxide in aqueous solutions

Science.gov (United States)

Solomonov, A. V.; Rumyantsev, E. V.; Antina, E. V.

2010-12-01

A comparative study of oxidation reactions of bilirubin and its complex with albumin was carried out in aqueous solutions under the action of hydrogen peroxide and molecular oxygen at different pH values. Free radical oxidation of the pigment in both free and bound forms at pH 7.4 was shown not to lead to the formation of biliverdin, but to be associated with the decomposition of the tetrapyrrole chromophore into monopyrrolic products. The effective and true rate constants of the reactions under study were determined. It was assumed that one possible mechanism of the oxidation reaction is associated with the interaction of peroxyl radicals and protons of the NH groups of bilirubin molecules at the limiting stage with the formation of a highly reactive radical intermediate. The binding of bilirubin with albumin was found to result in a considerable reduction in the rate of the oxidation reaction associated with the kinetic manifestation of the protein protection effect. It was found that the autoxidation of bilirubin by molecular oxygen with the formation of biliverdin at the intermediate stage can be observed with an increase in the pH of solutions.

Bäcklund transformation, analytic soliton solutions and numerical simulation for a (2+1)-dimensional complex Ginzburg-Landau equation in a nonlinear fiber

Science.gov (United States)

Yu, Ming-Xiao; Tian, Bo; Chai, Jun; Yin, Hui-Min; Du, Zhong

2017-10-01

In this paper, we investigate a nonlinear fiber described by a (2+1)-dimensional complex Ginzburg-Landau equation with the chromatic dispersion, optical filtering, nonlinear and linear gain. Bäcklund transformation in the bilinear form is constructed. With the modified bilinear method, analytic soliton solutions are obtained. For the soliton, the amplitude can decrease or increase when the absolute value of the nonlinear or linear gain is enlarged, and the width can be compressed or amplified when the absolute value of the chromatic dispersion or optical filtering is enhanced. We study the stability of the numerical solutions numerically by applying the increasing amplitude, embedding the white noise and adding the Gaussian pulse to the initial values based on the analytic solutions, which shows that the numerical solutions are stable, not influenced by the finite initial perturbations.

Application of High-Resolution Ultrasonic Spectroscopy for analysis of complex formulations. Compressibility of solutes and solute particles in liquid mixtures

International Nuclear Information System (INIS)

Buckin, V

2012-01-01

The paper describes key aspects of interpretation of compressibility of solutes in liquid mixtures obtained through high-resolution measurements of ultrasonic parameters. It examines the fundamental relationships between the characteristics of solutes and the contributions of solutes to compressibility of liquid mixtures expressed through apparent adiabatic compressibility of solutes, and adiabatic compressibility of solute particles. In addition, it analyses relationships between the adiabatic compressibility of solutes and the measured ultrasonic characteristics of mixtures. Especial attention is given to the effects of solvents on the measured adiabatic compressibility of solutes and on concentration increment of ultrasonic velocity of solutes in mixtures.

A surface complexation model of YREE sorption on Ulva lactuca in 0.05-5.0 M NaCl solutions

Science.gov (United States)

Zoll, Alison M.; Schijf, Johan

2012-11-01

We present distribution coefficients, log iKS, for the sorption of yttrium and the rare earth elements (YREEs) on BCR-279, a dehydrated tissue homogenate of a marine macroalga, Ulva lactuca, resembling materials featured in chemical engineering studies aimed at designing renewable biosorbents. Sorption experiments were conducted in NaCl solutions of different ionic strength (0.05, 0.5, and 5.0 M) at T = 25 °C over the pH range 2.7-8.5. Distribution coefficients based on separation of the dissolved and particulate phase by conventional filtration (3 kDa) using an existing pH-dependent model. Colloid-corrected values were renormalized to free-cation concentrations by accounting for YREE hydrolysis and chloride complexation. At each ionic strength, the pH dependence of the renormalized values is accurately described with a non-electrostatic surface complexation model (SCM) that incorporates YREE binding to three monoprotic functional groups, previously characterized by alkalimetric titration, as well as binding of YREE-hydroxide complexes (MOH2+) to the least acidic one (pKa ∼ 9.5). In non-linear regressions of the distribution coefficients as a function of pH, each pKa was fixed at its reported value, while stability constants of the four YREE surface complexes were used as adjustable parameters. Data for a single fresh U. lactuca specimen in 0.5 M NaCl show generally the same pH-dependent behavior but a lower degree of sorption and were excluded from the regressions. Good linear free-energy relations (LFERs) between stability constants of the YREE-acetate and YREE-hydroxide solution complex and surface complexes with the first and third functional group, respectively, support their prior tentative identifications as carboxyl and phenol. A similar confirmation for the second group is precluded by insufficient knowledge of the stability of YREE-phosphate complexes and a perceived lack of YREE binding in 0.05 M NaCl; this issue awaits further study. The results

Positron annihilation in liquids and in solutions containing electron acceptors and charge-transfer complexes

International Nuclear Information System (INIS)

Jansen, P.

1976-05-01

Positron lifetime measurements and angular correlation measurements were performed in several organic liquids. The results strongly indicate that positronium is contained in a 'bubble' in the liquids. The radius of the bubble can be estimated by using broadness of the narrow component in the angular correlation distribution, and by using the surface tension of the liquids. Both methods give bubble radii from 4-7 A in the solvents investigated. The bubble influences the reaction mechanism between Ps and weak electron acceptors in such a way that the presence of the bubble decreases the reactivity of Ps. Positron lifetime measurements were also performed on a series of mixtures of organic liquids and on electron acceptors and charge-transfer complexes in solution. The results were is agreement with the spur model of Ps formation. (Auth.)

Fabrication of Chitosan-complexed Electrode and Evaluation of Its Efficiency in Removal of Copper Ion from Aqueous Solution

Directory of Open Access Journals (Sweden)

Yoon Young-Chan

2016-01-01

Full Text Available In this study, we fabricated chitosan/PVA/activated carbon complexed electrode to remove copper ion from aqueous solution. The prepared composite electrode was analyzed by BET and SEM to investigate its physicochemical properties. Electrochemical properties of prepared composite electrodes were analyzed via cyclic voltammetry. Adsorption performance of copper ion on chitosan composite complexed electrodes was evaluated. Almost similar pore size distribution results were observed in the series of ACP not included electrodes while observed differences in pore size distribution for the ACP included one. Cyclic voltammetry results exhibited that oxidation-reduction reaction does not occur in a potential range of -1.0 ~ 1.0 V. The amount of copper ion during adsroption reaction is increase according to increase of adsorption potential to 1.0 V.

One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions

DEFF Research Database (Denmark)

Hršak, Dalibor; Nørby, Morten Steen; Coriani, Sonia

2018-01-01

We present a formulation of the polarizable density embedding (PDE) method in combination with the complex polarization propagator (CPP) method for the calculation of absorption spectra of molecules in solutions. The method is particularly useful for the calculation of near-edge X-ray absorption...... fine structure (NEXAFS) spectra. We compare the performance of PDE-CPP with the previously formulated polarizable embedding (PE)-CPP model for the calculation of the NEXAFS spectra of adenine, formamide, glycine, and adenosine triphosphate (ATP) in water at the carbon and nitrogen K-edges, as well...

Dinitrosyl iron complexes with natural thiol-containing ligands in aqueous solutions: Synthesis and some physico-chemical characteristics (A methodological review).

Science.gov (United States)

Vanin, Anatoly F; Borodulin, Rostislav R; Mikoyan, Vasak D

2017-06-01

Two approaches to the synthesis of dinitrosyl iron complexes (DNIC) with glutathione and l-cysteine in aqueous solutions based on the use of gaseous NO and appropriate S-nitrosothiols, viz., S-nitrosoglutathione (GS-NO) or S-nitrosocysteine (Cys-NO), respectively, are considered. A schematic representation of a vacuum unit for generation and accumulation of gaseous NO purified from the NO 2 admixture and its application for obtaining aqueous solutions of DNIC in a Thunberg apparatus is given. To achieve this, a solution of bivalent iron in distilled water is loaded into the upper chamber of the Thunberg apparatus, while the thiol solution in an appropriate buffer (рН 7.4) is loaded into its lower chamber. Further steps, which include degassing, addition of gaseous NO, shaking of both solutions and formation of the Fe 2+ -thiol mixture, culminate in the synthesis of DNIC. The second approach consists in a stepwise addition of Fe 2+ salts and nitrite to aqueous solutions of glutathione or cysteine. In the presence of Fe 2+ and after the increase in рН to the physiological level, GS-NO or Cys-NO generated at acid media (pH nitrosonium ions (NO + ) and the peculiar characteristics of the EPR signal of their mononuclear form (M-DNIC). Copyright © 2017. Published by Elsevier Inc.

Ferric and cobaltous hydroacid complexes for forward osmosis (FO) processes

KAUST Repository

Ge, Qingchun; Fu, Fengjiang; Chung, Neal Tai-Shung

2014-01-01

Cupric and ferric hydroacid complexes have proven their advantages as draw solutes in forward osmosis in terms of high water fluxes, negligible reverse solute fluxes and easy recovery (Ge and Chung, 2013. Hydroacid complexes: A new class of draw solutes to promote forward osmosis (FO) processes. Chemical Communications 49, 8471-8473.). In this study, cobaltous hydroacid complexes were explored as draw solutes and compared with the ferric hydroacid complex to study the factors influencing their FO performance. The solutions of the cobaltous complexes produce high osmotic pressures due to the presence of abundant hydrophilic groups. These solutes are able to dissociate and form a multi-charged anion and Na+ cations in water. In addition, these complexes have expanded structures which lead to negligible reverse solute fluxes and provide relatively easy approaches in regeneration. These characteristics make the newly synthesized cobaltous complexes appropriate as draw solutes. The FO performance of the cobaltous and ferric-citric acid (Fe-CA) complexes were evaluated respectively through cellulose acetate membranes, thin-film composite membranes fabricated on polyethersulfone supports (referred as TFC-PES), and polybenzimidazole and PES dual-layer (referred as PBI/PES) hollow fiber membranes. Under the conditions of DI water as the feed and facing the support layer of TFC-PES FO membranes (PRO mode), draw solutions at 2.0M produced relatively high water fluxes of 39-48 LMH (Lm-2hr-1) with negligible reverse solute fluxes. A water flux of 17.4 LMH was achieved when model seawater of 3.5wt.% NaCl replaced DI water as the feed and 2.0M Fe-CA as the draw solution under the same conditions. The performance of these hydroacid complexes surpasses those of the synthetic draw solutes developed in recent years. This observation, along with the relatively easy regeneration, makes these complexes very promising as a novel class of draw solutes. © 2014 Elsevier Ltd.

Ferric and cobaltous hydroacid complexes for forward osmosis (FO) processes

KAUST Repository

Ge, Qingchun

2014-07-01

Cupric and ferric hydroacid complexes have proven their advantages as draw solutes in forward osmosis in terms of high water fluxes, negligible reverse solute fluxes and easy recovery (Ge and Chung, 2013. Hydroacid complexes: A new class of draw solutes to promote forward osmosis (FO) processes. Chemical Communications 49, 8471-8473.). In this study, cobaltous hydroacid complexes were explored as draw solutes and compared with the ferric hydroacid complex to study the factors influencing their FO performance. The solutions of the cobaltous complexes produce high osmotic pressures due to the presence of abundant hydrophilic groups. These solutes are able to dissociate and form a multi-charged anion and Na+ cations in water. In addition, these complexes have expanded structures which lead to negligible reverse solute fluxes and provide relatively easy approaches in regeneration. These characteristics make the newly synthesized cobaltous complexes appropriate as draw solutes. The FO performance of the cobaltous and ferric-citric acid (Fe-CA) complexes were evaluated respectively through cellulose acetate membranes, thin-film composite membranes fabricated on polyethersulfone supports (referred as TFC-PES), and polybenzimidazole and PES dual-layer (referred as PBI/PES) hollow fiber membranes. Under the conditions of DI water as the feed and facing the support layer of TFC-PES FO membranes (PRO mode), draw solutions at 2.0M produced relatively high water fluxes of 39-48 LMH (Lm-2hr-1) with negligible reverse solute fluxes. A water flux of 17.4 LMH was achieved when model seawater of 3.5wt.% NaCl replaced DI water as the feed and 2.0M Fe-CA as the draw solution under the same conditions. The performance of these hydroacid complexes surpasses those of the synthetic draw solutes developed in recent years. This observation, along with the relatively easy regeneration, makes these complexes very promising as a novel class of draw solutes. © 2014 Elsevier Ltd.

Detailed solution to a complex kinematics chain manipulator

International Nuclear Information System (INIS)

March-Leuba, S.; Jansen, J.F.; Kress, R.L.; Babcock, S.M.

1992-01-01

This paper presents a relatively simple method based on planar geometry to analyze the inverse kinematics for closed kinematics chain (CKC) mechanisms. Although the general problem and method of approach are well defined, the study of the inverse kinematics of a closed-chain mechanism is a very complicated one. The current methodology allows closed-form solutions to be found, if a solution exists, for the displacements and velocities of all manipulator joints. Critical design parameters can be identified and optimized by using symbolic models. This paper will focus on planar closed-chain structures extended with a rotational base. However, with open and CKC mechanisms combined in different planes, the extension to the case is straightforward. Further, real-time algorithms are developed that can be handled by existing microprocessor technology. To clarify the methodology, the Soldier Robot Interface Project (SRIP) manipulator is analyzed, and a graphic simulation is presented as a verification of the results. This manipulator has 17 links, 24 one-degree-of-freedom (DOF) joints, and 7 CKC loops working in a plane and a rotational base, which determine its 3 DOFs. The SRIP manipulator allows a decoupled linear motion along the vertical or horizontal directions using only one of its linear actuators. The symbolic solution for the inverse kinematics allows optimization to be performed to further decouple the Cartesian motions by changing link lengths of the manipulator. The conclusion achieved by the optimization is that only two link lengths need to be changed to tune the manipulator for a perfect decoupling at each area of the workspace

NMR study of structure of lanthanide complexes in solution

International Nuclear Information System (INIS)

Choppin, G.R.

1976-01-01

The diagnostic value PMR studies of diamagnetic lanthanide complexes to define the nature of the species in the lanthanide-pyruvate system is discussed. The use of NMR spectra of both diamagnetic and paramagnetic lanthanide complexes to obtain detailed structural information is reviewed

Whole analogy between Daniel Bernoulli solution and direct kinematics solution

Directory of Open Access Journals (Sweden)

Filipović Mirjana

2010-01-01

Full Text Available In this paper, the relationship between the original Euler-Bernoulli's rod equation and contemporary knowledge is established. The solution which Daniel Bernoulli defined for the simplest conditions is essentially the solution of 'direct kinematics'. For this reason, special attention is devoted to dynamics and kinematics of elastic mechanisms configuration. The Euler-Bernoulli equation and its solution (used in literature for a long time should be expanded according to the requirements of the mechanisms motion complexity. The elastic deformation is a dynamic value that depends on the total mechanism movements dynamics. Mathematical model of the actuators comprises also elasticity forces.

Physical and chemical transformations of μ-oxo dimers and alkoxy complexes of Fe-octaethylporphyrins in solids and in solutions

Science.gov (United States)

Ivashin, N. V.; Shulga, A. M.; Terekhov, S. N.; Dzilinski, K.

1996-11-01

It has been found that relatively small changes in conditions of crystallization in the synthesis process of μ-oxo dimers can lead to quite different products with dimeric or monomeric structures. Molecular structures of these products, discussed on the basis of Fe-octaethylporphyrin (FeOEP) complexes, have been studied using IR, NMR, EPR, resonance Raman (RR), mass and Mössbauer spectroscopies. The use of chloroform with admixture of alcohols (methanol, deuteromethanol and ethanol) in place of pure chloroform for crystallization of the eluate obtained during synthesis of μ-oxo dimers leads to the formation of alkoxy complexes instead of the μ-oxo dimers. It has been also established that dissolution of the μ-oxo dimers in chloroform-ethanol or chloroform-methanol mixtures leads to conversion of the μ-oxo dimers into the alkoxy complexes after evaporation of the solvents. Methoxy and ethoxy ligands in Fe(OEP)OCH 3 and Fe(OEP)OC 2H 5 complexes can exchange the positions during addition of ethanol to the former and methanol to the latter complex in solution. The possibility of generation of doubly bridged structures of the type: OEP Fe< RRFe OEP where R is OCH 3 or OC 2H 5 is discussed.

Semi-mechanistic partial buffer approach to modeling pH, the buffer properties, and the distribution of ionic species in complex solutions.

Science.gov (United States)

Dougherty, Daniel P; Da Conceicao Neta, Edith Ramos; McFeeters, Roger F; Lubkin, Sharon R; Breidt, Frederick

2006-08-09

In many biological science and food processing applications, it is very important to control or modify pH. However, the complex, unknown composition of biological media and foods often limits the utility of purely theoretical approaches to modeling pH and calculating the distributions of ionizable species. This paper provides general formulas and efficient algorithms for predicting the pH, titration, ionic species concentrations, buffer capacity, and ionic strength of buffer solutions containing both defined and undefined components. A flexible, semi-mechanistic, partial buffering (SMPB) approach is presented that uses local polynomial regression to model the buffering influence of complex or undefined components in a solution, while identified components of known concentration are modeled using expressions based on extensions of the standard acid-base theory. The SMPB method is implemented in a freeware package, (pH)Tools, for use with Matlab. We validated the predictive accuracy of these methods by using strong acid titrations of cucumber slurries to predict the amount of a weak acid required to adjust pH to selected target values.

Study of new complexes of uranium and comba radical. I.- Complexes defective in sodium carbonate

International Nuclear Information System (INIS)

Vera Palomino, J.; Galiano Sedano, J. A.; Parellada Bellod, R.; Bellido Gonzalez, A.

1975-01-01

Some complexes formed in presence of defect of sodium carbonate with respect to the stoichiometric ratio (U): (C0 3 ) = 1:3 are studied. This ratio corresponds to the main complex which is responsible for the uranium extraction with CDMBAC organic solutions and from U(VI) aqueous solutions with an excess of sodium carbonate. (Author) 10 refs

Flotation separation of hafnium(IV) from aqueous solutions

International Nuclear Information System (INIS)

Downey, D.M.; Narick, C.N.; Cohen, T.A.

1985-01-01

A simple, rapid method for the separation of hafnium from aqueous solutions was investigated using sup(175+181)Hf tracer. Cationic hafnium complex ions were floated from dilute acid solutions with sodium lauryl sulfate (SLS) and anionic hafnium complexes were floated from basic and oxalic acid solutions with hexadecyltrimethyl ammonium bromide (HTMAB). The conditions necessary for quantitative recovery of the metal and mechanisms of flotation are described. (author)

Thermal and volumetric properties of complex aqueous electrolyte solutions using the Pitzer formalism - The PhreeSCALE code

Science.gov (United States)

Lach, Adeline; Boulahya, Faïza; André, Laurent; Lassin, Arnault; Azaroual, Mohamed; Serin, Jean-Paul; Cézac, Pierre

2016-07-01

The thermal and volumetric properties of complex aqueous solutions are described according to the Pitzer equation, explicitly taking into account the speciation in the aqueous solutions. The thermal properties are the apparent relative molar enthalpy (Lϕ) and the apparent molar heat capacity (Cp,ϕ). The volumetric property is the apparent molar volume (Vϕ). Equations describing these properties are obtained from the temperature or pressure derivatives of the excess Gibbs energy and make it possible to calculate the dilution enthalpy (∆HD), the heat capacity (cp) and the density (ρ) of aqueous solutions up to high concentrations. Their implementation in PHREEQC V.3 (Parkhurst and Appelo, 2013) is described and has led to a new numerical tool, called PhreeSCALE. It was tested first, using a set of parameters (specific interaction parameters and standard properties) from the literature for two binary systems (Na2SO4-H2O and MgSO4-H2O), for the quaternary K-Na-Cl-SO4 system (heat capacity only) and for the Na-K-Ca-Mg-Cl-SO4-HCO3 system (density only). The results obtained with PhreeSCALE are in agreement with the literature data when the same standard solution heat capacity (Cp0) and volume (V0) values are used. For further applications of this improved computation tool, these standard solution properties were calculated independently, using the Helgeson-Kirkham-Flowers (HKF) equations. By using this kind of approach, most of the Pitzer interaction parameters coming from literature become obsolete since they are not coherent with the standard properties calculated according to the HKF formalism. Consequently a new set of interaction parameters must be determined. This approach was successfully applied to the Na2SO4-H2O and MgSO4-H2O binary systems, providing a new set of optimized interaction parameters, consistent with the standard solution properties derived from the HKF equations.

Phase Equilibria for Complex Polymer Solutions

DEFF Research Database (Denmark)

Lindvig, Thomas; Hestkjær, L. L.; Hansen, A. F.

2002-01-01

the content of organic solvents. This work presents an investigation of the three polymer models Entropic-FV (EFV). UNIFAC-FV (UFV) and GC-Flory (GCF) for their capability of predicting solvent activity coefficients in binary systems containing complex polymers. It is possible to obtain good predictions...... at finite concentrations and satisfactory predictions at infinite dilution, particularly with the EFV model. The investigation shows that EFV is the most robust and stable of the models, which indicates that it is the most well suited model for further development of methods for predicting the miscibility...

Coprecipitation of 137Cs and 85Sr microquantities with complex compound [M(18-crown-6)]BPH4 (M=Na+, Cs+) from neutral and alkaline solutions

International Nuclear Information System (INIS)

Konovalova, N.A.; Rumer, I.A.; Kulyukhin, S.A.

2009-01-01

The paper reports the possibility of joint separation of 137 Cs and 85 Sr from neutral and alkaline aqueous solutions by their coprecipitation with the solid phase of complex compounds [M(18-crown-6)]BPh 4 (M=Na + , Cs + ), as well as to study the coprecipitation of 137 Cs and 85 Sr with the solid phase CsBPh 4 . It is found that complex compounds [M(18-crown-6)]BPh 4 (M=Na + , Cs + ) increased the degree of 85 Sr separation from solutions virtually two- to threefold vs. CsBPh 4 . Chloride and nitrate were found to have hardly any impact on the coprecipitation of 137 Cs and 85 Sr with [M(18-crown-6)]BPh 4 (M = Na + , Cs + ). (orig.)

Comparative study of the efficiency of complex formation and extraction of thorium by solutions of certain alkylaromatic α-hydroxy acids in heptanol

International Nuclear Information System (INIS)

Charykov, A.K.; Aleksandrova, E.A.; Vasil'eva, O.N.

1986-01-01

The constants for the extraction of thorium by solutions of alkylaromatic α-hydroxy acids in heptanol occur in the order log K/sub ex/ (hydroxydiphenylacetic acid) > log K/sub ex/ (phenoxyacetic acid) > log K/sub ex/ (hydroxyphenylacetic acid). For the example of extraction equilibria involving the participation of thorium carboxylate complexes an extraction efficiency parameter is introduced which enables the efficiency of extraction to be predicted on the basis of information on the formation constants of the neutral complexes and the dissociation constants of the extractant acids in the aqueous phase

Room temperature electrodeposition of actinides from ionic solutions

Science.gov (United States)

Hatchett, David W.; Czerwinski, Kenneth R.; Droessler, Janelle; Kinyanjui, John

2017-04-25

Uranic and transuranic metals and metal oxides are first dissolved in ozone compositions. The resulting solution in ozone can be further dissolved in ionic liquids to form a second solution. The metals in the second solution are then electrochemically deposited from the second solutions as room temperature ionic liquid (RTIL), tri-methyl-n-butyl ammonium n-bis(trifluoromethansulfonylimide) [Me.sub.3N.sup.nBu][TFSI] providing an alternative non-aqueous system for the extraction and reclamation of actinides from reprocessed fuel materials. Deposition of U metal is achieved using TFSI complexes of U(III) and U(IV) containing the anion common to the RTIL. TFSI complexes of uranium were produced to ensure solubility of the species in the ionic liquid. The methods provide a first measure of the thermodynamic properties of U metal deposition using Uranium complexes with different oxidation states from RTIL solution at room temperature.

Capitalizing Resolving Power of Density Gradient Ultracentrifugation by Freezing and Precisely Slicing Centrifuged Solution: Enabling Identification of Complex Proteins from Mitochondria by Matrix Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

Directory of Open Access Journals (Sweden)

Haiqing Yu

2016-01-01

Full Text Available Density gradient centrifugation is widely utilized for various high purity sample preparations, and density gradient ultracentrifugation (DGU is often used for more resolution-demanding purification of organelles and protein complexes. Accurately locating different isopycnic layers and precisely extracting solutions from these layers play a critical role in achieving high-resolution DGU separations. In this technique note, we develop a DGU procedure by freezing the solution rapidly (but gently after centrifugation to fix the resolved layers and by slicing the frozen solution to fractionate the sample. Because the thickness of each slice can be controlled to be as thin as 10 micrometers, we retain virtually all the resolution produced by DGU. To demonstrate the effectiveness of this method, we fractionate complex V from HeLa mitochondria using a conventional technique and this freezing-slicing (F-S method. The comparison indicates that our F-S method can reduce complex V layer thicknesses by ~40%. After fractionation, we analyze complex V proteins directly on a matrix assisted laser desorption/ionization, time-of-flight mass spectrometer. Twelve out of fifteen subunits of complex V are positively identified. Our method provides a practical protocol to identify proteins from complexes, which is useful to investigate biomolecular complexes and pathways in various conditions and cell types.

Americium separations from high salt solutions

International Nuclear Information System (INIS)

Barr, Mary E.; Jarvinen, Gordon D.; Schulte, Louis D.; Stark, Peter C.; Chamberlin, Rebecca M.; Abney, Kent D.; Ricketts, Thomas E.; Valdez, Yvette E.; Bartsch, Richard A.

2000-01-01

Americium (III) exhibits an unexpectedly high affinity for anion-exchange material from the high-salt evaporator bottoms solutions--an effect which has not been duplicated using simple salt solutions. Similar behavior is observed for its lanthanide homologue, Nd(III), in complex evaporator bottoms surrogate solutions. There appears to be no single controlling factor--acid concentration, total nitrate concentration or solution ionic strength--which accounts for the approximately 2-fold increase in retention of the trivalent ions from complex solutions relative to simple solutions. Calculation of species activities (i.e., water, proton and nitrate) in such concentrated mixed salt solutions is difficult and of questionable accuracy, but it is likely that the answer to forcing formation of anionic nitrate complexes of americium lies in the relative activities of water and nitrate. From a practical viewpoint, the modest americium removal needs (ca. 50--75%) from nitric acid evaporator bottoms allow sufficient latitude for the use of non-optimized conditions such as running existing columns filled with older, well-used Reillex HPQ. Newer materials, such as HPQ-100 and the experimental bifunctional resins, which exhibit higher distribution coefficients, would allow for either increased Am removal or the use of smaller columns. It is also of interest that one of the experimental neutral-donor solid-support extractants, DHDECMP, exhibits a similarly high level of americium (total alpha) removal from EV bottoms and is much less sensitive to total acid content than commercially-available material

Isolation of an oxomanganese(V) porphyrin intermediate in the reaction of a manganese(III) porphyrin complex and H2O2 in aqueous solution.

Science.gov (United States)

Nam, Wonwoo; Kim, Inwoo; Lim, Mi Hee; Choi, Hye Jin; Lee, Je Seung; Jang, Ho G

2002-05-03

The reaction of [Mn(TF(4)TMAP)](CF(3)SO(3))(5) (TF(4)TMAP=meso-tetrakis(2,3,5,6-tetrafluoro-N,N,N-trimethyl-4-aniliniumyl)porphinato dianion) with H(2)O(2) (2 equiv) at pH 10.5 and 0 degrees C yielded an oxomanganese(V) porphyrin complex 1 in aqueous solution, whereas an oxomanganese(IV) porphyrin complex 2 was generated in the reactions of tert-alkyl hydroperoxides such as tert-butyl hydroperoxide and 2-methyl-1-phenyl-2-propyl hydroperoxide. Complex 1 was capable of epoxidizing olefins and exchanging its oxygen with H(2) (18)O, whereas 2 did not epoxidize olefins. From the reactions of [Mn(TF(4)TMAP)](5+) with various oxidants in the pH range 3-11, the O-O bond cleavage of hydroperoxides was found to be sensitive to the hydroperoxide substituent and the pH of the reaction solution. Whereas the O-O bond of hydroperoxides containing an electron-donating tert-alkyl group is cleaved homolytically, an electron-withdrawing substituent such as an acyl group in m-chloroperoxybenzoic acid (m-CPBA) facilitates O-O bond heterolysis. The mechanism of the O-O bond cleavage of H(2)O(2) depends on the pH of the reaction solution: O-O bond homolysis prevails at low pH and O-O bond heterolysis becomes a predominant pathway at high pH. The effect of pH on (18)O incorporation from H(2) (18)O into oxygenated products was examined over a wide pH range, by carrying out the epoxidation of carbamazepine (CBZ) with [Mn(TF(4)TMAP)](5+) and KHSO(5) in buffered H(2) (18)O solutions. A high proportion of (18)O was incorporated into the CBZ-10,11-oxide product at all pH values but this proportion was not affected significantly by the pH of the reaction solution.

Flotation separation of hafnium(IV) from aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Downey, D.M.; Narick, C.N.; Cohen, T.A.

1985-09-01

A simple, rapid method for the separation of hafnium from aqueous solutions was investigated using sup(175 + 181)Hf tracer. Cationic hafnium complex ions were floated from dilute acid solutions with sodium lauryl sulfate (SLS) and anionic hafnium complexes were floated from basic and oxalic acid solutions with hexadecyltrimethyl ammonium bromide (HTMAB). The conditions necessary for quantitative recovery of the metal and mechanisms of flotation are described. (author). 21 refs.; 5 figs.

Computational error and complexity in science and engineering computational error and complexity

CERN Document Server

Lakshmikantham, Vangipuram; Chui, Charles K; Chui, Charles K

2005-01-01

The book "Computational Error and Complexity in Science and Engineering” pervades all the science and engineering disciplines where computation occurs. Scientific and engineering computation happens to be the interface between the mathematical model/problem and the real world application. One needs to obtain good quality numerical values for any real-world implementation. Just mathematical quantities symbols are of no use to engineers/technologists. Computational complexity of the numerical method to solve the mathematical model, also computed along with the solution, on the other hand, will tell us how much computation/computational effort has been spent to achieve that quality of result. Anyone who wants the specified physical problem to be solved has every right to know the quality of the solution as well as the resources spent for the solution. The computed error as well as the complexity provide the scientific convincing answer to these questions. Specifically some of the disciplines in which the book w...

Coordination and structure of Ca(II)-acetate complexes in aqueous solution studied by a combination of Raman and XAFS spectroscopies

Science.gov (United States)

Muñoz Noval, Álvaro; Nishio, Daisuke; Kuruma, Takuya; Hayakawa, Shinjiro

2018-06-01

The determination of the structure of Ca(II)-acetate in aqueous solution has been addressed by combining Raman and X-ray absorption fine structure spectroscopies. The pH-dependent speciation of the acetate/Ca(II) system has been studied observing modifications in specific Raman bands of the carboxyl group. The current results evidence the Ca(II)-acetate above acetate pKa forms a bidentate complex and presents a coordination 6, in which the Ca-O shell radius decrease of about 0.1 Å with respect the hydrated Ca2+ with coordination 8. The experimental results show the OCO angle of the carboxyl in the complex is close to 124°, being the OCaO angle about 60°.

ComplexRec 2017

DEFF Research Database (Denmark)

a single step in the user's more complex background need. These background needs can often place a variety of constraints on which recommendations are interesting to the user and when they are appropriate. However, relatively little research has been done on these complex recommendation scenarios....... The ComplexRec 2017 workshop addressed this by providing an interactive venue for discussing approaches to recommendation in complex scenarios that have no simple one-size-fits-all-solution....

Copper complexation by tannic acid in aqueous solution

NARCIS (Netherlands)

Kraal, P.; Jansen, B.; Nierop, K.G.J.; Verstraten, J.M.

2006-01-01

The speciation of titrated copper in a dissolved tannic acid (TA) solution with an initial concentration of 4 mmol organic carbon ((OC)/l was investigated in a nine-step titration experiment (Cu/oC molar ratio = 0.0030-0.0567). We differentiated between soluble and insoluble Cu species by 0.45 mu m

Electron transfer reactions of metal complexes in solution

International Nuclear Information System (INIS)

Sutin, N.

1977-01-01

A few representative electron-transfer reactions are selected and their kinetic parameters compared with the predictions of activated complex models. Since Taube has presented an elegant treatment of intramolecular electron-transfer reactions, emphasis is on bimolecular reactions. The latter electron-transfer reactions are more complicated to treat theoretically since the geometries of their activated complexes are not as well known as for the intramolecular case. In addition in biomolecular reactions, the work required to bring the two reactants together needs to be calculated. Since both reactants generally carry charges this presents a non-trivial problem at the ionic strengths usually used to study bimolecular electron transfer

Complexation study of NpO2+ and UO22+ ions with several organic ligands in aqueous solutions of high ionic strength

International Nuclear Information System (INIS)

Borkowski, M.; Lis, S.; Choppin, G.R.

1995-01-01

The acid dissociation constants, pK a , and the stability constants for NpO 2 + and UO 2 2+ have been measured for certain organic ligands [acetate, α-hydroxyisobutyrate, lactate, ascorbate, oxalate, citrate, EDTA, 8-hydroxyquinoline, 1, 10-phenanthroline, and thenoyltrifluoroacetone] in 5 m (NaCl) ionic strength solution. The pK a values were determined by potentiometry or spectrometry. These methods, as well as solvent extraction with 233 U and 237 Np radiotracers, were used to measure the stability constants of the 1:1 and 1:2 complexes of dioxo cations. These constants were used to estimate the concentrations required to result in 10 % competition with hydrolysis in the 5 m NaCl solution. Such estimates are of value in assessing the solubility from radioactive waste of AnO 2 + and AnO 2 2+ in brine solutions in contact with nuclear waste in a salt-bed repository

Separation of polythionates and the gold thiosulfate complex in gold thiosulfate leach solutions by ion-interaction chromatography.

Science.gov (United States)

O'Reilly, John W; Shaw, Matthew J; Dicinoski, Greg W; Grosse, Andrew C; Miura, Yasuyuki; Haddad, Paul R

2002-07-01

A method for the separation of the polythionates (SxO6(2-), x = 3-5) in gold thiosulfate leach solutions using ion-interaction chromatography with conductivity and ultraviolet (UV) detection is described. Polythionates were eluted within 18 min using an eluent comprising an acetonitrile step gradient at 0.0 min from 15% v/v to 28% v/v, 3 mM TBAOH, and 2.5 mM sodium carbonate, operated using a Dionex NS1-5 micron column with guard. The developed method was capable of separating the gold thiosulfate complex ion in standard solutions, but quantification of this species in realistic leach solutions proved impractical due to a self-elution effect that caused the gold peak to be eluted as a broad band. Detection limits for polythionates using a 10 microL injection volume ranged between 1-6 mg L(-1) (5-23 microM) for conductivity and 0.8-13 mg L(-1) (4-68 microM) for UV detection, based on a signal-to-noise ratio of 2. Calibration was linear over the ranges 5-2000, 10-2000 and 25-2500 mg L(-1) for trithionate, tetrathionate and pentathionate, respectively. The technique was applied successfully to leach liquors containing 0.5 M ammonium thiosulfate, 2 M ammonia, 0.05 M copper sulfate and 20 % m/v gold ore.

CFD code verification and the method of manufactured solutions

International Nuclear Information System (INIS)

Pelletier, D.; Roache, P.J.

2002-01-01

This paper presents the Method of Manufactured Solutions (MMS) for CFD code verification. The MMS provides benchmark solutions for direct evaluation of the solution error. The best benchmarks are exact analytical solutions with sufficiently complex solution structure to ensure that all terms of the differential equations are exercised in the simulation. The MMS provides a straight forward and general procedure for generating such solutions. When used with systematic grid refinement studies, which are remarkably sensitive, the MMS provides strong code verification with a theorem-like quality. The MMS is first presented on simple 1-D examples. Manufactured solutions for more complex problems are then presented with sample results from grid convergence studies. (author)

PROCESS FOR RECOVERY OF URANIUM VALUES FROM IMPURE SOLUTIONS THEREOF

Science.gov (United States)

Kilner, S.B.

1959-11-01

A process is presented for the recovery of uraninm values from impure solutions which are obtained, for example, by washing residual uranium salt or uranium metal deposits from stainless steel surfaces using an aqueous or certain acidic aqueous solutions. The solutions include uranyl and oxidized iron, chromium, nickel, and copper ions and may contain manganese, zinc, and silver ions. In accordance with one procedure. the uranyl ions are reduced to the uranous state, and the impurity ions are complexed with cyanide under acidic conditions. The solution is then treated with ammonium hydroxide or alkali metal hydroxide to precipitate uranous hydroxide away from the complexed impurity ions in the solution. Alternatively, an excess of alkali metal cyanide is added to the reduced solution until the solution becomes sufficiently alkaline for the uranons hydroxide to precipitate. An essential feature in operating the process is in maintaining the pH of the solution sufficiently acid during the complexing operation to prevent the precipitation of the impurity metal hydroxides.

Determination of stability constants of K and Cs nitrate complex with dicyclohexyl-18-crown-6 and dibenzo-18-crown-6 in isopropanol aqueous solutions

International Nuclear Information System (INIS)

Myasoedova, T.G.; Ponomareva, A.V.; Zagorets, P.A.; Filippov, E.A.

1984-01-01

Total stability constants of K and Cs nitrate complexes with dicyclohexyl-18-crown-6 and dibenzo-18-crown-6 in isopropanol aqueous solutions were determined by the method of low-frequency contact conductometry. Clearly defined K/Cs selectivity is observed for the system with dibenzo-18-crown-6. It is shown that lgβ depends on permittivity of the solvent. The decrease of permittivity of isopropanol aqueous solutions results in reduction of K/Cs selectivity of DB18C6

Determination of stability constants of K and Cs nitrate complex with dicyclohexyl-18-crown-6 and dibenzo-18-crown-6 in isopropanol aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Myasoedova, T G; Ponomareva, A V; Zagorets, P A; Filippov, E A [Moskovskij Khimiko-Tekhnologicheskij Inst. (USSR)

1984-08-01

Total stability constants of K and Cs nitrate complexes with dicyclohexyl-18-crown-6 and dibenzo-18-crown-6 in isopropanol aqueous solutions were determined by the method of low-frequency contact conductometry. Clearly defined K/Cs selectivity is observed for the system with dibenzo-18-crown-6. It is shown that lg..beta.. depends on permittivity of the solvent. The decrease of permittivity of isopropanol aqueous solutions results in reduction of K/Cs selectivity of DB18C6.

Effect of applied hydrostatic pressure on the quenching kinetics, and electronic and molecular structure of eight and nine-coordinate lanthanide complexes in solution

International Nuclear Information System (INIS)

Maupin, C.L.; Riehl, J.P.

1998-01-01

Full text: Applied hydrostatic pressure may be used as a probe of the reaction mechanism for various solution reactions involving lanthanide ions. In this work we report on the use of high pressure to probe the mechanism of enantioselective quenching between racemic luminescent lanthanide complexes containing Dy(III) Tb(III) and Eu(III), and optically active transition metal complexes as quenchers. Diastereomeric rate constants are obtained from a biexponential fit of the luminescence decay. Particular attention will be given to solvation effects on the measured diastereomeric rate constants. The source of chirality is ascribed to a enantioselective rearrangement step within a bimolecular 'encounter' complex yielding a intermolecular geometry in which the energy transfer is efficient. The effect of high pressure on the molecular and electronic structure of these complexes will also be discussed

Complex crystals formed in the aqueous solution of copper(I) iodide and sodium iodide

International Nuclear Information System (INIS)

Sugasaka, Kazuhiko; Fujii, Ayako

1977-01-01

Crystals of different crystal habits were separated from the copper(I) iodide and sodium iodide solution and the thermal changes of the composition of copper(I) iodide and sodium iodide complexes were studied by chemical analysis, thermal analysis and X-ray diffractometry. Granular and columnar crystals were determined to be copper(I) iodide and sodium iodide dihydrate by X-ray diffraction analysis, respectively. Needle crystal (A) which was separated from the solution at 25 0 C was assumed to be Na 2 CuI 3 .6H 2 O. (A) was stable in its appearance in the air, but the X-ray diffraction pattern of (A) changed. Needle crystal (B) which was recrystallized at 10 0 C from mother liquor after the separation of crystal (A) was assumed to be NaCuI 2 .4H 2 O. (B) was hygroscopic and decomposed to precipitate copper(I) iodide with moisture in the air. (A) and (B) were found to change by heating and or drying, respectively, as follows: Na 2 CuI 3 .6H 2 O → (-2H 2 O, 80 0 C) → 2NaI.2H 2 O + CuI → (-4H 2 O, 160 0 C) → 2NaI + CuI → (+1/2O 2 , 450 0 C) → 2NaI + CuO + 1/2I 2 , NaCuI 2 .4H 2 O → (-4H 2 O, Dried) → NaI + CuI. (auth.)

S-Adenosylmethionine conformations in solution and in protein complexes: Conformational influences of the sulfonium group

DEFF Research Database (Denmark)

Markham, George D.; Norrby, Per-Ola; Bock, Charles W.

2002-01-01

S-Adenosylmethionine (AdoMet) and other sulfonium ions play central roles in the metabolism of all organisms. The conformational preferences of AdoMet and two other biologically important sulfonium ions, S-methylmethionine and dimethylsulfonioproprionic acid, have been investigated by NMR...... and computational studies. Molecular mechanics parameters for the sulfonium center have been developed for the AMBER force field to permit analysis of NMR results and to enable comparison of the relative energies of the different conformations of AdoMet that have been found in crystal structures of complexes...... with proteins. S-Methylmethionine and S-dimethylsulfonioproprionate adopt a variety of conformations in aqueous solution; a conformation with an electrostatic interaction between the sulfonium sulfur and the carboxylate group is not noticeably favored, in contrast to the preferred conformation found by in vacuo...

Conductance Studies on Complex Formation between c-Methylcalix[4]resorcinarene and Titanium (III in Acetonitrile-H2O Binary Solutions

Directory of Open Access Journals (Sweden)

Naghmeh Saadati

2013-09-01

Full Text Available Calixresorcinarenes have proved to be unique molecules for molecular recognition via hydrogen bonding, hydrophobic and ionic interactions with suitable substrates such as cations. The study of the interactions involved in the complexation of different cations with calixresorcinarenes in solvent mixtures is important for a better understanding of the mechanism of biological transport, molecular recognition, and other analytical applications. This article summarizes different aspects of the complexes of the Ti3+ metal cation with c-methylcalix[4]resorcinarene (CMCR as studied by conductometry in acetonitrile (AN–water (H2O binary mixtures at different temperatures. Conductance data show that the metal cation/ligand (ML stoichiometry of the complexes in solution is 1:1 in all cases. Non-linear behaviour was observed for the variation of logKf of the complexes vs. the composition of the binary solvent mixtures. Selectivity of CMCR for the Ti3+ cation is sensitive to solvent composition; in some cases and at certain compositions of the mixed solvent systems, the selectivity order is changed. Values of thermodynamic parameters (, for formation of the CMCR–Ti3+ complexes in AN–H2O binary systems were obtained from the temperature dependence of stability constants, and the results show that the thermodynamics of complexation reactions are affected by the nature and composition of the mixed solvents.

Indium flotation from hydrometallurgical solutions

International Nuclear Information System (INIS)

Sviridov, V.V.; Mal'tsev, G.I.; Petryakova, N.K.; Gomzikov, A.I.

1980-01-01

The principal possibility of flotation of indium small quantities (10 -4 gxion/l) is established from sulphuric-acid solutions of leaching converter dusts of the copper melting production in the form of complex compounds with sodium hexametaphosphate and cation-active nitrogen-containing surfactants. It is shown that the flotation process effectiveness is determined by the molar ratio of hexametaphosphate and collector introduced into the solution, solution oxidity and surfactant nature

Aqueous Solution Chemistry of Plutonium

Energy Technology Data Exchange (ETDEWEB)

Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-01-28

Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.

Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).

Science.gov (United States)

Hancock, Robert D; Bartolotti, Libero J

2005-10-03

A prediction of the formation constants (log K1) for complexes of metal ions with a single NH3 ligand in aqueous solution, using quantum mechanical calculations, is reported. DeltaG values at 298 K in the gas phase for eq 1 (DeltaG(DFT)) were calculated for 34 metal ions using density functional theory (DFT), with the expectation that these would correlate with the free energy of complex formation in aqueous solution (DeltaG(aq)). [M(H2O)6]n+(g) + NH(3)(g) = [M(H2O)5NH3]n+(g) + H2O(g) (eq 1). The DeltaG(aq) values include the effects of complex changes in solvation on complex formation, which are not included in eq 1. It was anticipated that such changes in solvation would be constant or vary systematically with changes in the log K(1) value for different metal ions; therefore, simple correlations between DeltaG(DFT) and DeltaG(aq) were sought. The bulk of the log K1(NH3) values used to calculate DeltaG(aq) were not experimental, but estimated previously (Hancock 1978, 1980) from a variety of empirical correlations. Separate linear correlations between DeltaG(DFT) and DeltaG(aq) for metal ions of different charges (M2+, M3+, and M4+) were found. In plots of DeltaG(DFT) versus DeltaG(aq), the slopes ranged from 2.201 for M2+ ions down to 1.076 for M4+ ions, with intercepts increasing from M2+ to M4+ ions. Two separate correlations occurred for the M3+ ions, which appeared to correspond to small metal ions with a coordination number (CN) of 6 and to large metal ions with a higher CN in the vicinity of 7-9. The good correlation coefficients (R) in the range of 0.97-0.99 for all these separate correlations suggest that the approach used here may be the basis for future predictions of aqueous phase chemistry that would otherwise be experimentally inaccessible. Thus, the log K1(NH3) value for the transuranic Lr3+, which has a half-life of 3.6 h in its most stable isotope, is predicted to be 1.46. These calculations should also lead to a greater insight into the factors

Solute-solute interactions in intermetallic compounds

Energy Technology Data Exchange (ETDEWEB)

Banerjee, Debashis; Murray, Ryan; Collins, Gary S., E-mail: collins@wsu.edu [Washington State University, Department of Physics and Astronomy (United States); Zacate, Matthew O. [Northern Kentucky University, Department of Physics and Geology (United States)

2017-11-15

Experiments were carried out on highly ordered GdAl{sub 2} samples containing extremely dilute mole fractions of{sup 111}In/Cd probe-atom solutes (about 10{sup −11}), intrinsic antisite atoms Al{sub Gd} having mole fractions of order 0-10{sup −2}, and doped with Ag solutes at mole fractions of order 10{sup −2}. Three types of defect interactions were investigated. (1) Quadrupole interactions caused by Ag-solute atoms neighboring{sup 111}In/Cd solute probe atoms were detected using the method of perturbed angular correlation of gamma rays (PAC). Three complexes of pairs of In-probes and Ag-solutes occupying neighboring positions on Gd- and Al-sublattices were identified by comparing site fractions in Gd-poor and Gd-rich GdAl{sub 2}(Ag) samples and from the symmetry of the quadrupole interactions. Interaction enthalpies between solute-atom pairs were determined from temperature dependences of observed site fractions. Repulsive interactions were observed for close-neighbor complexes In{sub Gd}+Ag{sub Gd} and In{sub Gd}+Ag{sub Al} pairs, whereas a slightly attractive interaction was observed for In{sub Al}+Ag{sub Al}. Interaction enthalpies were all small, in the range ±0.15 eV. (2) Quadrupole interactions caused by intrinsic antisite atoms Al{sub Gd} neighboring In{sub Gd} probes were also detected and site fractions measured as a function of temperature, as in previous work on samples not doped with Ag-solutes [Temperature- and composition-driven changes in site occupation of solutes in Gd{sub 1+3x}Al{sub 2−3x}, Zacate and Collins (Phys. Rev. B69, 174202 (1))]. However, the effective binding enthalpy between In{sub Gd} probe and Al{sub Gd} antisite was found to change sign from -0.12 eV (attractive interaction) in undoped samples to + 0.24 eV (repulsive) in Ag-doped samples. This may be attributed to an attractive interaction between Al{sub Gd} antisite atoms and Ag-dopants that competes with the attractive interaction between In{sub Gd} and Al{sub Gd

Synthesis and structure of cerium nitrosocarbonylcyanmethanid complex

International Nuclear Information System (INIS)

Gerasimenko, H.; Scopenko, V.V.; Kapshuk, A.A.

1998-01-01

Full text: The complex compound [CeL 4 Dy 2 ]Na*2Ac (where L- nitrosocarbonylcyanmethanid, Dy -- dipyridile, Ac - acetone) were synthesised by interaction of cerium chloride and sodium nitrosocarbonylcyanmethanid from acetone solution. After two hours of mixing the dipyridil solution in acetone was added for complex stabilization. After filtration solution was put to desiccator for crystallisation. The complex was studied using IR- and UV-spectroscopy. The structure of the complex was determined using X-ray structure analysis. It was found that the structure of the complex belongs to orthorhombic Pna2(1) syngony with the unit cell parameters 17.010, 16.280 and 16.340Angstroms, respectively. It was found that cerium in the compound was eight co-ordinated. Four nitroso ligands were co-ordinated by bidentate bridge method and two dipyridiles by bidentate-cycle method

Reactive oxygen species generation in aqueous solutions containing GdVO4:Eu3+ nanoparticles and their complexes with methylene blue

Science.gov (United States)

Hubenko, Kateryna; Yefimova, Svetlana; Tkacheva, Tatyana; Maksimchuk, Pavel; Borovoy, Igor; Klochkov, Vladimir; Kavok, Nataliya; Opolonin, Oleksander; Malyukin, Yuri

2018-04-01

It this letter, we report the study of free radicals and reactive oxygen species (ROS) generation in water solutions containing gadolinium orthovanadate GdVO4:Eu3+ nanoparticles (VNPs) and their complexes with methylene blue (MB) photosensitizer. The catalytic activity was studied under UV-Vis and X-ray irradiation by three methods (conjugated dienes test, OH· radical, and singlet oxygen detection). It has been shown that the VNPs-MB complexes reveal high efficiency of ROS generation under UV-Vis irradiation associated with both high efficiency of OH· radicals generation by VNPs and singlet oxygen generation by MB due to nonradiative excitation energy transfer from VNPs to MB molecules. Contrary to that under X-ray irradiation, the strong OH . radicals scavenging by VNPs has been observed.

XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Summary of reports

International Nuclear Information System (INIS)

2011-01-01

The collection contains materials of plenary, sectional and poster sessions, presented at the XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Theoretical questions and new experimental methods of chemistry of solutions, structure and dynamics of molecular and ion-molecular systems in solution and at the phase boundary; modern aspects of applied chemistry of solutions are discussed [ru

Study of liquids and solutions

International Nuclear Information System (INIS)

Bellissent-Funel, M.C.

1994-01-01

A critical review of what has been achieved on the structure of liquids and solutions and the capabilities and developments of neutron scattering in this domain, are presented. A great variety of simple to complex systems has been investigated with the aim of obtaining a full microscopic description of the structure. Selected examples demonstrate the neutron scattering determination of interaction potentials, intermolecular structures and partial structure factors of complex systems. The isotopic substitution method is illustrated by the application to the study of the solvation of ions in aqueous and non aqueous solutions. (author). 9 figs., 32 refs

NMR studies of structures of lanthanide dicarboxylate complexes in solution

International Nuclear Information System (INIS)

Choppin, G.R.; Kullberg, L.

PMR pand 13 C shift data were measured for complexes of Pr(III), Eu(III) and Yb(III) with ethylene 1,2-dioxydiacetate (EDODA), ethylene 1,2-dithiodiacetate (EDSDA), and ethylene, 1,2-diaminodiacetate (EDDA). Solubility problems limited analysis of the EDSDA and EDDA data to qualitative evaluation. In the EDSDA complexes, the data indicate that the sulfur atoms do not participate in bonding to the lanthanide cations. Moreover, both carboxylate groups seem to bind Pr and Eu while Yb interacts with only a single carboxylate group. The EDDA complexes are tetradentate with long lived (NMR scale) Ln-N bonds. Shift theory allowed more quantitative analysis of the EDODA complexes. They are tetradentate with a puckered chelate ring and Ln-O(ether) distances of 2.3 A

Ultrafast excited-state relaxation of a binuclear Ag(i) phosphine complex in gas phase and solution.

Science.gov (United States)

Kruppa, S V; Bäppler, F; Klopper, W; Walg, S P; Thiel, W R; Diller, R; Riehn, C

2017-08-30

The binuclear complex [Ag 2 (dcpm) 2 ](PF 6 ) 2 (dcpm = bis(dicyclohexylphosphino)methane) exhibits a structure with a close silver-silver contact mediated by the bridging ligand and thus a weak argentophilic interaction. Upon electronic excitation this cooperative effect is strongly increased and determines the optical and luminescence properties of the compound. We have studied here the ultrafast electronic dynamics in parallel in gas phase by transient photodissociation and in solution by transient absorption. In particular, we report the diverse photofragmentation pathways of isolated [Ag 2 (dcpm) 2 ] 2+ in an ion trap and its gas phase UV photodissociation spectrum. By pump-probe fragmentation action spectroscopy (λ ex = 260 nm) in the gas phase, we have obtained fragment-specific transients which exhibit a common ultrafast multiexponential decay. This is fitted to four time constants (0.6/5.8/100/>1000 ps), highlighting complex intrinsic photophysical processes. Remarkably, multiexponential dynamics (0.9/8.5/73/604 ps) are as well found for the relaxation dynamics in acetonitrile solution. Ab initio calculations at the level of approximate coupled-cluster singles-doubles (CC2) theory of ground and electronically excited states of the reduced model system [Ag 2 (dmpm) 2 ] 2+ (dmpm = bis(dimethylphosphino)methane) indicate a shortening of the Ag-Ag distance upon excitation by 0.3-0.4 Å. In C 2 geometry two close-lying singlet states S 1 ( 1 MC(dσ*-pπ), 1 B, 4.13 eV) and S 2 ( 1 MC(dσ*-pσ), 1 A, 4.45 eV) are found. The nearly dark S 1 state has not been reported so far. The excitation of the S 2 state carries a large oscillator strength for the calculated vertical transition (266 nm). Two related triplets are calculated at T 1 (3.87 eV) and T 2 (3.90 eV). From these findings we suggest possible relaxation pathways with the two short time constants ascribed to ISC/IVR and propose from the obtained similar values in gas phase that the fast solution dynamics

OptiPrep? Density Gradient Solutions for Macromolecules and Macromolecular Complexes

Directory of Open Access Journals (Sweden)

John Graham

2002-01-01

Full Text Available Any density gradient for the isolation of mammalian cells should ideally only expose the sedimenting particles to an increasing concentration of the gradient solute. Thus they will experience only an increasing density and viscosity, other parameters such as osmolality, pH, ionic strength and the concentration of important additives (such as EDTA or divalent cations should remain as close to constant as possible. This Protocol Article describes the strategies for the dilution of OptiPrep™ in order to prepare such solutions for mammalian cells.

New analytical solutions for nonlinear physical models of the ...

Indian Academy of Sciences (India)

In mathematical physics, we studied two complex systems, the Maccari system and the coupled Higgs field equation. We construct sufficient exact solutions for nonlinear evolution equations. To study travelling wave solutions, we used a fractional complex transform to convert the particular partial differential equation of ...

Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes.

Science.gov (United States)

Taha, Mohamed; Khan, Imran; Coutinho, João A P

2016-04-01

With many metal-based drugs extensively used today in the treatment of cancer, attention has focused on the development of new coordination compounds with antitumor activity with europium(III) complexes recently introduced as novel anticancer drugs. The aim of this work is to design new Eu(III) complexes with gallic acid, an antioxida'nt phenolic compound. Gallic acid was chosen because it shows anticancer activity without harming health cells. As antioxidant, it helps to protect human cells against oxidative damage that implicated in DNA damage, cancer, and accelerated cell aging. In this work, the formation of binary and ternary complexes of Eu(III) with gallic acid, primary ligand, and amino acids alanine, leucine, isoleucine, and tryptophan was studied by glass electrode potentiometry in aqueous solution containing 0.1M NaNO3 at (298.2 ± 0.1) K. Their overall stability constants were evaluated and the concentration distributions of the complex species in solution were calculated. The protonation constants of gallic acid and amino acids were also determined at our experimental conditions and compared with those predicted by using conductor-like screening model for realistic solvation (COSMO-RS) model. The geometries of Eu(III)-gallic acid complexes were characterized by the density functional theory (DFT). The spectroscopic UV-visible and photoluminescence measurements are carried out to confirm the formation of Eu(III)-gallic acid complexes in aqueous solutions. Copyright © 2016 Elsevier Inc. All rights reserved.

Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes.

Science.gov (United States)

Ge, Qingchun; Han, Gang; Chung, Tai-Shung

2016-03-01

Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 10(4) to 1 × 10(6) μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

Algebraic solutions of anti-self-dual gravity

International Nuclear Information System (INIS)

Sheftel, M.B.

2011-01-01

Full text: (author)It is considered a four-dimensional PDE: complex Monge-Amp'ere equation (CMA), solutions of which govern anti-self-dual gravity, i.e. determine anti-self-dual Ricci-flat Kahler metrics, solutions of the vacuum Einstein equations with the Euclidean signature. It is used simultaneously two mutually complex conjugate pairs of partner symmetries of CMA related by a recursion relation. For both pairs of partner symmetries, using Lie equations, it is introduced explicitly group parameters as additional variables, replacing symmetry characteristics and their complex conjugates by derivatives of the unknown with respect to group parameters. It is studied the resulting system of six equations in the eight-dimensional space, that includes CMA, four equations of the recursion between partner symmetries and one integrability condition of this system. It is used point symmetries of this extended system for performing its symmetry reduction with respect to group parameters that facilitates solving the extended system. This procedure does not imply a reduction in the number of physical variables and hence it is ended up with orbits of non-invariant solutions of CMA, generated by one partner symmetry, not used in the reduction. These solutions are determined by six linear equations with constant coefficients in the five-dimensional space which are obtained by a three-dimensional Legendre transformation of the reduced extended system. It is presented an example of algebraic solutions that govern Legendre-transformed Ricci-flat Kahler metrics with no Killing vectors. It is defined as a set of roots of a homogeneous polynomial of degree 6 in the six complex variables which determines a four-dimensional compact manifold in a five-dimensional complex projective space

Decontamination of soils by irrigation with solutions containing complexing agents

International Nuclear Information System (INIS)

Pimpl, M.; Schuettelkopf, H.

1982-01-01

Experiments in laboratory scale were performed to increase the mobility of Pu, Am, and Cm in soil. Soil columns of 30 cm in diameter and 40 cm of length were contaminated on the surface with 5 μCi of Pu, Am, and Cm, applied as nitrates. By irrigation with 0.1 M DTPA-solution the actinides were mobilized and migrated with the irrigation solution through the columns. The migration velocity was measured and compared to the calculated one. Conclusions for the application of this procedure in field experiments are drawn. (author)

Complexation of Np(V) in aqueous solutions

International Nuclear Information System (INIS)

Askarieh, M.M.; Hansford, M.I.; Staunton, S.; Rees, L.V.C.

1992-01-01

Various parameters affecting the diffusion coefficient of neptunium (V) in clay systems have been studied; e.g. clay mineralogy, the charge compensating cation in the clay, the ionic strength of a background perchlorate solution and the presence of three organic ligands. Several well established techniques have been employed to obtain stability constants for the neptunium systems; Np(V)/EDTA and Np(V)/citrate, Np(V)/Aldrich Humic Acid (AHA), Np(V)/Gorleben Humic Acid (GHA) and for the uranium systems U(VI)/EDTA, U(VI)/citrate and U(VI)/AHA. The experimental techniques employed were UV/visible spectroscopy, polarography, solvent extraction and ion exchange. (Author)

Complexation of Np(V) in aqueous solutions

International Nuclear Information System (INIS)

Askarieh, M.M.; Hansford, M.I.; Staunton, S.; Rees, L.V.C.

1993-01-01

Various parameters affecting the diffusion coefficient of neptunium (V) in clay systems have been studied; e.g. clay mineralogy, the charge compensating cation in the clay, the ionic strength of a background perchlorate solution and the presence of three organic ligands. Several well established techniques have been employed to obtain stability constants for the neptunium systems; Np(V) EDTA and Np(V)/citrate, Np(V)/Aldrich Humic Acid (AHA), Np(V)/Gorleben Hulic Acid (GHA) and for the uranium systems U(VI)/EDTA, U(VI)/citrate and U(VI)/AHA. The experimental techniques employed were UV/visible spectroscopy, polarography, solvent extraction and ion exchange. (author). 50 refs., 24 figs., 9 tabs

Fast and low-temperature sintering of silver complex using oximes as a potential reducing agent for solution-processible, highly conductive electrodes

International Nuclear Information System (INIS)

Yoo, Ji Hoon; Park, Su Bin; Kim, Ji Man; Han, Dae Sang; Chae, Jangwoo; Kwak, Jeonghun

2014-01-01

Highly conductive, solution-processed silver thin-films were obtained at a low sintering temperature of 100 °C in a short sintering time of 10 min by introducing oximes as a potential reductant for silver complex. The thermal properties and reducibility of three kinds of oximes, acetone oxime, 2-butanone oxime, and one dimethylglyoxime, were investigated as a reducing agent, and we found that the thermal decomposition product of oximes (ketones) accelerated the conversion of silver complex into highly conductive silver at low sintering temperature in a short time. Using the acetone oxime, the silver thin-film exhibited the lowest surface resistance (0.91 Ω sq −1 ) compared to those sing other oximes. The silver thin-film also showed a high reflectance of 97.8%, which is comparable to evaporated silver films. We also demonstrated inkjet printed silver patterns with the oxime-added silver complex inks. (paper)

Workshop on Recommendation in Complex Scenarios (ComplexRec 2017)

DEFF Research Database (Denmark)

Bogers, Toine; Koolen, Marijn; Mobasher, Bamshad

2017-01-01

Recommendation algorithms for ratings prediction and item ranking have steadily matured during the past decade. However, these state-of-the-art algorithms are typically applied in relatively straightforward scenarios. In reality, recommendation is often a more complex problem: it is usually just...... a single step in the user's more complex background need. These background needs can often place a variety of constraints on which recommendations are interesting to the user and when they are appropriate. However, relatively little research has been done on these complex recommendation scenarios....... The ComplexRec 2017 workshop addressed this by providing an interactive venue for discussing approaches to recommendation in complex scenarios that have no simple one-size-fits-all-solution....

Potentiometric studies on ternary complexes involving some divalent transition metal ions, gallic acid and biologically abundant aliphatic dicarboxylic acids in aqueous solutions

Directory of Open Access Journals (Sweden)

Abdelatty Mohamed Radalla

2015-06-01

Full Text Available Formation of binary and ternary complexes of the divalent transition metal ions, Cu2+, Ni2+, Co2+ and Zn2+ with gallic acid and the biologically important aliphatic dicarboxylic acids (adipic, succinic, malic, malonic, maleic, tartaric and oxalic acids were investigated by means of the potentiometric technique at 25 °C and I = 0.10 mol dm−3 NaNO3. The acid-base properties of the ligands were investigated and discussed. The acidity constants of gallic acid and aliphatic dicarboxylic acids were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the above experimental conditions. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes are inferred from the corresponding potentiometric pH-metric titration curves. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The values of Δ log K, percentage of relative stabilization (%R.S. and log X were evaluated and discussed. The concentration distribution of the various complex species formed in solution was evaluated and discussed. The mode of chelation of ternary complexes formed was ascertained by conductivity measurements.

Use of frontal analysis in ion exchange chromatography for the study of reactions of formation of complexes in solution. Application to hydrochloric complexes of nickel (II), cobalt (II) and copper (II)

International Nuclear Information System (INIS)

Tremillon, Bernard

1959-01-01

The ion exchanger column frontal analysis method provides a convenient way to study complex formation reactions when they are very unstable. It has the advantage of being much more sensitive and precise than the method (already used by other authors) of simple equilibrium between a solution and an ion exchanger. As an illustration of this method, the hydrochloric acid complexes NiCl + , CoCl + and CuCl + , have been studied, and their dissociation constants were determined (respectively 4.6 ± 0.1; 4.0 ± 0.1 and 2.5 ± 0.1, at an ionic strength substantially equal to 1.5). Reprint of a paper published in Bulletin de la Societe Chimique de France, 1958, p. 1483-1487 [fr

Radiolytic and photochemical reduction of carbon dioxide in solution catalyzed by transition metal complexes with some selected macrocycles

International Nuclear Information System (INIS)

Grodkowski, J.

2004-01-01

The main goal of the work presented in this report is an explanation of the mechanism of carbon dioxide (CO 2 ) reduction catalyzed by transition metal complexes with some selected macrocycles. The catalytic function of two electron exchange centers in the reduction of CO 2 , an inner metal and a macrocycle ring, was defined. Catalytic effects of rhodium, iron and cobalt porphyrins, cobalt and iron phthalocyanines and corroles as well as cobalt corrins have been investigated. CO 2 reduction by iron ions without presence of macrocycles and also in presence of copper compounds in aqueous solutions have been studied as well

Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

KAUST Repository

Schrittwieser, Stefan

2017-06-30

Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

KAUST Repository

Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang J.; Lentijo Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Schotter, Joerg

2017-01-01

Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

Some overdetermined systems of complex partial differential equations

International Nuclear Information System (INIS)

Le Hung Son.

1990-01-01

In this paper we extend some properties of analytic functions on several complex variables to solutions of overdetermined systems of complex partial differential equations. It is proved that many global properties of analytic functions are true for solutions of the Vekua system in special cases. The relation between analytic functions and solutions of quasi-linear systems is discussed in the paper. (author). 8 refs

Lanthanide complexes with pivaloylacetone

International Nuclear Information System (INIS)

Eliseeva, S.V.; Chugarov, N.V.; Kuz'mina, N.P.; Martynenko, L.I.; Nichiporuk, R.V.; Ivanov, S.A.

2003-01-01

Complexes Ln(pa) 3 ·2H 2 O (Ln=La, Gd, Lu, Hpa - pivaloylacetone) are synthesized and investigated by the methods of element, IR spectroscopic and thermal analyses. Behaviour of the complexes during heating in vacuum is compared with such one for acetylacetonates and dipivaloylmethanates. Structure of the complexes in solution is studied by 1 H NMR and MALDI-MS [ru

INTERCULTURAL MISUNDERSTANDINGS: CAUSES AND SOLUTIONS

Directory of Open Access Journals (Sweden)

Майкл Б Хиннер

2017-12-01

Full Text Available Intercultural misunderstandings involve a number of complex causes which can easily escalate into conflicts. Since conflicts are also complex, it is not easy to find solutions because there is no one solution for all problems. Systems Theory, transdisciplinarity, and the social ecological model take a holistic approach in investigating complex phenomena. They permit the creation of a theoretical framework based on previous empirical research and theories across scientific disciplines to identify the relevant elements of complex phenomena and to understand the interrelationship of these elements. Intercultural misunderstandings and conflicts are very complex phenomena because they include culture, perception, identity, ethnocentrism, relationships, trust building and conflict management as well as intercultural commu-nication competence which entails cognition, metacognition, and social metacognition. Since most em-pirical studies focus on isolated, individual elements in specific contexts, this article describes the theoretical framework of how the various findings and theories developed in different scientific disciplines can be used to form a cohesive framework to help circumvent intercultural misunderstandings and conflicts. In so doing, it follows the general principles of Systems Theory, transdisciplinarity, and the social ecological model.

Comparative Analysis of the Main Business Intelligence Solutions

OpenAIRE

Alexandra RUSANEANU

2013-01-01

Nowadays, Business Intelligence solutions are the main tools for analyzing and monitoring the company’s performance at any organizational level. This paper presents a comparative analysis of the most powerful Business Intelligence solutions using a set of technical features such as infrastructure of the platform, development facilities, complex analysis tools, interactive dashboards and scorecards, mobile integration and complex implementation of performance management methodologies.

Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes

KAUST Repository

Ge, Qingchun

2016-01-29

© 2016 American Chemical Society. Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 104 to 1 × 106 μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes

KAUST Repository

Ge, Qingchun; Han, Gang; Chung, Neal Tai-Shung

2016-01-01

© 2016 American Chemical Society. Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 104 to 1 × 106 μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

In Situ Synthesis of γ-AlOOH and Synchronous Adsorption Separation of V(V) from Highly Concentrated Cr(VI) Multiplex Complex solutions

Energy Technology Data Exchange (ETDEWEB)

Zhang, Hailin [National; University of Chinese Academy of Sciences, No. 19A Yuquan Road, Shijingshan District,; Li, Ping [National; Wang, Zheming [Physcial; Zhang, Xin [Physcial; Zheng, Shili [National; Zhang, Yi [National

2017-07-13

Boehmite (γ-AlOOH) was synthesized to selectively adsorb V(V) from K₂CrO₄-KVO₃-H₂O solutions with highly concentrated Cr(VI) and low concentration V(V). The synthesized γ-AlOOH has a BET surface area of 433.2 m²/g and an average pore size of 3.5 nm. It possesses a maximum adsorption capacity of V(V) of 1.53 mmol/g from K₂CrO₄-KVO₃-H₂O solutions. The adsorption of V(V) onto γ-AlOOH follows the Langmuir isotherm model and pseudo-second-order kinetics equation by forming innersphere complexes while the Cr(VI) adsorption forms both inner-sphere and outer-sphere chromate complexes depending on solution pH. The γ-AlOOH was further synthesized in situ by adding HNO₃ into the K₂CrO₄-KAlO₂- KVO₃-H₂O solutions and then used for synchronous adsorption of V(V) and Cr(VI), resulting in increased adsorption capacity of V(V) of 2.88 mmol/g and decreased adsorption capacity of Cr(VI) to 0.073 mmol/g, respectively. In the latter process, adsorption pH values were adjustable, and adsorption reached equilibrium instantaneously, supporting a novel in situ synthesis and adsorption integration strategy with adjustable surface charge of adsorbent and disappearance of diffusion effect.

Actinide-specific complexing agents: their structural and solution chemistry

International Nuclear Information System (INIS)

Raymond, K.N.; Freeman, G.E.; Kappel, M.J.

1983-07-01

The synthesis of a series of tetracatecholate ligands designed to be specific for Pu(IV) and other actinide(IV) ions has been achieved. Although these compounds are very effective as in vivo plutonium removal agents, potentiometric and voltammetric data indicate that at neutral pH full complexation of the Pu(IV) ion by all four catecholate groups does not occur. Spectroscopic results indicate that the tetracatecholates, 3,4,3-LICAMS and 3,4,3-LICAMC, complex Am(III). The Am(IV)/(III)-catecholate couple (where catecholate = 3,4,3-LICAMS or 3,4,3-LICAMC) is not observed, but may not be observable due to the large currents associated with ligand oxidation. However, within the potential range where ligand oxidation does not occur, these experiments indicate that the reduction potential of free Am(IV)/(III) is probably greater than or equal to + 2.6 V vs NHE or higher. Proof of the complexation of americium in the trivalent oxidation state by 3,4,3-LICAMS and 3,4,3-LICAMC elimates the possibility of tetracatholates stabilizing Am(IV) in vivo

Determination of multiple solutions of load flow equations

Indian Academy of Sciences (India)

This paper is concerned with the problem of finding all the real solutions (all components of the solution vector must be real values) of load flow equations. Solutions in which some of the components are complex values are of no interest as they have no physical significance as a load flow solution. This problem issignificant ...

Separation of the noble metals ruthenium and palladium from nitric acid solution of the nuclear fuel reprocessing containing complexing agents

International Nuclear Information System (INIS)

Ghafourian, H.

1989-06-01

Two extraction chromatographic techniques have been developed. N'N diethylthiourea (DETU), which forms complexes with ruthenium that can be retained on an AG50W-X2 ion exchanger, has proved to be a suitable reagent. The structures of these complexes were elucidated by electrophoresis, ion exchange and IR spectroscopy. Under the same conditions Pd forms an insoluble DETU-complex of the formula [Pd(DETU) 4 ] 2+ , which allows the separation of this metal quantitatively. With regard to the application of the developed technique for recovery of the mentioned noble metals from dissolver residues of the nuclear fuel reprocessing, comparative studies were carried out for accompanying fission product nuclides and actinides such as Mo, Tc, Zr, Ce, U and Pu. It was found out that no complex between diethylthiourea and the fission products zirconium, molybdenum and cerium and the actinides uranium, plutonium and americium were formed. Technetium, which was originally present as pertechnetate, is reduced to Tc(IV) and retained on the cation exchanger together with ruthenium. Ruthenium was eluted with 6 M HNO 3 . The efficiency of the developed process has been demonstrated with simulated solutions. The achieved decontamination factors ranged from 10 2 to 10 6 depending on the nuclide. (orig./RB) [de

Near-Infrared Fluorescence Detection of Acetylcholine in Aqueous Solution Using a Complex of Rhodamine 800 and p-Sulfonato-calix[8]arene

Science.gov (United States)

Jin, Takashi

2010-01-01

The complexing properties of p-sulfonatocalix[n]arenes (n = 4: S[4], n = 6: S[6], and n = 8: S[8]) for rhodamine 800 (Rh800) and indocyanine green (ICG) were examined to develop a near-infrared (NIR) fluorescence detection method for acetylcholine (ACh). We found that Rh800 (as a cation) forms an inclusion complex with S[n], while ICG (as a twitter ion) have no binding ability for S[n]. The binding ability of Rh800 to S[n] decreased in the order of S[8] > S[6] >> S[4]. By the formation of the complex between Rh800 and S[8], fluorescence intensity of the Rh800 was significantly decreased. From the fluorescence titration of Rh800 by S[8], stoichiometry of the Rh800-S[8] complex was determined to be 1:1 with a dissociation constant of 2.2 μM in PBS. The addition of ACh to the aqueous solution of the Rh800-S[8] complex caused a fluorescence increase of Rh800, resulting from a competitive replacement of Rh800 by ACh in the complex. From the fluorescence change by the competitive fluorophore replacement, stoichiometry of the Rh800-ACh complex was found to be 1:1 with a dissociation constant of 1.7 mM. The effects of other neurotransmitters on the fluorescence spectra of the Rh800-S[8] complex were examined for dopamine, GABA, glycine, and l-asparatic acid. Among the neurotransmitters examined, fluorescence response of the Rh800-S[8] complex was highly specific to ACh. Rh800-S[8] complexes can be used as a NIR fluorescent probe for the detection of ACh (5 × 10−4−10−3 M) in PBS buffer (pH = 7.2). PMID:22294934

The formation of amino acid and dipeptide complexes with α-cyclodextrin and cucurbit[6]uril in aqueous solutions studied by titration calorimetry

International Nuclear Information System (INIS)

Buschmann, H.-J.; Schollmeyer, E.; Mutihac, L.

2003-01-01

The complex stabilities and the thermodynamic data for the complexation of α-cyclodextrin and cucurbit[6]uril with some amino acids (glycine, L-alanine, L-valine, L-phenylalanine, 6-amino hexanoic acid, 8-amino octanoic acid, 11-amino undecanoic acid) and dipeptides (glycyl-glycine, glycyl-L-valine, glycyl-L-leucine and glycyl-L-phenylalanine) have been determined in aqueous solution by calorimetric titrations. The complex formation with α-cyclodextrin is mainly favoured by entropic contributions due to the release of water molecules from the cavity of the ligand. The values of the reaction enthalpies are small with the exception of 11-amino undecanoic acid. In case of the ligand cucurbit[6]uril, ion-dipole interactions between the protonated amino groups of the amino acids and the carbonyl groups take place. By steric reasons these interactions are lowered for native amino acids because the polar carboxylic groups are always located outside the hydrophobic cavity of cucurbit[6]uril. The complexes of both ligands with dipeptides in water are characterised by hydrophobic interactions and in case of cucurbit[6]uril by additional ion-dipole interactions

Web-based communications systems: innovate solutions to complex development challenges

International Nuclear Information System (INIS)

Levy, D.S.; Sordi, G.M.; Villavicencio, A.L.H.; Biazini Filho, F.

2015-01-01

This research work focus on the potential value of Information and Communication Technologies (ICTs) to enhance communication and education on Radiological Protection throughout Brazil. ICTs present unprecedented opportunities to innovate solutions to complex development issues, in this large country where it is a strong challenge to ensure access to information to as many people as possible, minimizing costs and optimizing results. Therefore, taking advantage of the impact of ICTs in modern Information Society and its institutions, some research works include education for workers, researchers and the public, offering conditions for learning and improving professional and personal skills. UNIPRORAD is a research work of informatization of radiological protection programs to offer unified programs and inter-related information in Portuguese. The system provides Brazilian facilities and researchers a complete repository for research, consultation and information. The content includes the best practices for optimization and monitoring programs, taking into account that in order to establish a Radiation Protection Plan or a Radiation Emergency Plan, there must be observed all procedures based on national and international recommendations published by different organizations over the past decades: International Commission on Radiological Protection (ICRP), International Atomic Energy Agency (IAEA) and National Nuclear Energy Commission (CNEN). Other than the efforts to disseminate information to radioactive facilities and researches, it is equally essential to invest in education and communication to increase public knowledge and understanding of the benefits of Nuclear Technology, such as food irradiation and social responsibility for electric power generation, for public acceptance of Nuclear Technology depends on public understanding of radiation and its effects on individuals, workers and environment. This research work aims to present several important initiatives

Adsorption of H[Ru(III) Cl2(H2EDTA)] complex on modified silica gel surface with [3-(2-aminoethyl)aminopropyl] trimethoxysilane in ethanol solutions

International Nuclear Information System (INIS)

Lazarin, Angelica Machi; Sernaglia, Rosana Lazara

1999-01-01

Silica gel was functionalized with [3-(2-aminoethyl) aminopropyl] trimethoxysilane group (SF-AEATS) and the characterization by chemical analysis (N) and infrared spectroscopy confirmed the functionalization. The capacity of the modified silica to adsorb the complex Ru (III) EDTA from ethanolic solution was studied. The selectivity coefficients of the complex formed on the support obtained was τn), 2,07 x 10 4 L/mol and the average number of ligand bonded by one metal ion on the support (n) was ∼1. (author)

Enhancement of solubility of albendazole by complexation with β-cyclodextrin

International Nuclear Information System (INIS)

Moriwaki, C.; Costa, G.L.; Ferracini, C.N.; Matioli, G.; Moraes, F.F. de; Zanin, G.M.; Pineda, E.A.G.

2008-01-01

A high dosage of albendazole (ABZ) is required for treating systemic helminth infections because of its low solubility. Aiming at increasing ABZ solubility, complexation with beta-cyclodextrin (β-CD) using aqueous and acetic acid solutions as ABZ solubiliser was studied. In aqueous β-CD, complexation increased solubility 53.4 times, giving a complex equilibrium constant of 1266 L mol -1 with a maximum ABZ concentration of 276 μmol L -1 for 16.3 mmol L -1 β-CD. For complexation in 1.05 mol L -1 acetic acid, UV absorbance spectra and 1 H-NMR analysis confirmed complex formation. The UV absorbance of ABZ/acid acetic/β-CD solutions was modeled by the formation of two complexes with molar ratios 1:1 and 1:2 ABZ:β-CD. When neutralized with NaOH these solutions did not form precipitates only for the ABZ:β-CD molar ratios of 1:8 and 1:10, showing that ABZ solubility could be increased 306 times. Results show that high β-CD molar ratios hold ABZ in solution by complexation enhanced by the acetate anion. (author)

IMRT optimization: Variability of solutions and its radiobiological impact

International Nuclear Information System (INIS)

Mattia, Maurizio; Del Giudice, Paolo; Caccia, Barbara

2004-01-01

We aim at (1) defining and measuring a 'complexity' index for the optimization process of an intensity modulated radiation therapy treatment plan (IMRT TP), (2) devising an efficient approximate optimization strategy, and (3) evaluating the impact of the complexity of the optimization process on the radiobiological quality of the treatment. In this work, for a prostate therapy case, the IMRT TP optimization problem has been formulated in terms of dose-volume constraints. The cost function has been minimized in order to achieve the optimal solution, by means of an iterative procedure, which is repeated for many initial modulation profiles, and for each of them the final optimal solution is recorded. To explore the complexity of the space of such solutions we have chosen to minimize the cost function with an algorithm that is unable to avoid local minima. The size of the (sub)optimal solutions distribution is taken as an indicator of the complexity of the optimization problem. The impact of the estimated complexity on the probability of success of the therapy is evaluated using radiobiological indicators (Poissonian TCP model [S. Webb and A. E. Nahum, Phys. Med. Biol. 38(6), 653-666 (1993)] and NTCP relative seriality model [Kallman et al., Int. J. Radiat. Biol. 62(2), 249-262 (1992)]). We find in the examined prostate case a nontrivial distribution of local minima, which has symmetry properties allowing a good estimate of near-optimal solutions with a moderate computational load. We finally demonstrate that reducing the a priori uncertainty in the optimal solution results in a significant improvement of the probability of success of the TP, based on TCP and NTCP estimates

Satisfying positivity requirement in the Beyond Complex Langevin approach

Directory of Open Access Journals (Sweden)

Wyrzykowski Adam

2018-01-01

Full Text Available The problem of finding a positive distribution, which corresponds to a given complex density, is studied. By the requirement that the moments of the positive distribution and of the complex density are equal, one can reduce the problem to solving the matching conditions. These conditions are a set of quadratic equations, thus Groebner basis method was used to find its solutions when it is restricted to a few lowest-order moments. For a Gaussian complex density, these approximate solutions are compared with the exact solution, that is known in this special case.

Satisfying positivity requirement in the Beyond Complex Langevin approach

Science.gov (United States)

Wyrzykowski, Adam; Ruba, Błażej Ruba

2018-03-01

The problem of finding a positive distribution, which corresponds to a given complex density, is studied. By the requirement that the moments of the positive distribution and of the complex density are equal, one can reduce the problem to solving the matching conditions. These conditions are a set of quadratic equations, thus Groebner basis method was used to find its solutions when it is restricted to a few lowest-order moments. For a Gaussian complex density, these approximate solutions are compared with the exact solution, that is known in this special case.

Particle swarm as optimization tool in complex nuclear engineering problems

International Nuclear Information System (INIS)

Medeiros, Jose Antonio Carlos Canedo

2005-06-01

Due to its low computational cost, gradient-based search techniques associated to linear programming techniques are being used as optimization tools. These techniques, however, when applied to multimodal search spaces, can lead to local optima. When finding solutions for complex multimodal domains, random search techniques are being used with great efficacy. In this work we exploit the swarm optimization algorithm search power capacity as an optimization tool for the solution of complex high dimension and multimodal search spaces of nuclear problems. Due to its easy and natural representation of high dimension domains, the particle swarm optimization was applied with success for the solution of complex nuclear problems showing its efficacy in the search of solutions in high dimension and complex multimodal spaces. In one of these applications it enabled a natural and trivial solution in a way not obtained with other methods confirming the validity of its application. (author)

A plugging solution

Energy Technology Data Exchange (ETDEWEB)

Gen, O P; Azhigaliyev, G K; Dodonova, S Ye; Dyaltlova, N M; Novokhatskaya, I D; Ryabova, L I

1984-01-01

The purpose of the invention is to increase the durability of cement stone at 150 to 200C. The patent covers a plugging solution which consists of Portlandcement, sand and water. It additionally contains metal organic complexes of nitrylotrimethylphosphonic acid and organosiliconates of alkali or alkaline earth metals with the following component relationship in percent by mass: Portland cement, 42 to 43; sand, 27 to 28; metal organic complexes of nitrylotrimethylphosphonic acid, 0.01 to 1.5; organosiliconates of alkaline or alkaline earthmetals, 0.0025 to 0.375 and water, the remainder.

Integrated planning aimed at sustainability city logistics solutions

Directory of Open Access Journals (Sweden)

Tadić Snežana R.

2015-01-01

Full Text Available The main objective of city logistics system is sustainability, or efficiency, wide acceptability, environmental protection and safety. On the other hand, the city logistics system is very complex. It is characterized by a large number of participants, with different, usually conflicting goals and complex interactions. In addition, the system of city logistics is part of a wider system of the town, the region, and there are complex interactions with the external environment. The system depends on the specific characteristics of the city, affects other forms of urban mobility and is subject to the policies of higher rank (regional, national policy. Given the exceptional complexity, sustainable city logistics solution requires an integrated approach in all phases of planning, from stages of problem identification, definition of alternative solutions and effects assessment, to implementation and by exploitation. In this way, the solution of city logistics is becoming widely accepted and not only affects the efficiency of the socio-economic system of town, already on the sustainability of the whole region.

Stability studies on 99mTechnetium(III) complexes with tridentate/monodentate thiol ligands and phosphine ('3+1+1' complexes)

International Nuclear Information System (INIS)

Seifert, Sepp; Drews, Antje; Gupta, Antje; Pietzsch, Hans-Juergen; Spies, Hartmut; Johannsen, Bernd

2000-01-01

The preparation and characterisation of 3+1+1 technetium complexes of the general formula [Tc(SES)(RS)(PMe 2 Ph)] (SES=tridentate dithiol ligand, E=S, O, NMe; RSH=monothiol ligand) at the n.c.a. level is described. The Tc(III) complexes are prepared in a one-step procedure starting from pertechnetate in yields of 85-95% of radiochemical purity. A comparison of their chromatographic data with the fully characterised 99 Tc complexes indicate the identity of the investigated compounds. Stability studies show that the 99m Tc complexes undergo some alteration in solution. They are oxidised to the 3+1 oxotechnetium (V) complexes and/or decompose in aqueous solution. In challenge experiments performed with glutathione, exchange of the monothiolato ligand occurs in the same manner as known for the 3+1 complexes

Vortex solutions in a Witten-type model

International Nuclear Information System (INIS)

Itaya, Satoru; Sawado, Nobuyuki; Suzuki, Michitaka

2014-01-01

Straight line vortex solutions in a Witten's superconducting string model are studied. The model has many parameters and this is the main reason of the complexity. We argue the precise conditions of the parameters for finding the solutions of the model. We obtain the rotationally symmetric solutions for the winding numbers m = 1 - 4 with/without the gauge field. For the higher winding numbers, an energy minimization algorithm is used to investigate non-rotational solutions

Multisensor system for determination of iron(II), iron(III) and uranium(VI) in complex solutions

International Nuclear Information System (INIS)

Legin, A.V.; Seleznev, B.L.; Rudnitskaya, A.M.; Vlasov, Yu.G.

1998-01-01

The aim of the present paper is the development and analytical evaluation of a multisensor system for determination of low content of iron(II), iron(III) and uranium(VI) in complex aqueous media. Sensor array included sensors on the basis of chalcogenide vitreous materials with redox and ionic cross-sensitivities, crystalline silver sulphide electrode, noble metal electrodes Pt, Au, Ag and redox sensor on the basis of oxide glass. Potentiometric measurements have been taken in a conventional electrochemical cell vs. a standard Ag/AgCl reference electrode. All measurements have been taken at room temperature. Calibration solutions contained UO 2 (NO 3 ) 2 in concentration range 10 -6 -1,610 -5 mol/L, K 3 Fe(CN) 6 and K 4 Fe(CN) 6 or FeSO 4 (NH 4 ) 2 SO 4 and FeCl 3 , with the ratio of Fe(II)/Fe(III) concentration from 100:1 to 1:100, the total concentration of Fe was 10 -4 and 10 -5 mol/L. All solutions have been made on the background electrolyte of calcium and magnesium chlorides and sulphates with the fixed content of 5-27 mmol/L of each component which is a typical one for groundwater or mining water. Sensor potentials have been processed by a back-propagation artificial neural net. Average error of determination of Fe(II) and Fe(III) is about 20 %, of uranium(VI) - 40 %. It was found that sensitivity of the sensor array to iron and uranium is irrespective of the chemical form of these species

Synthesis and reactivity of TADDOL-based chiral Fe(II) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.

Science.gov (United States)

Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl

2015-08-07

Treatment of anhydrous FeX2 (X = Cl, Br) with 1 equiv. of the asymmetric chiral PNP pincer ligands PNP-R,TAD (R = iPr, tBu) with an R,R-TADDOL (TAD) moiety afforded complexes of the general formula [Fe(PNP)X2]. In the solid state these complexes adopt a tetrahedral geometry with the PNP ligand coordinated in κ(2)P,N-fashion, as shown by X-ray crystallography and Mössbauer spectroscopy. Magnetization studies led to a magnetic moment very close to 4.9μB reflecting the expected four unpaired d-electrons (quintet ground state). In solution there are equilibria between [Fe(κ(3)P,N,P-PNP-R,TAD)X2] and [Fe(κ(2)P,N-PNP-R,TAD)X2] complexes, i.e., the PNP-R,TAD ligand is hemilabile. At -50 °C these equilibria are slow and signals of the non-coordinated P-TAD arm of the κ(2)P,N-PNP-R,TAD ligand can be detected by (31)P{(1)H} NMR spectroscopy. Addition of BH3 to a solution of [Fe(PNP-iPr,TAD)Cl2] leads to selective boronation of the pendant P-TAD arm shifting the equilibrium towards the four-coordinate complex [Fe(κ(2)P,N-PNP-iPr,TAD(BH3))Cl2]. DFT calculations corroborate the existence of equilibria between four- and five-coordinated complexes. Addition of CO to [Fe(PNP-iPr,TAD)X2] in solution yields the diamagnetic octahedral complexes trans-[Fe(κ(3)P,N,P-PNP-iPr,TAD)(CO)X2], which react further with Ag(+) salts in the presence of CO to give the cationic complexes trans-[Fe(κ(3)P,N,P-PNP-iPr,TAD)(CO)2X](+). CO addition most likely takes place at the five coordinate complex [Fe(κ(3)P,N,P-PNP-iPr,TAD)X2]. The mechanism for the CO addition was also investigated by DFT and the most favorable path obtained corresponds to the rearrangement of the pincer ligand first from a κ(2)P,N- to a κ(3)P,N,P-coordination mode followed by CO coordination to [Fe(κ(3)P,N,P-PNP-iPr,TAD)X2]. Complexes bearing tBu substituents do not react with CO. Moreover, in the solid state none of the tetrahedral complexes are able to bind CO.

Complex saddle points and the sign problem in complex Langevin simulation

International Nuclear Information System (INIS)

Hayata, Tomoya; Hidaka, Yoshimasa; Tanizaki, Yuya

2016-01-01

We show that complex Langevin simulation converges to a wrong result within the semiclassical analysis, by relating it to the Lefschetz-thimble path integral, when the path-integral weight has different phases among dominant complex saddle points. Equilibrium solution of the complex Langevin equation forms local distributions around complex saddle points. Its ensemble average approximately becomes a direct sum of the average in each local distribution, where relative phases among them are dropped. We propose that by taking these phases into account through reweighting, we can solve the wrong convergence problem. However, this prescription may lead to a recurrence of the sign problem in the complex Langevin method for quantum many-body systems.

Evaluation of the stability of uranyl peroxo-carbonato complex ions in carbonate media at different temperatures

International Nuclear Information System (INIS)

Kim, Kwang-Wook; Lee, Keun-Young; Chung, Dong-Yong; Lee, Eil-Hee; Moon, Jei-Kwon; Shin, Dong-Woo

2012-01-01

Highlights: ► The stability of peroxide in uranyl peroxo carbonato complex solutions with different temperatures was characterized. ► The decomposition rate of uranyl peroxo carbonato complex ion to uranyl tris-carbonato complex ion was observed to increase with temperature ► The decomposition kinetics of uranyl peroxo carbonato complex ions was evaluated by absorption and Raman spectroscopies. ► A precipitate of uranyl peroxo carbonato complex solution was evaluated with XRD. - Abstract: This work studied the stability of peroxide in uranyl peroxo carbonato complex ions in a carbonate solution with hydrogen peroxide using absorption and Raman spectroscopies, and evaluated the temperature dependence of the decomposition characteristics of uranyl peroxo carbonato complex ions in the solution. The uranyl peroxo carbonato complex ions self-decomposed more rapidly into uranyl tris-carbonato complex ions in higher temperature carbonate solutions. The concentration of peroxide in the solution without free hydrogen peroxide represents the concentration of uranyl peroxo carbonato complex ions in a mixture of uranyl peroxo carbonato complex and uranyl tris-carbonato complex ions. The self-decomposition of the uranyl peroxo carbonato complex ions was a first order reaction, and its activation energy was evaluated to be 7.144 × 10 3 J mol −1 . The precipitation of sodium uranium oxide hydroxide occurred when the amount of uranyl tris-carbonato complex ions generated from the decomposition of the uranyl peroxo carbonato complex ions exceeded the solubility of uranyl tris-carbonato ions in the solution at the solution temperature.

Superstrings fermionic solutions

International Nuclear Information System (INIS)

Rausch de Traubenberg, M.

1990-06-01

The solutions proposed by the superstring theory are classified and compared. In order to obtain some of the equivalences, the demonstration is based on the coincidence of the excitation spectrum and the quantum numbers from different states. The fermionic representation of the heterotical strings is discussed. The conformal invariance and the supersymmetric results extended to two dimensions are investigated. Concerning the fermionic strings, the formalism and a phenomenological solution involving three families of quarks, chiral leptons and leptons from the E 6 gauge group are presented. The equivalence between real and complex fermions is discussed. The similarity between some of the solutions of the Wess-Zumino-Witten model and the orbifolds is considered. The formal calculation program developed for reproducing the theory's low energy spectra, in the fermionic string formalism is given [fr

Solution of generalized shifted linear systems with complex symmetric matrices

International Nuclear Information System (INIS)

Sogabe, Tomohiro; Hoshi, Takeo; Zhang, Shao-Liang; Fujiwara, Takeo

2012-01-01

We develop the shifted COCG method [R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, T. Fujiwara, Linear algebraic calculation of Green’s function for large-scale electronic structure theory, Phys. Rev. B 73 (165108) (2006) 1–9] and the shifted WQMR method [T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara, On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems, Electron. Trans. Numer. Anal. 31 (2008) 126–140] for solving generalized shifted linear systems with complex symmetric matrices that arise from the electronic structure theory. The complex symmetric Lanczos process with a suitable bilinear form plays an important role in the development of the methods. The numerical examples indicate that the methods are highly attractive when the inner linear systems can efficiently be solved.

Nuclear weapons complex

International Nuclear Information System (INIS)

Rezendes, V.S.

1991-03-01

In this book, GAO characterizes DOE's January 1991 Nuclear Weapons Complex Reconfiguration Study as a starting point for reaching agreement on solutions to many of the complex's safety and environmental problems. Key decisions still need to be made about the size of the complex, where to relocate plutonium operations, what technologies to use for new tritium production, and what to do with excess plutonium. The total cost for reconfiguring and modernizing the complex is still uncertain, and some management issues remain unresolved. Congress faces a difficult task in making test decisions given the conflicting demands for scarce resources in a time of growing budget deficits and war in the Persian Gulf

Enhancement of solubility of albendazole by complexation with {beta}-cyclodextrin

Energy Technology Data Exchange (ETDEWEB)

Moriwaki, C.; Costa, G.L.; Ferracini, C.N.; Matioli, G. [Universidade Estadual de Maringa (UEM), PR (Brazil). Dept. de Farmacia e Farmacologia]. E-mail: gmatioli@uem.br; Moraes, F.F. de; Zanin, G.M. [Universidade Estadual de Maringa (UEM), PR (Brazil). Dept. de Engenharia Quimica; Pineda, E.A.G. [Universidade Estadual de Maringa (UEM), PR (Brazil). Dept. de Quimica

2008-04-15

A high dosage of albendazole (ABZ) is required for treating systemic helminth infections because of its low solubility. Aiming at increasing ABZ solubility, complexation with beta-cyclodextrin ({beta}-CD) using aqueous and acetic acid solutions as ABZ solubiliser was studied. In aqueous {beta}-CD, complexation increased solubility 53.4 times, giving a complex equilibrium constant of 1266 L mol{sup -1} with a maximum ABZ concentration of 276 {mu}mol L{sup -1} for 16.3 mmol L{sup -1} {beta}-CD. For complexation in 1.05 mol L{sup -1} acetic acid, UV absorbance spectra and {sup 1}H-NMR analysis confirmed complex formation. The UV absorbance of ABZ/acid acetic/{beta}-CD solutions was modeled by the formation of two complexes with molar ratios 1:1 and 1:2 ABZ:{beta}-CD. When neutralized with NaOH these solutions did not form precipitates only for the ABZ:{beta}-CD molar ratios of 1:8 and 1:10, showing that ABZ solubility could be increased 306 times. Results show that high {beta}-CD molar ratios hold ABZ in solution by complexation enhanced by the acetate anion. (author)

Investigation into organic boron compounds complexing. 25. Triaryl borane complexes with benzimidazole

Energy Technology Data Exchange (ETDEWEB)

Belonovich, M I; Lapkin, I I; Morozova, T L; Okatysheva, L Yu; Rybakova, M N; Yuzhakova, G A [Permskij Gosudarstvennyj Univ. (USSR)

1984-02-01

Coordination of organic boron compounds with heterocyclic ligands is studied. Substances containing one molecule of ligand per one molecule of triarylborane are extracted when mixing ether solution of triarylborane and alcohol solution of benzimidazole. Based on IR spectra it is stated that coordination with boron is realized at the expense of pyridine nitrogen atom of imidazole cycle. Dipole momenta are determined for synthesized complexes using Debye method.

Approximated solutions to Born-Infeld dynamics

International Nuclear Information System (INIS)

Ferraro, Rafael; Nigro, Mauro

2016-01-01

The Born-Infeld equation in the plane is usefully captured in complex language. The general exact solution can be written as a combination of holomorphic and anti-holomorphic functions. However, this solution only expresses the potential in an implicit way. We rework the formulation to obtain the complex potential in an explicit way, by means of a perturbative procedure. We take care of the secular behavior common to this kind of approach, by resorting to a symmetry the equation has at the considered order of approximation. We apply the method to build approximated solutions to Born-Infeld electrodynamics. We solve for BI electromagnetic waves traveling in opposite directions. We study the propagation at interfaces, with the aim of searching for effects susceptible to experimental detection. In particular, we show that a reflected wave is produced when a wave is incident on a semi-space containing a magnetostatic field.

Approximated solutions to Born-Infeld dynamics

Energy Technology Data Exchange (ETDEWEB)

Ferraro, Rafael [Instituto de Astronomía y Física del Espacio (IAFE, CONICET-UBA),Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires,Ciudad Universitaria, Pabellón I, 1428 Buenos Aires (Argentina); Nigro, Mauro [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires,Ciudad Universitaria, Pabellón I, 1428 Buenos Aires (Argentina)

2016-02-01

The Born-Infeld equation in the plane is usefully captured in complex language. The general exact solution can be written as a combination of holomorphic and anti-holomorphic functions. However, this solution only expresses the potential in an implicit way. We rework the formulation to obtain the complex potential in an explicit way, by means of a perturbative procedure. We take care of the secular behavior common to this kind of approach, by resorting to a symmetry the equation has at the considered order of approximation. We apply the method to build approximated solutions to Born-Infeld electrodynamics. We solve for BI electromagnetic waves traveling in opposite directions. We study the propagation at interfaces, with the aim of searching for effects susceptible to experimental detection. In particular, we show that a reflected wave is produced when a wave is incident on a semi-space containing a magnetostatic field.

Surface Complexation of Neptunium(V) with Goethite

International Nuclear Information System (INIS)

Jerden, James L.; Kropf, A. Jeremy

2007-01-01

Batch adsorption experiments in which neptunium-bearing solutions were reacted with goethite (alpha-FeOOH) have been performed to study uptake mechanisms in sodium chloride and calcium-bearing sodium silicate solutions. This paper presents results identifying and quantifying the mechanisms by which neptunium is adsorbed as a function of pH and reaction time (aging). Also presented are results from tests in which neptunium is reacted with goethite in the presence of other cations (uranyl and calcium) that may compete with neptunium for sorption sites. The desorption of neptunium from goethite has been studied by re-suspending the neptunium-loaded goethite samples in solutions containing no neptunium. Selected reacted sorbent samples were analyzed by x-ray absorption spectroscopy (XAS) to determine the oxidation state and molecular speciation of the adsorbed neptunium. Results have been used to establish the pH adsorption edge of neptunium on goethite in sodium chloride and calcium-bearing sodium silicate solutions. The results indicate that neptunium uptake on goethite reaches 95% at a pH of approximately 7 and begins to decrease at pH values greater than 8.5. Distribution coefficients for neptunium sorption range from less than 1000 (moles/kg) sorbed / (moles/kg) solution at pH less than 5.0 to greater than 10,000 (moles/kg) sorbed / (moles/kg) solution at pH greater than 7.0. Distribution coefficients as high as 100,000 (moles/kg) sorbed / (moles/kg) solution were recorded for the tests done in calcite equilibrated sodium silicate solutions. XAS results show that neptunium complexes with the goethite surface mainly as Np(V) (although Np(IV) is prevalent in some of the longer-duration sorption tests). The neptunium adsorbed to goethite shows Np-O bond length of approximately 1.8 angstroms which is representative of the Np-O axial bond in the neptunyl(V) complex. This neptunyl(V) ion is coordinated to 5 or 6 equatorial oxygens with Np-O bond lengths of 2

Solution chemistry and separation of metal ions in leached solution

International Nuclear Information System (INIS)

Shibata, J.

1991-01-01

The method to presume a dissolved state of metal ions in an aqueous solution and the technology to separate and concentrate metal ions in a leached solution are described in this paper. It is very important for the separation of metal ions to know the dissolved state of metal ions. If we know the composition of an aqueous solution and the stability constants of metal-ligand complexes, we can calculate and estimate the concentration of each species in the solution. Then, we can decide the policy to separate and concentrate metal ions. There are several methods for separation and purification; hydroxide precipitation method, sulfide precipitation method, solvent extraction method and ion exchange resin method. Solvent extraction has been used in purification processes of copper refinery, uranium refinery, platinum metal refinery and rare earth metal refinery. Fundamental process of solvent extraction, a kind of commercial extractants, a way of determining a suitable extractant and an equipment are discussed. Finally, it will be emphasized how the separation of rare earths is improved in solvent extraction. (author) 21 figs., 8 tabs., 8 refs

Conformations and solution properties of star-branched polyelectrolytes

NARCIS (Netherlands)

Borisov, O.V.; Zhulina, E.B.; Leermakers, F.A.M.; Ballauff, M.; Muller, A.H.E.

2011-01-01

Aqueous solutions of star-like polyelectrolytes (PEs) exhibit distinctive features that originate from the topological complexity of branched macromolecules. In a salt-free solution of branched PEs, mobile counterions preferentially localize in the intramolecular volume of branched macroions.

Evaluation of the stability of uranyl peroxo-carbonato complex ions in carbonate media at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Kim, Kwang-Wook, E-mail: nkwkim@kaeri.re.kr [Korea Atomic Energy Research Institute, 1045 Daedeok daero, Yuseong, Daejeon 305-353 (Korea, Republic of); Lee, Keun-Young; Chung, Dong-Yong; Lee, Eil-Hee; Moon, Jei-Kwon [Korea Atomic Energy Research Institute, 1045 Daedeok daero, Yuseong, Daejeon 305-353 (Korea, Republic of); Shin, Dong-Woo [Gyeongsang National University, 900 Gajwa, Jinju 660-701 (Korea, Republic of)

2012-09-30

Highlights: Black-Right-Pointing-Pointer The stability of peroxide in uranyl peroxo carbonato complex solutions with different temperatures was characterized. Black-Right-Pointing-Pointer The decomposition rate of uranyl peroxo carbonato complex ion to uranyl tris-carbonato complex ion was observed to increase with temperature Black-Right-Pointing-Pointer The decomposition kinetics of uranyl peroxo carbonato complex ions was evaluated by absorption and Raman spectroscopies. Black-Right-Pointing-Pointer A precipitate of uranyl peroxo carbonato complex solution was evaluated with XRD. - Abstract: This work studied the stability of peroxide in uranyl peroxo carbonato complex ions in a carbonate solution with hydrogen peroxide using absorption and Raman spectroscopies, and evaluated the temperature dependence of the decomposition characteristics of uranyl peroxo carbonato complex ions in the solution. The uranyl peroxo carbonato complex ions self-decomposed more rapidly into uranyl tris-carbonato complex ions in higher temperature carbonate solutions. The concentration of peroxide in the solution without free hydrogen peroxide represents the concentration of uranyl peroxo carbonato complex ions in a mixture of uranyl peroxo carbonato complex and uranyl tris-carbonato complex ions. The self-decomposition of the uranyl peroxo carbonato complex ions was a first order reaction, and its activation energy was evaluated to be 7.144 Multiplication-Sign 10{sup 3} J mol{sup -1}. The precipitation of sodium uranium oxide hydroxide occurred when the amount of uranyl tris-carbonato complex ions generated from the decomposition of the uranyl peroxo carbonato complex ions exceeded the solubility of uranyl tris-carbonato ions in the solution at the solution temperature.

Solving Complex Problems to Create Charter Extension Options

DEFF Research Database (Denmark)

Tippmann, Esther; Nell, Phillip Christopher

undertaken by 29 subsidiary units supports our hypotheses, demonstrating that these activities are a means to systematically reduce inherent problem solving biases. This study contributes to problem solving theory, the literature on headquarters’ roles in complex organizations, as well as the literature......This study examines subsidiary-driven problem solving processes and their potential to create advanced solutions for charter extension options. Problem solving theory suggests that biases in problem formulation and solution search can confine problem solving potential. We thus argue that balanced...... solution search, or activities to reconcile the need for some solution features to be locally-tailored while others can be internationally standardized, mediates the relationships between problem complexity/headquarters involvement and the capacity to create advanced solutions. An analysis of 67 projects...

Analytical Solution of Multicompartment Solute Kinetics for Hemodialysis

Directory of Open Access Journals (Sweden)

Przemysław Korohoda

2013-01-01

Full Text Available Objective. To provide an exact solution for variable-volume multicompartment kinetic models with linear volume change, and to apply this solution to a 4-compartment diffusion-adjusted regional blood flow model for both urea and creatinine kinetics in hemodialysis. Methods. A matrix-based approach applicable to linear models encompassing any number of compartments is presented. The procedure requires the inversion of a square matrix and the computation of its eigenvalues λ, assuming they are all distinct. This novel approach bypasses the evaluation of the definite integral to solve the inhomogeneous ordinary differential equation. Results. For urea two out of four eigenvalues describing the changes of concentrations in time are about 105 times larger than the other eigenvalues indicating that the 4-compartment model essentially reduces to the 2-compartment regional blood flow model. In case of creatinine, however, the distribution of eigenvalues is more balanced (a factor of 102 between the largest and the smallest eigenvalue indicating that all four compartments contribute to creatinine kinetics in hemodialysis. Interpretation. Apart from providing an exact analytic solution for practical applications such as the identification of relevant model and treatment parameters, the matrix-based approach reveals characteristic details on model symmetry and complexity for different solutes.

The supply solutions for isolated rural consumers

International Nuclear Information System (INIS)

Hazi, Gheorghe; Solomon, Petre; Hazi, Aneta

2004-01-01

This paper establishes the supply optimal solutions for isolated rural consumers. A complex technical-economical calculation method is developed for selection of the best solutions. This analysis is based on the minimization of the net present value, NPV, criterion. Using the results of this calculation, one can select easily the supply solution for a given active power and for a given distance separating the power source and the isolated consumer. (authors)

Chansporter complexes in cell signaling.

Science.gov (United States)

Abbott, Geoffrey W

2017-09-01

Ion channels facilitate diffusion of ions across cell membranes for such diverse purposes as neuronal signaling, muscular contraction, and fluid homeostasis. Solute transporters often utilize ionic gradients to move aqueous solutes up their concentration gradient, also fulfilling a wide variety of tasks. Recently, an increasing number of ion channel-transporter ('chansporter') complexes have been discovered. Chansporter complex formation may overcome what could otherwise be considerable spatial barriers to rapid signal integration and feedback between channels and transporters, the ions and other substrates they transport, and environmental factors to which they must respond. Here, current knowledge in this field is summarized, covering both heterologous expression structure/function findings and potential mechanisms by which chansporter complexes fulfill contrasting roles in cell signaling in vivo. © 2017 Federation of European Biochemical Societies.

Butterfly Deformation Modes in a Photoexcited Pyrazolate-Bridged Pt Complex Measured by Time-Resolved X-Ray Scattering in Solution

DEFF Research Database (Denmark)

Haldrup, Kristoffer; Dohn, Asmus Ougaard; Shelby, Megan L.

2016-01-01

the monochromatic X-ray pulses at Beamline 11IDD of the Advanced Photon Source. The excited-state structural analysis of 1 was performed based on the results from both transient WAXS measurements and density functional theory calculations to shed light on the primary structural changes in its triplet metal-metal...... excited state has remained scarce. Using time-resolved wide-angle X-ray scattering (WAXS), the excited triplet state molecular structure of [Pt(ppy)(μ-t-Bu2pz)]2 (ppy = 2-phenylpyridine; t-Bu2pz = 3,5-di-tert-butylpyrazolate), complex 1, was obtained in a dilute (0.5 mM) toluene solution utilizing...

Flash and Continuous Photolysis Studies of the Thionitrosyl Complex Cr(CH3CN)5(NS)2+ and the Nitric Oxide Analogs. Reactions of Nitrogen Monosulfide in Solution

DEFF Research Database (Denmark)

Dethlefsen, Johannes Wied; Hedegård, Erik; Rimmer, R. Dale

2009-01-01

Photolysis of the thionitrosyl complex Cr(CH3CN)5(NS)2+ (1) in acetonitrile solution leads to the dissociation of nitrogen monosulfide (NS).  In deaerated solution, this reaction is reversible, and flash photolysis studies demonstrate that NS reacts with Cr(CH3CN)62+ according to the rate law d[1...... dependent quantum yields of 0.3-1.0 mol/Einstein. Mass spectroscopic studies of the product solutions demonstrate formation of S8, presumably from the decomposition of NS. The quantitative photochemical behaviors of 1 and the nitrosyl analog 2 are compared. Udgivelsesdato: Jan....

The Paperless Solution

Science.gov (United States)

2001-01-01

REI Systems, Inc. developed a software solution that uses the Internet to eliminate the paperwork typically required to document and manage complex business processes. The data management solution, called Electronic Handbooks (EHBs), is presently used for the entire SBIR program processes at NASA. The EHB-based system is ideal for programs and projects whose users are geographically distributed and are involved in complex management processes and procedures. EHBs provide flexible access control and increased communications while maintaining security for systems of all sizes. Through Internet Protocol- based access, user authentication and user-based access restrictions, role-based access control, and encryption/decryption, EHBs provide the level of security required for confidential data transfer. EHBs contain electronic forms and menus, which can be used in real time to execute the described processes. EHBs use standard word processors that generate ASCII HTML code to set up electronic forms that are viewed within a web browser. EHBs require no end-user software distribution, significantly reducing operating costs. Each interactive handbook simulates a hard-copy version containing chapters with descriptions of participants' roles in the online process.

Evaluation of the stability of uranyl peroxo-carbonato complex ions in carbonate media at different temperatures.

Science.gov (United States)

Kim, Kwang-Wook; Lee, Keun-Young; Chung, Dong-Yong; Lee, Eil-Hee; Moon, Jei-Kwon; Shin, Dong-Woo

2012-09-30

This work studied the stability of peroxide in uranyl peroxo carbonato complex ions in a carbonate solution with hydrogen peroxide using absorption and Raman spectroscopies, and evaluated the temperature dependence of the decomposition characteristics of uranyl peroxo carbonato complex ions in the solution. The uranyl peroxo carbonato complex ions self-decomposed more rapidly into uranyl tris-carbonato complex ions in higher temperature carbonate solutions. The concentration of peroxide in the solution without free hydrogen peroxide represents the concentration of uranyl peroxo carbonato complex ions in a mixture of uranyl peroxo carbonato complex and uranyl tris-carbonato complex ions. The self-decomposition of the uranyl peroxo carbonato complex ions was a first order reaction, and its activation energy was evaluated to be 7.144×10(3) J mol(-1). The precipitation of sodium uranium oxide hydroxide occurred when the amount of uranyl tris-carbonato complex ions generated from the decomposition of the uranyl peroxo carbonato complex ions exceeded the solubility of uranyl tris-carbonato ions in the solution at the solution temperature. Copyright © 2012 Elsevier B.V. All rights reserved.

The complexes of Ho with methylenediphosphonate and 1 hydroxyethylidenephosphonate

International Nuclear Information System (INIS)

Vanura, P.; Jedinakova-Krizova, V.; Hakenova, L.; Munesawa, Y.

1999-01-01

The composition and stability of holmium methylenediphosphonate (MDP) and 1-hydroxyethylidenephosphonate (HEDP) complexes in the aqueous solution of 0.1 M NaCl at the temperature of 25 grad C were studied by potentiometric titration methods. The complexes of the composition HoH n L have been found in the aqueous solution if the concentration of the ligand is higher than the concentration of holmium. The protonation constants of both acids and stability constants of all complexes were determined and the comparison with literature data of analogical complexes of other lanthanides was performed. (authors)

Ruthenium nitrosyl complexes in radioactive waste solutions in reprocessing plants. Pt. 3

International Nuclear Information System (INIS)

Blasius, E.; Mueller, K.

1984-01-01

With capillary isotachophoresis and free-flow isotachophoresis it is possible to separate and isolate preparatively the mononuclear cationic ruthenium nitrosyl nitrato complexes. The behaviour of these complexes during storage, concentration and calcination is studied: The conversion of six ruthenium nitrosyl nitrato complexes as a function of time is studied at -36 0 C, 0 0 C, +3 0 C and 100 0 C. The percentage of ruthenium nitrosyl complexes with NO 3 - as ligand increased markedly during concentration experiments. Above 250 0 C NOsub(x) is liberated and the colour of the residue changes from brown to brownish-grey. At 400 0 C ruthenium complexes are no longer detected and the inner walls of the apparatus are covered with RuO 2 . (orig.)

Quantum chemical calculations and spectroscopic measurements of spectroscopic and thermodynamic properties of given uranyl complexes in aqueous solutions with possible environmental and industrial applications

Directory of Open Access Journals (Sweden)

Višňak Jakub

2016-01-01

Full Text Available A brief introduction into computational methodology and preliminary results for spectroscopic (excitation energies, vibrational frequencies in ground and excited electronic states and thermodynamic (stability constants, standard enthalpies and entropies of complexation reactions properties of some 1:1, 1:2 and 1:3 uranyl sulphato- and selenato- complexes in aqueos solutions will be given. The relativistic effects are included via Effective Core Potential (ECP, electron correlation via (TDDFT/B3LYP (dispersion interaction corrected and solvation is described via explicit inclusion of one hydration sphere beyond the coordinated water molecules. We acknowledge limits of this approximate description – more accurate calculations (ranging from semi-phenomenological two-component spin-orbit coupling up to four-component Dirac-Coulomb-Breit hamiltonian and Molecular Dynamics simulations are in preparation. The computational results are compared with the experimental results from Time-resolved Laser-induced Fluorescence Spectroscopy (TRLFS and UV-VIS spectroscopic studies (including our original experimental research on this topic. In case of the TRLFS and UV-VIS speciation studies, the problem of complex solution spectra decomposition into individual components is ill-conditioned and hints from theoretical chemistry could be very important. Qualitative agreement between our quantum chemical calculations of the spectroscopic properties and experimental data was achieved. Possible applications for geochemical modelling (e.g. safety studies of nuclear waste repositories, modelling of a future mining site and analytical chemical studies (including natural samples are discussed.

Observation of Radiolytic Field Alteration of the Uranyl Cation in Bicarbonate Solution

Energy Technology Data Exchange (ETDEWEB)

Snow, Lanee A.; McNamara, Bruce K.; Sinkov, Sergey I.; Cho, Herman M.; Friese, Judah I.

2006-12-01

In previous work we demonstrated that radiolysis of uranyl tris carbonate in near neutral pH to alkaline carbonate solutions, could be followed by 13C NMR. Radiolysis of the complex produced novel uranyl peroxo carbonate solution state species, whose structures depended on the pH and radiolytic dose rate. In this work, we investigate speciation of the uranyl carbonate trimer which is predominant in bicarbonate solution near pH 5.9. We observe radiolytically derived speciation to different mixed peroxy carbonate species than seen in the higher pH solutions. Auto radiolysis of uranium (VI) carbonate solutions between pH 5.9 and 7.2 is shown to alter the uranium speciation over relatively short periods of time and was followed by 13C NMR and visible spectrophotometry, using dissolved 233(UO2)3(CO3)6 6- both as the radiolysis source (D= 14.9 Gy/hr) and as a trap for the newly formed hydrogen peroxide. Direct addition of hydrogen peroxide to solutions of the uranyl-carbonate trimer is shown to reproduce the 13 C NMR signatures of the complexe(s) formed by radiolysis, but additionally a variety of new complexes are revealed. Ratios of H2O2/trimer < 1.5 produced a uranyl peroxo carbonate adduct, that is shown to be common to the radiolytically produced species. Ratios of H2O2/ trimer >1 resulted in formation of stable higher order peroxo carbonate complexes. The 13C NMR signatures and visible spectra of these complexes are described here. Rigorous characterization of the species is an ongoing effort.

Thermal analysis of cryoprotective solutions for red blood cells.

Science.gov (United States)

Iijima, T

1998-05-01

A differential scanning calorimeter was used to study the thermal behavior of glycerol-water solutions (binary system) and the more complex glycerol-based cryoprotective solutions that are used clinically in order to examine the cryoprotective role of glycerol in preserving frozen red blood cells. The melting and glass transition temperatures for the clinically used cryoprotective solutions were as expected, based on the nonequilibriumphase diagram for cryoprotective solutions incorporating isotonic phosphate-buffered saline. Two zones were identified in which solidification occurred without the formation of ice crystals: a glassy state that is crystallographically amorphous was found for glycerol concentrations between 40 and 55% in the binary system and between 45 and 60% in the complex system; a glassy state in the complete absence of ice was found at glycerol concentrations greater than 55% for the binary system or 60% for the complex system. In clinical practice, cryoprotectants are used at initial concentrations lower than those at which these two glassy states occur but there is an increase in the effective glycerol concentration inside and outside the cells as ice forms during the freezing process.

Treatment of uranyl nitrate and flouride solutions

International Nuclear Information System (INIS)

Rodrigo Otero, A.; Rodrigo Vilaseca, F.; Morales Calvo, G.

1977-01-01

A theoretical study on the fluoride complexes contained in uranyl and aluminium solutions has been carried out. Likewise concentration limits and Duhring diagrams for those solutions have been experimentally established. As a result, the optimum operation conditions for concentration by evaporation in the treatment plant, have been deduced. (Author) 12 refs

Complexities of coalition building: leaders' successes, strategies, struggles, and solutions.

Science.gov (United States)

Mizrahi, T; Rosenthal, B B

2001-01-01

Government and private funding initiatives are promoting coalitions, collaborations, and other interorganizational approaches to address complex community, social services, and health issues. Social work organizers and administrators are increasingly leading coalitions themselves or representing their organizations in collaborative planning and problem solving, often without understanding how to manage the complexities involved in interorganizational relationships. This article reports on aspects of a larger quantitative and qualitative research project that studied coalition dynamics, operations, and outcomes. Coalition leaders interviewed defined success in multiple ways. Competent leadership was the factor most often identified with coalition success.

Semianalytical Solutions of Radioactive or Reactive Transport in Variably-Fractured Layered Media: 1. Solutes

International Nuclear Information System (INIS)

George J. Moridis

2001-01-01

In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity

Aqueous polyethylene oxide solutions

International Nuclear Information System (INIS)

Breen, J.

1987-01-01

A number of aspects concerning the reorientation of polymer, water and ion hydration complexes have been studied in aqueous solution of polyethylene oxide (PEO). The polymer dynamics are investigated by 1 H-PEO and 13 C-PEO nuclear relaxation experiments. 162 refs.; 30 figs.; 19 tabs

Facilitators & Barriers to the Adoption of Ergonomic Solutions in Construction

Science.gov (United States)

Dale, Ann Marie; Jaegers, Lisa; Welch, Laura; Barnidge, Ellen; Weaver, Nancy; Evanoff, Bradley A.

2017-01-01

Background Rates of musculoskeletal disorders in construction remain high. Few studies have described barriers and facilitators to the use of available ergonomic solutions. This paper describes these barriers and facilitators and their relationship to the level of adoption. Methods Three analysts rated 16 proposed ergonomic solutions from a participatory ergonomics study and assessed the level of adoption, six adoption characteristics, and identified the category of adoption from a theoretical model. Results Twelve solutions were always or intermittently used and were rated positively for characteristics of relative advantage, compatibility with existing work processes, and trialability. Locus of control (worker vs. contractor) was not related to adoption. Simple solutions faced fewer barriers to adoption than those rated as complex. Conclusions Specific adoption characteristics can help predict the use of new ergonomic solutions in construction. Adoption of complex solutions must involve multiple stakeholders, more time, and shifts in culture or work systems. PMID:28195660

Modeling of Flow, Transport and Controlled Sedimentation Phenomena during Mixing of Salt Solutions in Complex Porous Formations

Science.gov (United States)

Skouras, Eugene D.; Jaho, Sofia; Pavlakou, Efstathia I.; Sygouni, Varvara; Petsi, Anastasia; Paraskeva, Christakis A.

2015-04-01

The deposition of salts in porous media is a major engineering phenomenon encountered in a plethora of industrial and environmental applications where in some cases is desirable and in other not (oil production, geothermal systems, soil stabilization etc). Systematic approach of these problems requires knowledge of the key mechanisms of precipitating salts within the porous structures, in order to develop new methods to control the process. In this work, the development and the solution of spatiotemporally variable mass balances during salt solution mixing along specific pores were performed. Both analytical models and finite differences CFD models were applied for the study of flow and transport with simultaneous homogeneous and heterogeneous nucleation (by crystal growth on the surface of the pores) in simple geometries, while unstructured finite elements and meshless methods were developed and implemented for spatial discretization, reconstruction, and solution of transport equations and homogeneous / heterogeneous reactions in more complex geometries. At initial stages of this work, critical problem parameters were identified, such as the characteristics of the porosity, the number of dissolved components, etc. The parameters were then used for solving problems which correspond to available experimental data. For each combination of ions and materials, specific data and process characteristics were included: (a) crystal kinetics (nucleation, growth rates or reaction surface rates of crystals, critical suspension concentrations), (b) physico-chemical properties (bulk density, dimensions of generated crystals, ion diffusion coefficients in the solution), (c) operating parameters (macroscopic velocity, flow, or pressure gradient of the solution, ion concentration) (d) microfluidic data (geometry, flow area), (e) porosity data in Darcy description (initial porosity, specific surface area, tortuosity). During the modeling of flow and transport in three

New Exact Solutions for (1 + 1)-Dimensional Dispersion-Less System

International Nuclear Information System (INIS)

Naranmandula; Hu Jianguo; Bao Gang; Tubuxin

2008-01-01

Using improved homogeneous balance method, we obtain complex function form new exact solutions for the (1+1)-dimensional dispersion-less system, and from the exact solutions we derive real function form solution of the field u. Based on this real function form solution, we find some new interesting coherent structures by selecting arbitrary functions appropriately

Efficiency Evaluation of Food Waste Materials for the Removal of Metals and Metalloids from Complex Multi-Element Solutions

Science.gov (United States)

Giuliano, Antonella; Astolfi, Maria Luisa; Congedo, Rossana; Masotti, Andrea; Canepari, Silvia

2018-01-01

Recent studies have shown the potential of food waste materials as low cost adsorbents for the removal of heavy metals and toxic elements from wastewater. However, the adsorption experiments have been performed in heterogeneous conditions, consequently it is difficult to compare the efficiency of the individual adsorbents. In this study, the adsorption capacities of 12 food waste materials were evaluated by comparing the adsorbents’ efficiency for the removal of 23 elements from complex multi-element solutions, maintaining homogeneous experimental conditions. The examined materials resulted to be extremely efficient for the adsorption of many elements from synthetic multi-element solutions as well as from a heavy metal wastewater. The 12 adsorbent surfaces were analyzed by Fourier transform infrared spectroscopy and showed different types and amounts of functional groups, which demonstrated to act as adsorption active sites for various elements. By multivariate statistical computations of the obtained data, the 12 food waste materials were grouped in five clusters characterized by different elements’ removal efficiency which resulted to be in correlation with the specific adsorbents’ chemical structures. Banana peel, watermelon peel and grape waste resulted the least selective and the most efficient food waste materials for the removal of most of the elements. PMID:29495363

Efficiency Evaluation of Food Waste Materials for the Removal of Metals and Metalloids from Complex Multi-Element Solutions.

Science.gov (United States)

Massimi, Lorenzo; Giuliano, Antonella; Astolfi, Maria Luisa; Congedo, Rossana; Masotti, Andrea; Canepari, Silvia

2018-02-26

Recent studies have shown the potential of food waste materials as low cost adsorbents for the removal of heavy metals and toxic elements from wastewater. However, the adsorption experiments have been performed in heterogeneous conditions, consequently it is difficult to compare the efficiency of the individual adsorbents. In this study, the adsorption capacities of 12 food waste materials were evaluated by comparing the adsorbents' efficiency for the removal of 23 elements from complex multi-element solutions, maintaining homogeneous experimental conditions. The examined materials resulted to be extremely efficient for the adsorption of many elements from synthetic multi-element solutions as well as from a heavy metal wastewater. The 12 adsorbent surfaces were analyzed by Fourier transform infrared spectroscopy and showed different types and amounts of functional groups, which demonstrated to act as adsorption active sites for various elements. By multivariate statistical computations of the obtained data, the 12 food waste materials were grouped in five clusters characterized by different elements' removal efficiency which resulted to be in correlation with the specific adsorbents' chemical structures. Banana peel, watermelon peel and grape waste resulted the least selective and the most efficient food waste materials for the removal of most of the elements.

Efficiency Evaluation of Food Waste Materials for the Removal of Metals and Metalloids from Complex Multi-Element Solutions

Directory of Open Access Journals (Sweden)

Lorenzo Massimi

2018-02-01

Full Text Available Recent studies have shown the potential of food waste materials as low cost adsorbents for the removal of heavy metals and toxic elements from wastewater. However, the adsorption experiments have been performed in heterogeneous conditions, consequently it is difficult to compare the efficiency of the individual adsorbents. In this study, the adsorption capacities of 12 food waste materials were evaluated by comparing the adsorbents’ efficiency for the removal of 23 elements from complex multi-element solutions, maintaining homogeneous experimental conditions. The examined materials resulted to be extremely efficient for the adsorption of many elements from synthetic multi-element solutions as well as from a heavy metal wastewater. The 12 adsorbent surfaces were analyzed by Fourier transform infrared spectroscopy and showed different types and amounts of functional groups, which demonstrated to act as adsorption active sites for various elements. By multivariate statistical computations of the obtained data, the 12 food waste materials were grouped in five clusters characterized by different elements’ removal efficiency which resulted to be in correlation with the specific adsorbents’ chemical structures. Banana peel, watermelon peel and grape waste resulted the least selective and the most efficient food waste materials for the removal of most of the elements.

Behaviour of trivalent actinides and lanthanide elements in chloride solution; Comportement des lanthanides et transuraniens trivalents en milieu chlorhydrique

Energy Technology Data Exchange (ETDEWEB)

Marin, B [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1969-07-01

The aim of this work is to compare the complexation in chloride solutions of trivalent lanthanides and actinides. We have first studied the solvatation of these cations without complexation. We found a difference between Am, Cm and Rare Earths (we can separate lanthanides into Light and Heavy Rare Earths). For studying the complexation we choose the technic of electrophoresis on paper after establishing a simple theory of mobilities in complex solutions. The hydrolysis of these cations was studied and compared in chloride solutions. We have then studied the complexation with the Cl{sup -} ligand in some solutions: HCl, NH{sub 4}Cl, CaCl{sub 2}, CeCl{sub 3}, LiCl. We have established that the complexation is the same in dilute HCl solutions but in concentrated solutions the trivalent actinides are more complexed. This difference is sharper in LiCl solutions. We also proposed the different models of complex in these solutions. (author) [French] Le but de ce travail est de comparer les transuraniens et lanthanides trivalents au point de vue de leur complexation en solution chlorhydrique. Nous avons ete amenes tout d'abord a etudier la solvatation de ces cations non complexes. C'est ainsi que nous pouvons constater une difference entre Am, Cm et les lanthanides. Ces derniers pouvant se separer en lanthanides legers et lanthanides lourds. Pour etudier la complexation nous avons utilise l'electrophorese sur papier apres avoir donne une theorie simple des mobilites en milieu complexant. Apres avoir etudie et compare l'hydrolyse de ces divers cations en solution chlorhydrique, nous avons etudie leur complexation avec l'ion Cl{sup -} dans dans divers milieux: HCl, NH{sub 4}Cl, CaCl{sub 2}, CeCl{sub 3}, LiCl. ous avons note qu'en solution HCl les deux series se comportent de la meme facon pour des concentrations faibles en Cl{sup -} mais que les transuraniens se complexent plus fortement dans les solutions concentrees. Cette difference s'accroit encore dans les milieux

pyridine-carboxamide complexes

Indian Academy of Sciences (India)

of the solution was reduced by slow evaporation. The prod- uct was ... Data collection, data reduction, structure solu- ... and a selection of bond lengths and angles are shown in. Table 2. ...... Zn(II) complexes featuring a disulfide bridge and H-.

Chemical solution deposition techniques for epitaxial growth of complex oxides

NARCIS (Netherlands)

ten Elshof, Johan E.; Koster, G.; Huijben, Mark; Rijnders, G.

2015-01-01

The chemical solution deposition (CSD) process is a wet-chemical process that is employed to fabricate a wide variety of amorphous and crystalline oxide thin films. This chapter describes the typical steps in a CSD process and their influence on the final microstructure and properties of films, and

1,2,4-Triazines in the Synthesis of Bipyridine Bisphenolate ONNO Ligands and Their Highly Luminescent Tetradentate Pt(II) Complexes for Solution-Processable OLEDs.

Science.gov (United States)

Pander, Piotr; Bulmer, Rachel; Martinscroft, Ross; Thompson, Stuart; Lewis, Frank W; Penfold, Thomas J; Dias, Fernando B; Kozhevnikov, Valery N

2018-04-02

This article describes a convenient method for the synthesis of ONNO-type tetradentate 6,6'-bis(2-phenoxy)-2,2'-bipyridine (bipyridine bisphenolate, BpyBph) ligands and their platinum(II) complexes. The methodology includes the synthesis of 1,2,4-triazine precursors followed by their transformation to functionalized pyridines by the Boger reaction. Two complementary routes employing 3,3'- and 5,5'-bis-triazines allow a modification of the central pyridine rings in different positions, which was exemplified by the introduction of cyclopentene rings. The new ligands were used to prepare highly luminescent ONNO-type Pt(II) complexes. The position of the cyclopentene rings significantly influences the solubility and photophysical properties of these complexes. Derivatives with closely positioned cyclopentene rings are soluble in organic solvents and proved to be the best candidate for solution-processable organic light-emitting devices (OLEDs), showing efficient single-dopant candlelight electroluminescence.

Geometric Series: A New Solution to the Dog Problem

Science.gov (United States)

Dion, Peter; Ho, Anthony

2013-01-01

This article describes what is often referred to as the dog, beetle, mice, ant, or turtle problem. Solutions to this problem exist, some being variations of each other, which involve mathematics of a wide range of complexity. Herein, the authors describe the intuitive solution and the calculus solution and then offer a completely new solution…

Oscillatory solutions of the Cauchy problem for linear differential equations

Directory of Open Access Journals (Sweden)

Gro Hovhannisyan

2015-06-01

Full Text Available We consider the Cauchy problem for second and third order linear differential equations with constant complex coefficients. We describe necessary and sufficient conditions on the data for the existence of oscillatory solutions. It is known that in the case of real coefficients the oscillatory behavior of solutions does not depend on initial values, but we show that this is no longer true in the complex case: hence in practice it is possible to control oscillatory behavior by varying the initial conditions. Our Proofs are based on asymptotic analysis of the zeros of solutions, represented as linear combinations of exponential functions.

Exact traveling wave solutions of fractional order Boussinesq-like equations by applying Exp-function method

Directory of Open Access Journals (Sweden)

Rahmatullah

2018-03-01

Full Text Available We have computed new exact traveling wave solutions, including complex solutions of fractional order Boussinesq-Like equations, occurring in physical sciences and engineering, by applying Exp-function method. The method is blended with fractional complex transformation and modified Riemann-Liouville fractional order operator. Our obtained solutions are verified by substituting back into their corresponding equations. To the best of our knowledge, no other technique has been reported to cope with the said fractional order nonlinear problems combined with variety of exact solutions. Graphically, fractional order solution curves are shown to be strongly related to each other and most importantly, tend to fixate on their integer order solution curve. Our solutions comprise high frequencies and very small amplitude of the wave responses. Keywords: Exp-function method, New exact traveling wave solutions, Modified Riemann-Liouville derivative, Fractional complex transformation, Fractional order Boussinesq-like equations, Symbolic computation

Ultrafast energy transfer in dansylated POPAM--eosin complexes

Science.gov (United States)

Aumanen, Jukka; Lehtovuori, Viivi; Werner, Nicole; Richardt, Gabriele; van Heyst, Jeroen; Vögtle, Fritz; Korppi-Tommola, Jouko

2006-12-01

Excitation energy transfer (EET) in dendritic host-guest complexes has been studied. Three generations G2, G3 and G4 of dansyl substituted poly(propyleneamine) dendrimers (POPAM) were complexed with a fluorescent dye eosin in chloroform solution. Arrival of excitation from dansyls to eosin was monitored by femtosecond transient absorption spectroscopy. EET rates from the dansyls to eosin(s) are characterised by two time constants 1 ps and 6 ps independent of dendrimer generation. Relaxation processes in eosin were clearly faster when complexed with dendrimer than in solution. As several eosins are bound to G3 and G4 dendrimers, besides host-guest interaction, also eosin-eosin interactions may contribute to the faster relaxation observed in these complexes.

Terbium and dysprosium complexes luminescence at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Meshkova, S B; Kravchenko, T B; Kononenko, L.I.; Poluehktov, N S [AN Ukrainskoj SSR, Odessa. Fiziko-Khimicheskij Inst.

1979-01-01

The variation is studied of the luminescence intensity of terbium and dysprosium complexes used in the analysis as solutions are cooled down to the liquid nitrogen temperature. Three groups of methods have been studied: observation of fluorescence of aqueous solutions, precipitate and extract suspensions in organic solvents. The brightest luminescence and greatest increase in luminescence intensity are observed at freezing of complex solvents with 1,2-dioxybenzene-3,5-disulfonic acid (DBSA) and iminodiacetic acid (IDA) and DBSA+EDTA, as well as in the case of benzene extracting of complexes with phenanthroline and salicylic acid. Otherwise the intensity increases 2-14-fold and for the complex of terbium with acetoacetic ester 36-fold.

Rogue waves and rational solutions of a (3+1)-dimensional nonlinear evolution equation

International Nuclear Information System (INIS)

Zhaqilao,

2013-01-01

A simple symbolic computation approach for finding the rogue waves and rational solutions to the nonlinear evolution equation is proposed. It turns out that many rational solutions with real and complex forms of a (3+1)-dimensional nonlinear evolution equation are obtained. Some features of rogue waves and rational solutions are graphically discussed. -- Highlights: •A simple symbolic computation approach for finding the rational solutions to the NEE is proposed. •Some rogue waves and rational solutions with real and complex forms of a (3+1)-D NEE are obtained. •Some features of rogue waves are graphically discussed

Rogue waves and rational solutions of a (3+1)-dimensional nonlinear evolution equation

Energy Technology Data Exchange (ETDEWEB)

Zhaqilao,, E-mail: zhaqilao@imnu.edu.cn

2013-12-06

A simple symbolic computation approach for finding the rogue waves and rational solutions to the nonlinear evolution equation is proposed. It turns out that many rational solutions with real and complex forms of a (3+1)-dimensional nonlinear evolution equation are obtained. Some features of rogue waves and rational solutions are graphically discussed. -- Highlights: •A simple symbolic computation approach for finding the rational solutions to the NEE is proposed. •Some rogue waves and rational solutions with real and complex forms of a (3+1)-D NEE are obtained. •Some features of rogue waves are graphically discussed.

Increased complexity in aesthetic field theory

International Nuclear Information System (INIS)

Muraskin, M.; Ring, B.

1977-01-01

The program of looking for increased complexity within aesthetic field theory is continued. We study a solution with five planar maxima and minima. Another solution in which one counted 19 planar maxima and minima is also studied. This latter solution was obtained by modifying previous principles by allowing for an arbitrariness associated with the integration path in conjunction with the equation GAMMA/sub jk;1//sup i/ = 0

Electrochemical behaviour of alkaline copper complexes

Indian Academy of Sciences (India)

Abstract. A search for non-cyanide plating baths for copper resulted in the development of alkaline copper complex baths containing trisodium citrate [TSC] and triethanolamine [TEA]. Voltammetric studies were carried out on platinum to understand the electrochemical behaviour of these complexes. In TSC solutions, the.

Behaviour of potassium hexabromoruthenate (4) in solutions

International Nuclear Information System (INIS)

Rudnitskaya, O.V.; Miroshnichenko, I.V.; Pichkov, V.N.

1989-01-01

Behaviour of potassium hexabromoruthenate in HBr, H 2 O-acetone, dimethylformamide, dimetnylsulfoxide (DMSO) solutions is investigated by means of absorption and ESR specroscopy. Complex is shown to be labile, interacts easily with solvents forming ruthenium complexes in more low oxidation degrees. Hexabromoruthenate-ion is formed in concentrated HBr, while in DMSO the formation of ruthenium (3) and (2) bromide-dimethylsulfoxide complexes occurs gradually, final product is trans-[Ru(DMSO) 4 Br 2

Enabling Controlling Complex Networks with Local Topological Information.

Science.gov (United States)

Li, Guoqi; Deng, Lei; Xiao, Gaoxi; Tang, Pei; Wen, Changyun; Hu, Wuhua; Pei, Jing; Shi, Luping; Stanley, H Eugene

2018-03-15

Complex networks characterize the nature of internal/external interactions in real-world systems including social, economic, biological, ecological, and technological networks. Two issues keep as obstacles to fulfilling control of large-scale networks: structural controllability which describes the ability to guide a dynamical system from any initial state to any desired final state in finite time, with a suitable choice of inputs; and optimal control, which is a typical control approach to minimize the cost for driving the network to a predefined state with a given number of control inputs. For large complex networks without global information of network topology, both problems remain essentially open. Here we combine graph theory and control theory for tackling the two problems in one go, using only local network topology information. For the structural controllability problem, a distributed local-game matching method is proposed, where every node plays a simple Bayesian game with local information and local interactions with adjacent nodes, ensuring a suboptimal solution at a linear complexity. Starring from any structural controllability solution, a minimizing longest control path method can efficiently reach a good solution for the optimal control in large networks. Our results provide solutions for distributed complex network control and demonstrate a way to link the structural controllability and optimal control together.

Study of actinide paramagnetism in solution

International Nuclear Information System (INIS)

Autillo, Matthieu

2015-01-01

The physiochemical properties of actinide (An) solutions are still difficult to explain, particularly the behavioral differences between An(III) and Ln(III). The study of actinide paramagnetic behavior may be a 'simple' method to analyze the electronic properties of actinide elements and to obtain information on the ligand-actinide interaction. The objective of this PhD thesis is to understand the paramagnetic properties of these elements by magnetic susceptibility measurements and chemical shift studies. Studies on actinide electronic properties at various oxidation states in solution were carried out by magnetic susceptibility measurements in solution according to the Evans method. Unlike Ln(III) elements, there is no specific theory describing the magnetic properties of these ions in solution. To obtain accurate data, the influence of experimental measurement technique and radioactivity of these elements was analyzed. Then, to describe the electronic structure of their low energy states, the experimental results were complemented with quantum chemical calculations from which the influence of the ligand field was studied. Finally, these interpretations were applied to better understand the variations in the magnetic properties of actinide cations in chloride and nitrate media. Information about ligand-actinide interactions may be determined from an NMR chemical shift study of actinide complexes. Indeed, modifications induced by a paramagnetic complex can be separated into two components. The first component, a Fermi contact contribution (δ_c) is related to the degree of covalency in coordination bonds with the actinide ions and the second, a dipolar contribution (δ_p_c) is related to the structure of the complex. The paramagnetic induced shift can be used only if we can isolate these two terms. To achieve this study on actinide elements, we chose to work with the complexes of dipicolinic acid (DPA). Firstly, to characterize the geometrical parameters, a

[Determination of Chloride Salt Solution by NIR Spectroscopy].

Science.gov (United States)

Zhang, Bin; Chen, Jian-hong; Jiao, Ming-xing

2015-07-01

Determination of chloride salt solution by near infrared spectrum plays a very important role in Biomedicine. The near infrared spectrum analysis of Sodium chloride, potassium chloride, calcium chloride aqueous solution shows that the concentration change of chloride salt can affect hydrogen bond, resulting in the variation of near infrared spectrum of water. The temperature influence on NIR spectrum has been decreased by choosing reasonable wavelength range and the wavelength where the temperature effects are zero (isosbestic point). Chlorine salt prediction model was established based on partial least squares method and used for predicting the concentration of the chlorine ion. The impact on near infrared spectrum of the cation ionic radius, the number of ionic charge, the complex effect of ionic in water has also discussed in this article and the reason of every factor are analysed. Experimental results show that the temperature and concentration will affect the near-infrared spectrum of the solution, It is found that the effect of temperature plays the dominant role at low concentrations of chlorine salt; rather, the ionic dominates at high concentration. Chloride complexes are formed in aqueous solution, It has an effect on hydrogen bond of water combining with the cations in chlorine salt solution, Comparing different chloride solutions at the same concentration, the destruction effects of chloride complexes and catnions on the hydrogen bond of water increases in the sequences: CaCl2 >NaCl>KC. The modeling result shows that the determination coefficients (R2) = 99.97%, the root mean square error of cross validation (RM- SECV) = 4.51, and the residual prediction deviation (RPD) = 62.7, it meets the daily requirements of biochemical detection accuracy.

Dissipative quantum trajectories in complex space: Damped harmonic oscillator

Energy Technology Data Exchange (ETDEWEB)

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

2016-10-15

Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton–Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation for the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.

Dissipative quantum trajectories in complex space: Damped harmonic oscillator

International Nuclear Information System (INIS)

Chou, Chia-Chun

2016-01-01

Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton–Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation for the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.

Highly Luminescent Lanthanide Complexes of 1 Hydroxy-2-pyridinones

Energy Technology Data Exchange (ETDEWEB)

University of California, Berkeley; Lawrence National Laboratory; Raymond, Kenneth; Moore, Evan G.; Xu, Jide; Jocher, Christoph J.; Castro-Rodriguez, Ingrid; Raymond, Kenneth N.

2007-11-01

The synthesis, X-ray structure, stability, and photophysical properties of several trivalent lanthanide complexes formed from two differing bis-bidentate ligands incorporating either alkyl or alkyl ether linkages and featuring the 1-hydroxy-2-pyridinone (1,2-HOPO) chelate group in complex with Eu(III), Sm(III) and Gd(III) are reported. The Eu(III) complexes are among some of the best examples, pairing highly efficient emission ({Phi}{sub tot}{sup Eu} {approx} 21.5%) with high stability (pEu {approx} 18.6) in aqueous solution, and are excellent candidates for use in biological assays. A comparison of the observed behavior of the complexes with differing backbone linkages shows remarkable similarities, both in stability and photophysical properties. Low temperature photophysical measurements for a Gd(III) complex were also used to gain insight into the electronic structure, and were found to agree with corresponding TD-DFT calculations for a model complex. A comparison of the high resolution Eu(III) emission spectra in solution and from single crystals also revealed a more symmetric coordination geometry about the metal ion in solution due to dynamic rotation of the observed solid state structure.

Coulometric titration of niobium in EDTA complexing solution

International Nuclear Information System (INIS)

Pannu, S.S.

1976-01-01

Constant current coulometry of Nb in EDTA was studied employing both potentiometric and amperometric end-point techniques. The titrations were based on the oxidation of Nb(IV)-EDTA with electrogenerated Fe(III) at a graphite anode. The rate of disproportionation of Nb(IV)-EDTA was found to be slow enough not to effect the accuracy sought for the titration. The coulometric titration of Nb in EDTA was found to be more accurate than in 1F sulfuric acid. The mean error in the titrations of 4.76 to 19.65 of Nb in a volume of about 100 ml of 0.02 to 0.04F EDTA was 0.13%. It was found that Ta may be tolerated to a ratio of 1:4, Ta:Nb, in a solution containing 13 mg of Nb. (author)

Complex and biofluids: From Maxwell to nowadays

Science.gov (United States)

Misbah, Chaouqi

2009-11-01

Complex fluids are the rule in biology and in many industrial applications. Typical examples are blood, cartilage, and polymer solutions. Unlike water (as well as domestic oils, soft clear drinks, and so on), the law(s) describing the behavior of complex fluids are not yet fully established. The complexity arises from strong coupling between microscopic scales (like the motion of a red blood cell in the case of blood, or a polymer molecule for a polymer solution) and the global scale of the flow (say at the scale of a blood artery, or a channel in laboratory experiments). In this issue entitled Complex and Biofluids a large panel of experimental and theoretical problems of complex fluids is exposed. The topics range from dilute polymer solutions, food products, to biology (blood flow, cell and tissue mechanics). One of the earliest model put forward as an attempt to describe a complex fluid was suggested a long time ago by James Clerk Maxwell (in 1867). Other famous scientists, like Einstein (in 1906), and Taylor (in 1932) have made important contributions to the field, but the topic of complex fluids still continues to pose a formidable challenge to science. This field has known during the past decade an unbelievable upsurge of interest in many branches of science (physics, mechanics, chemistry, biology, medical science, mathematics, and so on). Understanding complex fluids is viewed as one of the biggest challenge of the present century. This synthesis will provide a simple introduction to the topic, summarize the main contribution of this issue, and list major open questions in this field. To cite this article: C. Misbah, C. R. Physique 10 (2009).

Ductile fracture mechanics methodology for complex cracks in nuclear piping

Energy Technology Data Exchange (ETDEWEB)

Zahoor, A.

1988-02-01

Limit load and J-integral estimation solutions are developed for circumferentially complex-cracked pipes in bending. The limit load solution is developed using thick-walled cylinder analysis which included the effects of flaw depth accurately. J-integral estimation solutions are developed that are suitable for a wide range of loading from linear elastic, elastic-plastic to net-section yielding of the flawed section. Mode I stress intensity factor solution is developed from experimental compliance data. Two types of J solutions are developed. First, J solutions for determining the J-resistance curve from single load-displacement record are presented. Next, elastic-plastic J solution in the format of EPRI J estimation scheme is presented. The latter solution was used to predict the load carrying capacity of complex-cracked pipes made of Type-304 stainless steel, Inconel 600, and A106 GrB materials. Predictions were compared against pipe tests to demonstrate the accuracy of the limit load and J estimation solutions.

Ductile fracture mechanics methodology for complex cracks in nuclear piping

International Nuclear Information System (INIS)

Zahoor, A.

1988-01-01

Limit load and J-integral estimation solutions are developed for circumferentially complex-cracked pipes in bending. The limit load solution is developed using thick-walled cylinder analysis which included the effects of flaw depth accurately. J-integral estimation solutions are developed that are suitable for a wide range of loading from linear elastic, elastic-plastic to net-section yielding of the flawed section. Mode I stress intensity factor solution is developed from experimental compliance data. Two types of J solutions are developed. First, J solutions for determining the J-resistance curve from single load-displacement record are presented. Next, elastic-plastic J solution in the format of EPRI J estimation scheme is presented. The latter solution was used to predict the load carrying capacity of complex-cracked pipes made of Type-304 stainless steel, Inconel 600, and A106 GrB materials. Predictions were compared against pipe tests to demonstrate the accuracy of the limit load and J estimation solutions. (orig.)

Mass and spin of double dual solutions in Poincare gauge theory

International Nuclear Information System (INIS)

Mielke, E.W.; Wallner, R.P.

1988-01-01

Mass and spin are derived for a class of exact solutions of the Poincare gauge (PG) theory of gravity, provided the curvature fulfills a modified double-duality ansatz. It is executed a (3+1)-decomposition and clarified and semplified the structure of the energy-momentum and spin complexes. In case the quadratic PG Lagrangian contains the curvature-square pieces in the Yang-Mills fashion, the (3+1)-decomposition provides rather detailed information on admissible solutions. The PG energy-momentum complex turns out to be intimately related to the von Freud complex of general relativity

Performance Measurement of Complex Event Platforms

Directory of Open Access Journals (Sweden)

Eva Zámečníková

2016-12-01

Full Text Available The aim of this paper is to find and compare existing solutions of complex event processing platforms (CEP. CEP platforms generally serve for processing and/or predicting of high frequency data. We intend to use CEP platform for processing of complex time series and integrate a solution for newly proposed method of decision making. The decision making process will be described by formal grammar. As there are lots of CEP solutions we will take the following characteristics under consideration - the processing in real time, possibility of processing of high volume data from multiple sources, platform independence, platform allowing integration with user solution and open license. At first we will talk about existing CEP tools and their specific way of use in praxis. Then we will mention the design of method for formalization of business rules used for decision making. Afterwards, we focus on two platforms which seem to be the best fit for integration of our solution and we will list the main pros and cons of each approach. Next part is devoted to benchmark platforms for CEP. Final part is devoted to experimental measurements of platform with integrated method for decision support.

Spectroscopy of plutonium-organic complexes

International Nuclear Information System (INIS)

Richmann, M.K.; Reed, D.T.

1995-01-01

Information on the spectroscopy of plutonium-organic complexes is needed to help establish the speciation of these complexes under environmentally relevant conditions. Laser photoacoustic spectroscopy (LPAS) and absorption spectrometry were used to characterize the Pu(IV)-citrate and Pu(IV)-nitrilotriacetic acid (NTA) complexes at concentrations of 10 -3 --10 -7 M in aqueous solution. Good agreement was observed between the band shape of the LPAS and absorption spectra for the Pu(IV)-NTA complex. Agreement for the Pu(IV)-citrate complex was not quite as good. In both cases, a linear dependence of the LPAS signal on laser power and total concentration of the complexes was noted. This work is part of an ongoing research effort to study key subsurface interactions of plutonium-organic complexes

Ligand exchange in uranyl complexes in non-aqueous solutions: equilibrium properties

International Nuclear Information System (INIS)

Egozy, Y.; Weiss, S.

1976-01-01

The systems uranyl nitrate, tributylphosphate and 8-hydroxyquinoline or diphenylcarbazone were studied in chloroform, carbon tetrachloride and 1,2-dichloroethane at a number of temperatures. The nature of the complexes formed was determined and the equilibrium constants and several thermodynamic functions were measured. 8-hydroxyquinoline and diphenylcarbazone will be valuable as indicators for uranyl in kinetic studies. They are also interesting since they participate, along with tributylphosphate, in formation of synergistic complexes. (author)

Spectroscopic (IR, NMR) and conductometric characterization of lithium aluminum hydride - crown ethers complexes [Li{sup +}-C E](A I H{sub 4})- with C E=syn-isomers of DC 18-C-6 in benzene solutions; Caracterisation par spectrometrie (IR, RMN) et conductimetrie des complexes entre le tetrahydrualuminate de lithium LiAIH{sub 4} et l`ether-couronne DC 18-C-6* (isomeres cis-anti-cis et cis-syn-cis) en solution dans le benzene (*2,3,11,12-dicyclohexano-1,4,7,10,13,16-hexacyclooctadecane)

Energy Technology Data Exchange (ETDEWEB)

Bastide, J P; Ezzemouri, K; Carre, J; Bouamrane, A; Claudy, P [Institut National des Sciences Appliquees (INSA), 69 - Villeurbanne (France); Frange, B [Faculte des Sciences, 21 - Dijon (France)

1996-03-01

[Li{sup +}-C E](AIH{sub 4}){sup -} complexes with C E = syn and anti-isomers of the crown ether DC 18-C-6 have been characterized in benzene solutions by IR (infrared spectroscopy), NMR (nuclear magnetic resonance) and conductometry (at 298 K). The properties of these complexes are closely related to those of the cation [Li{sup +}-C E]. For the anti-isomer, no distortion of the macrocycle was noticed after complexation, the Li{sup +} trapped cation is coordinated with four oxygen atoms of the cavity, and the complex exhibits a covalent behavior. Electrical conductivity of the benzene solution is concentration independent and has a very low mean value ({lambda} = 0,06 {omega}{sup -1}.cm{sup 2}.mol{sup -1}). The macrocycle of the syn-isomer is drastically distorted after complexation. A tridimensional cavity is formed, in which the Li{sup +} trapped cation is coordinated with six oxygen atoms. As a consequence, the species exhibits a high degree of ionic character due to the stretching of the Li{sup +}---(AIH{sub 4}){sup -} bond. Electrical conductivity is enhanced for dilute solutions (x 10 at C 0,01 mol.L{sup -1}). The regular tetrahedral symmetry of (AIH{sub 4}){sup -} anion is retained in the molecular structure of the two complexes. Benzene solutions of [Li-+-syn-DC 18-C-6](AIH{sub 4}){sup -} appear to be the first example of free-(AIH{sub 4}){sup -} anions in a non-polar organic medium. (authors). 22 refs., 3 figs., 4 tabs.

Use of Electro-spray Ionization Mass Spectrometry (ESI-MS) for the characterization of complexes 'ligand - metallic cations' in solution

Energy Technology Data Exchange (ETDEWEB)

Berthon, Laurence; Zorz, Nicole; Lagrave, Stephanie; Gannaz, Benoit; Hill, Clement [CEA-Marcoule DEN-DRCP-SCPS-LCSE, BP 17171, 30207 Bagnols sur Ceze cedex (France)

2008-07-01

In the framework of nuclear waste reprocessing, separation processes of minor actinides from fission products are developed by Cea. In order to understand the mechanisms involved in the extraction processes, the 'ligand/metallic cation' complexes, formed in the organic phases are characterized by electro-spray-mass-spectrometry (ESI-MS). This paper deals with the extraction of lanthanides (III) and americium (III) cations by an organic phase composed of a malonamide or / and a dialkyl phosphoric acid, diluted in an aliphatic diluent. For the dialkyl phosphoric acid, Ln(DEHP){sub 3}(HDEHP){sub 3} complexes are observed and in the presence of a large excess of Ln(NO{sub 3}){sub 3}, dinuclear species are also observed. For the malonamide extractant, it appears that the complexes formed in the organic phase are of the Nd(NO{sub 3}){sub 3}D{sub x} type, with 2 {<=} x {<=} 4: their distributions depend on the ratio [Ln]/[DMDOHEMA]. When the two extractants are present in the organic phase, mixed 'Ln-malonamide-dialkyl phosphoric acid' species are observed. The influence of several parameters, such as extractant concentration, solute concentration, aqueous acidity and the nature of the cations (lanthanides or americium) are studied. (authors)

Reduction of product platform complexity by vectorial Euclidean algorithm

International Nuclear Information System (INIS)

Navarrete, Israel Aguilera; Guzman, Alejandro A. Lozano

2013-01-01

In traditional machine, equipment and devices design, technical solutions are practically independent, thus increasing designs cost and complexity. Overcoming this situation has been tackled just using designer's experience. In this work, a product platform complexity reduction is presented based on a matrix representation of technical solutions versus product properties. This matrix represents the product platform. From this matrix, the Euclidean distances among technical solutions are obtained. Thus, the vectorial distances among technical solutions are identified in a new matrix of order of the number of technical solutions identified. This new matrix can be reorganized in groups with a hierarchical structure, in such a way that modular design of products is now more tractable. As a result of this procedure, the minimum vector distances are found thus being possible to identify the best technical solutions for the design problem raised. Application of these concepts is shown with two examples.

Comparative solution equilibrium studies on pentamethylcyclopentadienyl rhodium complexes of 2,2'-bipyridine and ethylenediamine and their interaction with human serum albumin.

Science.gov (United States)

Enyedy, Éva A; Mészáros, János P; Dömötör, Orsolya; Hackl, Carmen M; Roller, Alexander; Keppler, Bernhard K; Kandioller, Wolfgang

2015-11-01

Complex formation equilibrium processes of the (N,N) donor containing 2,2'-bipyridine (bpy) and ethylenediamine (en) with (η(5)-pentamethylcyclopentadienyl)rhodium(III) were investigated in aqueous solution via pH-potentiometry, (1)H NMR spectroscopy, and UV-vis spectrophotometry in the absence and presence of chloride ions. The structure of [RhCp*(en)Cl]ClO4 (Cp*, pentamethylcyclopentadienyl) was also studied by single-crystal X-ray diffraction. pKa values of 8.56 and 9.58 were determined for [RhCp*(bpy)(H2O)](2+) and [RhCp*(en)(H2O)](2+), respectively resulting in the formation of negligible amount of mixed hydroxido complexes at pH 7.4. Stability and the H2O/Cl(-) co-ligand exchange constants of bpy and en complexes considerably exceed those of the bidentate O-donor deferiprone. The strong affinity of the bpy and en complexes to chloride ions most probably contributes to their low antiproliferative effect. Interactions between human serum albumin (HSA) and [RhCp*(H2O)3](2+), its complexes formed with deferiprone, bpy and en were also monitored by (1)H NMR spectroscopy, ultrafiltration/UV-vis and spectrofluorometry. Numerous binding sites (≥ 8) are available for [RhCp*(H2O)3](2+); and the interaction takes place most probably via covalent bonds through the imidazole nitrogen of His. According to the various fluorescence studies [RhCp*(H2O)3](2+) binds on sites I and II, and coordination of surface side chain donor atoms of the protein is also feasible. The binding of the bpy and en complex is weaker and slower compared to that of [RhCp*(H2O)3](2+), and formation of ternary HSA-RhCp*-ligand adducts was proved. In the case of the deferiprone complex, the RhCp* fragment is cleaved off when HSA is loaded with low equivalents of the compound.

Stoichiometry of pyrogallol/ammonium-nitrogen complex using ...

African Journals Online (AJOL)

This complex, which we now refer to as P/NH4 +-N complex, can be the basis for the spectrophotometric determination of NH4 +-N in aqueous solution. Aqueous NH4 +-N is a very important pollution index. Therefore it is imperative that the stoichiometry of this complex be thoroughly understood. In this work, Job's method of ...

Processing Solutions for Big Data in Astronomy

Science.gov (United States)

Fillatre, L.; Lepiller, D.

2016-09-01

This paper gives a simple introduction to processing solutions applied to massive amounts of data. It proposes a general presentation of the Big Data paradigm. The Hadoop framework, which is considered as the pioneering processing solution for Big Data, is described together with YARN, the integrated Hadoop tool for resource allocation. This paper also presents the main tools for the management of both the storage (NoSQL solutions) and computing capacities (MapReduce parallel processing schema) of a cluster of machines. Finally, more recent processing solutions like Spark are discussed. Big Data frameworks are now able to run complex applications while keeping the programming simple and greatly improving the computing speed.

Exploration of spectroscopic properties of solvated tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III)red hybrid organic complex for solution processed OLEDs and displays

International Nuclear Information System (INIS)

Chitnis, Dipti; Thejokalyani, N.; Dhoble, S.J.

2017-01-01

In order to explore the spectroscopic properties of a novel europium activated hybrid organic tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III), Eu(TTA) 3 bipy phosphor in various solvents at different pH and molar concentrations, UV–vis optical absorption and photoluminescence spectra were carried out. With a variation in the solvent from basic (chloroform, toluene, tetrahydrofuran) to acidic (acetic acid, formic acid) media, staggering differences in optical absorptions and optical densities were noticed with hypsochromic shift in the absorption peaks. The optical density was found to be maximum for the complex with pH= 7.0 and the intensity as well as optical density gradually decreased when pH is lowered to 6.0 or raised to 8.0 (at an interval of 0.5), proving that the complex is pH sensitive. It's optical energy gap and stokes shift values in various organic solvents were also calculated on the basis of Lippert-Mataga plot. The exploration of spectroscopic properties of solvated Eu(TTA) 3 bipy complex demonstrates its prospective for solution processed OLEDs and display devices. - Graphical abstract: Pictorial depiction of photoluminescence in solvated Eu(TTA) 3 bipy complex under UV light.

Study of Sr sup 2+ and Eu sup 2+ complexing with 18-crown-6 in aqueous-ethanolic solutions. Izuchenie kompleksoobrazovaniya Sr sup 2+ i Eu sup 2+ s 18-kraun-6 v vodno-ehtanol'nykh rastvorakh

Energy Technology Data Exchange (ETDEWEB)

Kulyukhin, S A; Majorov, A V; Kamenskaya, A N; Mikheev, N B

1989-01-01

Using cocrystallization and conductometry methods Sr{sup 2+} and Eu{sup 2+} complexing with 18-crown-6 in aqueous-ethanolic solutions at (H{sub 2}O)=10 mol/l is studied. Stability constants of Sr{sup 2+} and Eu{sup 2+} complexes with 18-crown-6 in C{sub 2}H{sub 5}OH, for which lg{beta} is equal to (4.76{plus minus}0.12) and (4.72{plus minus}0.13) respectively, are determined. Comparison of the investigated elements features during complexing with 18-crown-6 in aqueous and aqueous-ethanolic solutions is carried out. It is shown that both in water and in C{sub 2}H{sub 5}OH -10 mol/l H{sub 2}O system under Sr{sup 2+} and Eu{sup 2+} complexing with 18-crown-6 the differences in properties of these elements are not detected.

Dimethyl sulfoxide complexing with iodine

Energy Technology Data Exchange (ETDEWEB)

Borovikov, Yu Ya; Serguchev, Yu A; Staninets, V I

1986-01-01

Dielectrometry, conductometry, IR-spectroscopy are used to study dimethyl sulfoxide complexing with iodine in binary system and in CCl/sub 4/, C/sub 6/H/sub 6/, C/sub 6/H/sub 5/Cl, C/sub 6/H/sub 5/CF/sub 3/, 1, 2-dichloroethane solutions. Complexes of 1:1 composition are formed in solutions, in the binary system of 2:1 and 2:2 composition. I/sub 2/ molecules add to oxygen atoms. In CCl/sub 4/ and in binary system gradual transformation of so called external charge transfer complexes (CTC-1) to internal ones (CTC-2) that are described by the 1st order reaction kinetic equations is observed. On dissolution of CTC of 2:2 composition they disproportionate into two CTC molecules 1:1. Enthalpy of forming CTC-1 1:1 is approximately 4 kcal/mol, CTC-2 1:1 - 8, CTC-1 2:1 - 8 kcal/mol.

Nuclear weapons complex

International Nuclear Information System (INIS)

Peach, J.D.

1991-02-01

In this paper, GAO provides its views on DOE's January 1991 Nuclear Weapons Complex Reconfiguration Study. GAO believes that DOE's new reconfiguration study provides a starting point for reaching agreement on solutions to many of the complex's problems. Key decisions still need to be made about the size of the complex, where to relocate plutonium operations, what technologies should be used for new tritium production, and what to do with excess plutonium. The total cost for reconfiguring and modernizing is still uncertain and some management issues remain unresolved. Congress faces a difficult task in making these decisions given the conflicting demands for scare resources in a time of growing budget deficits and war in the Persian Gulf

Electron spin resonance of vanadium(4)-thallium(1) dithiocarbamate complexes

International Nuclear Information System (INIS)

Ivanov, A.V.; Solozhenkin, P.M.; Baratova, Z.R.; Klyashtornyj, V.B.; Uskov, V.Yu.

1990-01-01

Heteronuclear vanadium(4), thallium(1) dithiocarbanate complexes of the composition TlVO(Dtc) 3 and Tl 2 VO(Dtc) 4 under conditions of magnetic dilution were studied by ESR spectroscopy. Magnetically diluted complexes were prepared by coprecipitation from aqueous solutions of thallium(1) and oxovanadium(2) by solutions of sodium diethyldithiocarbamate, dibutyldithiocarbamate, hexamethylenedithiocarbamate, taken in superstoichiometric excess. Analysis of parameters of ESR spectra of the complexes synthesized shows that thallium atoms are not included in the first coordination sphere of oxovanadium(2), and chelate node VS 4 in thallium(1) complex lattice practically preserves its plane quadratic structure

[Surgical solutions to luxation of the IOL--capsular bag--capsular tension ring complex].

Science.gov (United States)

Berthout, A; Turut, P; Taboureau, E; Denimal, F; Milazzo, S

2007-02-01

The spontaneous luxation of the intraocular lens-capsular bag-capsular tension ring complex is a serious but fortunately rare complication. The authors report a combined surgical procedure to reposition the complex in a patient who was operated on for bilateral lens subluxation 4 years before and whose enophthalmia made surgery difficult. Two surgical techniques can be considered to reposition the complex and avoid explantation. The McCannel modified stitch can capture the complex with the help of a transcorneal point and then a transscleral suture on the 12 o'clock meridian, despite the enophthalmia of the patient; the Moreno transscleral stitch. Both techniques suture the complex to the ciliary sulcus. Moreno's technique is easy and safe for the endothelium and must therefore be attempted first. In case of failure, the McCannel modified stitch remains a useful and satisfying procedure allowing transscleral fixation of the complex to the sulcus at the cost of a minimal corneal trauma.

Complex operator method of the hydrogen atom

International Nuclear Information System (INIS)

Jiang, X.

1989-01-01

Frequently the hydrogen atom eigenvalue problem is analytically solved by solving a radial wave equation for a particle in a Coulomb field. In this article, complex coordinates are introduced, and an expression for the energy levels of the hydrogen atom is obtained by means of the algebraic solution of operators. The form of this solution is in accord with that of the analytical solution

Inner- and outer-sphere complexation of ions at the goethite-solution interface

NARCIS (Netherlands)

Rahnemaie, R.; Hiemstra, T.; Riemsdijk, van W.H.

2006-01-01

Formation of inner- and outer-sphere complexes of environmentally important divalent ions on the goethite surface was examined by applying the charge distribution CD model for inner- and outer-sphere complexation. The model assumes spatial charge distribution between the surface (0-plane) and the

Study of new complexes of uranium and comba radical. II-Complexes formed in the presence of OH-, CO3H, CH3-COO-, and B4O7

International Nuclear Information System (INIS)

Vera Palomino, V.; Galiano Sedano, J. A.; Parellada Bellod, R.; Bellido Gonzalez, A.

1975-01-01

Several complexes extracted with CDMBAC organic solutions from uranium aqueous solutions, in presence of sodium and ammonium hydroxides, are studied. These complexes fit to the general formula: U0 2 (OH) n (C[DMBA) n -2 . The uranium extraction in presence of an excess of sodium bicarbonate is also studied. From aqueous solutions of uranyl acetate we have isolated the complex U0 2 (CH 3 -C00) n (CDMBA) n -2. In presence of boric acid and sodium tetraborate an U-CDMBA compound containing boron in its molecule has being obtained by precipitation and liquid-liquid extraction. (Author) 5 refs

COULCC: A continued-fraction algorithm for Coulomb functions of complex order with complex arguments

International Nuclear Information System (INIS)

Thompson, I.J.; Barnett, A.R.

1985-01-01

The routine COULCC calculates both the oscillating and the exponentially varying Coulomb wave functions, and their radial derivations, for complex eta(Sommerfeld parameter), complex energies and complex angular momenta. The functions for uncharged scattering (spherical Bessels) and cylindrical Bessel functions are special cases which are more easily solved. Two linearly independent solutions are found, in general, to the differential equation f''(x)+g(x)f(x)=0, where g(x) has x 0 , x -1 and x -2 terms, with coefficients 1, -2eta and -lambda(lambda+1), respectively. (orig.)

Solitons and separable elliptic solutions of the sine-Gordon equation

International Nuclear Information System (INIS)

Bryan, A.C.; Haines, C.R.; Stuart, A.E.G.

1979-01-01

It is pointed out that the two-soliton (antisoliton) solutions of the sine-Gordon equation may be obtained as limiting cases of a separable, two-parameter family of elliptic solutions. The solitons are found on the boundary of the parameter space for the elliptic solutions when the latter are considered over their usual complex domain. (Auth.)

LABOUR TAXATION: FORMAL AND INFORMAL SOLUTIONS

Directory of Open Access Journals (Sweden)

Ioana Maria Costea

2012-11-01

Full Text Available The present study aims to create a panorama of doctrinal, legal and jurisprudential solutions, which determine the heterogeneity of labour market’s fiscal hypotheses’. The study identifies a progressive series of interactions between economic and social factors, which generate at the juridical level a specific series of fiscal solutions, both traditional and innovating for the qualification and taxation of labour revenues. Heterogeneity of working forms is presently a complex, main direction in business with effects both at economic and legal level. This study provides an overview of statutory and case-law solutions for the legal classification and therefore tax classification of personal income.

Critical Fluctuations in Spatial Complex Networks

Science.gov (United States)

Bradde, Serena; Caccioli, Fabio; Dall'Asta, Luca; Bianconi, Ginestra

2010-05-01

An anomalous mean-field solution is known to capture the nontrivial phase diagram of the Ising model in annealed complex networks. Nevertheless, the critical fluctuations in random complex networks remain mean field. Here we show that a breakdown of this scenario can be obtained when complex networks are embedded in geometrical spaces. Through the analysis of the Ising model on annealed spatial networks, we reveal, in particular, the spectral properties of networks responsible for critical fluctuations and we generalize the Ginsburg criterion to complex topologies.

Photometric determination of the composition and dissociation constants of niobium (5) citrate complexes

International Nuclear Information System (INIS)

Grigor'eva, V.V.; Golubeva, I.V.

1979-01-01

Niobium (5) citrate complexes in aqueous solution (pH 1-6) are investigated. To determine the complexes composition the metal-indicator method has been applied. Experimental data have been treated by the method of equilibrium shift using somewhat changed variant of the metal-indicator method. The complex ion charge in the solution has been determined by the ion-exchange method. Dissociation constants of citrate complexes have been determined photometrically

Potentiometric determination of free nitric-acid in trilaurylamine solutions containing plutonium nitrate; Dosage potentiometrique de l'acidite nitrique libre dans les solutions organiques de trilaurylamine

Energy Technology Data Exchange (ETDEWEB)

Perez, J J; Saey, J C [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1965-07-01

A potentiometric method of determination of the free nitric acid in trilaurylamine solutions containing plutonium or thorium nitrates is described. The potentiometric titration is carried out in a mixture of benzene and 1,2-dichloro ethane with a standard solution of trilaurylamine as the titrant. When thorium nitrate is present the metal complex is not dissociated then the titration has a single end-point. In the case of plutonium nitrate the partial dissociation of the plutonium complex corresponds to a second point. The experimental error in duplicate analyses of 50 samples is about 1 per cent for free acid concentrations in the range of 0,03 to 0,1 N and plutonium concentrations between 1 to 5 g/l. (authors) [French] Une methode potentiometrique de dosage de l'acidite nitrique libre dans les solutions de trilaurylamine contenant un complexe de plutonium ou de thorium est decrite. La potentiometrie est effectuee en prenant comme base titrante la trilaurylamine et comme milieu de dilution un melange de benzene et de 1,2 dichloroethane. Dans le cas du thorium, le complexe organometallique n'est pas deplace et la courbe de titrage presente un seul point d'inflexion. Dans le cas du plutonium le complexe est partiellement dissocie ce qui correspond a un second saut de potentiel. La moyenne des erreurs experimentales sur 50 echantillons doses a ete d'environ {+-} 1 pour cent sur l'acide libre. Les solutions experimentees contenaient de 0,03 a 0,1 N en acide et de 1 a 5 g/l en plutonium. (auteurs)

Technetium complexation by macrocyclic compounds

International Nuclear Information System (INIS)

Li Fan Yu.

1983-01-01

Research in nuclear medicine are directed towards the labelling of biological molecules, however, sup(99m)Tc does not show sufficient affinity for these molecules. The aim of this study was to evaluate the ability of macrocyclic compounds to bind strongly technetium in order to be used as complexation intermediate. The reducing agents used were a stannous complex and sodium dithionite. Cryptates and polyesters are not good complexing agents. They form two complexes: a 2:1 sandwich complex or 3:2 and a 1:1 complex. Cyclams are good complexing agents for technetium their complexations strength was determined by competition with pyrophosphate, gluconate and DTPA. Using the method of ligand exchange, the oxidation state of technetium in the Tc-cyclam complex was IV or V. They are 1:1 cationic complexes, the complex charge is +1. The biodistribution in rats of labelling solutions containing (cyclam 14 ane N 4 ) C 12 H 25 shows a good urinary excretion without intoxication risks [fr

Complexation of Polyelectrolytes with Hydrophobic Drug Molecules in Salt-Free Solution: Theory and Simulations.

Science.gov (United States)

Lei, Qun-Li; Hadinoto, Kunn; Ni, Ran

2017-04-18

The delivery and dissolution of poorly soluble drugs is challenging in the pharmaceutical industry. One way to significantly improve the delivery efficiency is to incorporate these hydrophobic small molecules into a colloidal polyelectrolyes(PE)-drug complex in their ionized states. Despite its huge application value, the general mechanism of PE collapse and complex formation in this system has not been well understood. In this work, by combining a mean-field theory with extensive molecular simulations, we unveil the phase behaviors of the system under dilute and salt-free conditions. We find that the complexation is a first-order-like phase transition triggered by the hydrophobic attraction between the drug molecules. Importantly, the valence ratio between the drug molecule and PE monomer plays a crucial role in determining the stability and morphology of the complex. Moreover, the sign of the zeta potential and the net charge of the complex are found to be inverted as the hydrophobicity of the drug molecules increases. Both theory and simulation indicate that the complexation point and complex morphology and the electrostatic properties of the complex have a weak dependence on chain length. Finally, the dynamics aspect of PE-drug complexation is also explored, and it is found that the complex can be trapped into a nonequilibrium glasslike state when the hydropobicity of the drug molecule is too strong. Our work gives a clear physical picture behind the PE-drug complexation phenomenon and provides guidelines to fabricate the colloidal PE-drug complex with the desired physical characteristics.

unsymmetrical Schiff base complexes

Indian Academy of Sciences (India)

the effect of the substitutional groups of the Schiff base on the oxidation and reduction potentials, we used ... Electrochemistry of these complexes showed that the presence of electron .... a solution of the ligand (1 mmol) in methanol (15 mL).

Exact solutions for some discrete models of the Boltzmann equation

International Nuclear Information System (INIS)

Cabannes, H.; Hong Tiem, D.

1987-01-01

For the simplest of the discrete models of the Boltzmann equation: the Broadwell model, exact solutions have been obtained by Cornille in the form of bisolitons. In the present Note, we build exact solutions for more complex models [fr

Theoretical study about L-arginine complexes formation with thiotriazolin

Directory of Open Access Journals (Sweden)

L. I. Kucherenko

2017-02-01

Full Text Available Brain vascular diseases are one of the leading causes of morbidity, mortality and disability of population in the industrialized countries of the world. An important element of this problem’s solution is the creation of new highly effective and safe drugs, which would lead to mortality reduction, to increase in life expectancy and quality of life. Therefore it is interesting to create a new combined drug based on L-arginine and thiotriazolin. Purpose of the study: to consider the possible structure and energy characteristics of complexes formed by L-arginine, 3-methyl-1,2,4-triazolyl-5-thioacetate (MTTA and morpholine. Calculation method. The initial approximation to the complex geometry was obtained using molecular docking with the help of AutoDock Vina program. The obtained ternary complexes were pre-optimized by semi-empirical PM7 method with modeling the impact of the environment by COSMO method. The calculations were carried out using MOPAC2012 program. Then they were optimized by B97-D3/SVP + COSMO (Water dispersion-corrected DFT-D with geometrical spreading correction on insufficiency of gCP basis set. A more accurate calculation of the solvation energy was conducted by SMD. The calculations by density functional method were carried out using the ORCA 3.0.3 software. Energy complex formation in solution was calculated as the difference of the Gibbs free energy of the solvated complex and its individual components. Results. Quantum chemical calculations show, that thiotriazolin and L-arginine are able to form ternary complexes, where molecules are linked by multiple hydrogen bonds. The calculation data suggest, that studied complexes are thermodynamically unstable in solution. The energies of them are positive, but rather low despite charge gain of a number of intermolecular hydrogen bonds. Finding. Based on the results of the conducted quantum-chemical study of a three components system (MTTA, morpholine, and L-arginine it is possible

Complex centers of polynomial differential equations

Directory of Open Access Journals (Sweden)

Mohamad Ali M. Alwash

2007-07-01

Full Text Available We present some results on the existence and nonexistence of centers for polynomial first order ordinary differential equations with complex coefficients. In particular, we show that binomial differential equations without linear terms do not have complex centers. Classes of polynomial differential equations, with more than two terms, are presented that do not have complex centers. We also study the relation between complex centers and the Pugh problem. An algorithm is described to solve the Pugh problem for equations without complex centers. The method of proof involves phase plane analysis of the polar equations and a local study of periodic solutions.

Complexing of lanthanides with adenosine-5'-triphosphate

International Nuclear Information System (INIS)

Svetlova, I.E.; Smirnova, N.S.; Dobrynina, N.A.; Martynenko, L.I.; Evseev, A.M.

1988-01-01

REE complexing with adenozine-5-triphosphoric acid in aqueous solutions at 25 deg C is studied by the method of pH metric titration using mathematical simulation. Ranges of existence are found, the composition is determined, stability constants of complexes of different composition are calculated

The need for simulation in complex industrial systems

Directory of Open Access Journals (Sweden)

Aboura Khalid

2012-10-01

Full Text Available We discuss the concept of simulation and its application in the resolution of problems in complex industrial systems. Most problems of serious scale, be it an inventory problem, a production and distribution problem, a management of resources or process improvement, all real world problems require a mix of generic, data algorithmic and Ad-hoc solutions making the best of available information. We describe two projects in which analytical solutions were applied or contemplated. The first case study uses linear programming in the optimal allocation of advertising resources by a major internet service provider. The second study, in a series of projects, analyses options for the expansion of the production and distribution network of mining products, as part of a sensitive strategic business review. Using the examples, we make the case for the need of simulation in complex industrial problems where analytical solutions may be attempted but where the size and complexity of the problem forces a Monte Carlo approach.

Photometric study of uranyl-terramycin complex

Energy Technology Data Exchange (ETDEWEB)

Sankara Reddy, P B [Government Coll., Cuddapah, Andhra Pradesh (India). Dept. of Chemistry; Reddy, A V.R.; Brahmaji Rao, S [SVU Autonomous Post-Graduate Centre, Anantapur (India). Dept. of Chemistry

1980-04-01

The spectrophotometric investigation of uranylterramycin complex in solution has been studied photometrically at pH 1.3. The composition of the complex is established by Job's and Slope ratio methods as 1:1. The stability constant calculated from the data obtained in Job's method is 1.9 x 10/sup 3/. Beer's law is obeyed.

A numerical solution to the radial equation of the tidal wave propagation

International Nuclear Information System (INIS)

Makarious, S.H.

1981-08-01

The tidal wave function y(x) is a solution to an inhomogeneous, linear, second-order differential equation with variable coefficient. Numerical values for the height-dependence terms, in the observed tides, have been utilized in finding y(x) as a solution to an initial-value problem. Complex Fast Fourier Transform technique is also used to obtain the solution in a complex form. Based on a realistic temperature structure, the atmosphere - below 110 km - has been divided into layers with distinct characteristics, and thus the technique of propagation in stratified media has been applied. The reduced homogeneous equation assumes the form of Helmholtz equation and with initial conditions the general solution is obtained. (author)

Activity coefficients of solutes in binary solvents

International Nuclear Information System (INIS)

Gokcen, N.A.

1982-01-01

The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities

Static and dynamic investigations of poly(aspartic acid) and Pluronic F127 complex prepared by self-assembling in aqueous solution

Science.gov (United States)

Nita, Loredana E.; Chiriac, Aurica P.; Bercea, Maria; Nistor, Manuela T.

2015-12-01

The present investigation is focused on evaluation of self-assembling ability in aqueous solutions of two water soluble polymers: poly(aspartic acid) (PAS) and Pluronic F127 (PL). The intermolecular complexes, realized between polyacid and neutral copolymer surfactant in different ratios, have been studied by combining various characterization techniques as rheology, DLS, spectroscopy, microscopy, chemical imaging, and zeta potential determination, measurements performed in static and/or dynamic conditions. In static conditions, when the equilibrium state between PAS/PL polymeric pair was reached, and depending on the polymers mixture composition, and of experimental rheological conditions, positive or negative deviations from the additive rule are registered. Conformational changes of the macromolecular chains and correspondingly physical interactions are generated between PL and PAS for self-assembly and the formation of interpolymer complex as suprastructure with micellar configuration. The phenomenon was better evidenced in case of 1/1 wt ratio between the two polymers. In dynamic conditions of determination, during ;in situ; evaluation of the hydrodynamic diameter, zeta potential and conductivity, when the equilibrium state is not reached and as result either the intermolecular bonds are not achieved, the self-assembling process is not so obvious evidenced.

Starch-lipid inclusion complexes for aerogel formation

Science.gov (United States)

Recently we reported that aqueous slurries of starch can be excess steam jet-cooked and blended with aqueous solutions of fatty acid salts to produce inclusion complexes between amylose and the fatty acid salt. These complexes can be simply prepared on large scale using commercially available steam ...

Dynamics of anion exchange of lanthanides in aqueous-organic complexing media

International Nuclear Information System (INIS)

Sheveleva, I.V.; Bogatyrev, I.O.

1987-01-01

Effect of organic solvents (ethanol, acetone, acetonitrile) on change in kinetic parameters of the anion exchange process (anion-exchange column chromatography) of r.e.e. (europium and gadolinium) in complexing nitric acid media has been studied. It is established that complex LnA 4 anion is the only sorbing form of europium and gadolinium on anionite. When the organic component content of the solution being the same, the dynamic parameters of lanthanide exchange have higher values in aqueous-acetonitrile and aqueous-acetone media in comparison with aqueous-enthanol solutions of nitric acid. Lesser mobility of complex lanthanide anions in aqueous-alcoholic solutions can be explained by stronger solvation in the presence of solvents with higher acceptor properties

Solution stabilities of some mixed ligand complexes of UO22+ and Th4+ with complexones and salicylic acids

International Nuclear Information System (INIS)

Singh, R.K.; Saxena, M.C.

1991-01-01

Formation constants (log Ksub(MAL)sup(MA)) of mixed ligands complexes (MAL), where M = UO 2 2+ or Th 4+ , A = IMDA, NTA, HEDTA, EDTA, CDTA or DTPA, L = salicylic acid (SA) or 5-sulphosalicylic acid (SSA), have been determined by pH titrations using Irving-Rossotti approach at 25 o C and at I =0.2 (mol dm -3 , KNO 3 ). The solution stabilities exhibit the sequence (i) Th 4+ >UO 2 2+ , (ii) IMDA>NTA>HEDTA>EDTA>CDTA>DTPA, and (iii) SA>SSA with respect to metal ions, primary ligands and secondary ligands, respectively. The formation constants log Ksub(ML)sup(M) and log Ksub(ML 2 )sup(ML) have also been determined. The Δlog K values have been found to be negative-increasing numerically with the negative charge on the deprotonated primary ligand (A n- ). (author). 17 refs., 1 tab

Nonlinear dynamics and complexity

CERN Document Server

Luo, Albert; Fu, Xilin

2014-01-01

This important collection presents recent advances in nonlinear dynamics including analytical solutions, chaos in Hamiltonian systems, time-delay, uncertainty, and bio-network dynamics. Nonlinear Dynamics and Complexity equips readers to appreciate this increasingly main-stream approach to understanding complex phenomena in nonlinear systems as they are examined in a broad array of disciplines. The book facilitates a better understanding of the mechanisms and phenomena in nonlinear dynamics and develops the corresponding mathematical theory to apply nonlinear design to practical engineering.

Interpolymer complexation: comparisons of bulk and interfacial structures.

Science.gov (United States)

Cattoz, Beatrice; de Vos, Wiebe M; Cosgrove, Terence; Crossman, Martin; Espidel, Youssef; Prescott, Stuart W

2015-04-14

The interactions between the strong polyelectrolyte sodium poly(styrenesulfonate), NaPSS, and the neutral polymer poly(vinylpyrrolidone), PVP, were investigated in bulk and at the silica/solution interface using a combination of diffusion nuclear magnetic resonance spectroscopy (NMR), small-angle neutron scattering (SANS), solvent relaxation NMR, and ellipsometry. We show for the first time that complex formation occurs between NaPSS and PVP in solution; the complexes formed were shown not to be influenced by pH variation, whereas increasing the ionic strength increases the complexation of NaPSS but does not influence the PVP directly. The complexes formed contained a large proportion of NaPSS. Study of these interactions at the silica interface demonstrated that complexes also form at the nanoparticle interface where PVP is added in the system prior to NaPSS. For a constant PVP concentration and varying NaPSS concentration, the system remains stable until NaPSS is added in excess, which leads to depletion flocculation. Surface complex formation using the layer-by-layer technique was also reported at a planar silica interface.

Optimisation-Based Solution Methods for Set Partitioning Models

DEFF Research Database (Denmark)

Rasmussen, Matias Sevel

The scheduling of crew, i.e. the construction of work schedules for crew members, is often not a trivial task, but a complex puzzle. The task is complicated by rules, restrictions, and preferences. Therefore, manual solutions as well as solutions from standard software packages are not always su......_cient with respect to solution quality and solution time. Enhancement of the overall solution quality as well as the solution time can be of vital importance to many organisations. The _elds of operations research and mathematical optimisation deal with mathematical modelling of di_cult scheduling problems (among...... other topics). The _elds also deal with the development of sophisticated solution methods for these mathematical models. This thesis describes the set partitioning model which has been widely used for modelling crew scheduling problems. Integer properties for the set partitioning model are shown...

Solutions without phase-slip for the Ginsburg-Landau equation

International Nuclear Information System (INIS)

Collet, P.; Eckmann, J.P.

1992-01-01

We consider the Ginsburg-Landau equation for a complex scalar field in one dimension and consider initial data which have two different stationary solutions as their limits in space as x→±∞. If these solutions are not very different, then we show that the initial data will evolve to a stationary solution by a 'phase melting' process which avoids 'phase slips,' i.e., which does not go through zero amplitude. (orig.)

Efficient traveltime solutions of the acoustic TI eikonal equation

KAUST Repository

Waheed, Umair bin

2015-02-01

Numerical solutions of the eikonal (Hamilton-Jacobi) equation for transversely isotropic (TI) media are essential for imaging and traveltime tomography applications. Such solutions, however, suffer from the inherent higher-order nonlinearity of the TI eikonal equation, which requires solving a quartic polynomial for every grid point. Analytical solutions of the quartic polynomial yield numerically unstable formulations. Thus, it requires a numerical root finding algorithm, adding significantly to the computational load. Using perturbation theory we approximate, in a first order discretized form, the TI eikonal equation with a series of simpler equations for the coefficients of a polynomial expansion of the eikonal solution, in terms of the anellipticity anisotropy parameter. Such perturbation, applied to the discretized form of the eikonal equation, does not impose any restrictions on the complexity of the perturbed parameter field. Therefore, it provides accurate traveltime solutions even for models with complex distribution of velocity and anisotropic anellipticity parameter, such as that for the complicated Marmousi model. The formulation allows for large cost reduction compared to using the direct TI eikonal solver. Furthermore, comparative tests with previously developed approximations illustrate remarkable gain in accuracy in the proposed algorithm, without any addition to the computational cost.

Exploration of spectroscopic properties of solvated tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III)red hybrid organic complex for solution processed OLEDs and displays

Energy Technology Data Exchange (ETDEWEB)

Chitnis, Dipti [Department of Physics, RTM Nagpur University, Nagpur 440033 (India); Thejokalyani, N., E-mail: thejokalyani@rediffmail.com [Department of Applied Physics, Laxminarayan Institute of Technology, Nagpur 440033 (India); Dhoble, S.J. [Department of Physics, RTM Nagpur University, Nagpur 440033 (India)

2017-05-15

In order to explore the spectroscopic properties of a novel europium activated hybrid organic tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III), Eu(TTA){sub 3}bipy phosphor in various solvents at different pH and molar concentrations, UV–vis optical absorption and photoluminescence spectra were carried out. With a variation in the solvent from basic (chloroform, toluene, tetrahydrofuran) to acidic (acetic acid, formic acid) media, staggering differences in optical absorptions and optical densities were noticed with hypsochromic shift in the absorption peaks. The optical density was found to be maximum for the complex with pH= 7.0 and the intensity as well as optical density gradually decreased when pH is lowered to 6.0 or raised to 8.0 (at an interval of 0.5), proving that the complex is pH sensitive. It's optical energy gap and stokes shift values in various organic solvents were also calculated on the basis of Lippert-Mataga plot. The exploration of spectroscopic properties of solvated Eu(TTA){sub 3}bipy complex demonstrates its prospective for solution processed OLEDs and display devices. - Graphical abstract: Pictorial depiction of photoluminescence in solvated Eu(TTA){sub 3}bipy complex under UV light.

Root finding in the complex plane for seismo-acoustic propagation scenarios with Green's function solutions.