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Sample records for binding constant ka

  1. Ionization Constants pKa of Cardiolipin

    OpenAIRE

    Olofsson, Gerd; Sparr, Emma

    2013-01-01

    Cardiolipin is a phospholipid found in the inner mitochondrial membrane and in bacteria, and it is associated with many physiological functions. Cardiolipin has a dimeric structure consisting of two phosphatidyl residues connected by a glycerol bridge and four acyl chains, and therefore it can carry two negative charges. The pKa values of the phosphate groups have previously been reported to differ widely with pKa1 = 2.8 and pKa2 = 7.5-9.5. Still, there are several examples of experimental ob...

  2. Ionization constants pKa of cardiolipin.

    Directory of Open Access Journals (Sweden)

    Gerd Olofsson

    Full Text Available Cardiolipin is a phospholipid found in the inner mitochondrial membrane and in bacteria, and it is associated with many physiological functions. Cardiolipin has a dimeric structure consisting of two phosphatidyl residues connected by a glycerol bridge and four acyl chains, and therefore it can carry two negative charges. The pKa values of the phosphate groups have previously been reported to differ widely with pKa1 = 2.8 and pKa2 = 7.5-9.5. Still, there are several examples of experimental observations from cardiolipin-containing systems that do not fit with this dissociation behavior. Therefore, we have carried out pH-titration and titration calorimetric experiments on two synthetic cardiolipins, 1,1',2,2'-tetradecanoyl cardiolipin, CL (C14:0, and 1,1',2,2'-tetraoctadecenoyl cardiolipin, CL (C18:1. Our results show that both behave as strong dibasic acids with pKa1 about the same as the first pKa of phosphoric acid, 2.15, and pKa2 about one unit larger. The characterization of the acidic properties of cardiolipin is crucial for the understanding of the molecular organization in self-assembled systems that contain cardiolipin, and for their biological function.

  3. Ionization constants pKa of cardiolipin.

    Science.gov (United States)

    Olofsson, Gerd; Sparr, Emma

    2013-01-01

    Cardiolipin is a phospholipid found in the inner mitochondrial membrane and in bacteria, and it is associated with many physiological functions. Cardiolipin has a dimeric structure consisting of two phosphatidyl residues connected by a glycerol bridge and four acyl chains, and therefore it can carry two negative charges. The pKa values of the phosphate groups have previously been reported to differ widely with pKa1 = 2.8 and pKa2 = 7.5-9.5. Still, there are several examples of experimental observations from cardiolipin-containing systems that do not fit with this dissociation behavior. Therefore, we have carried out pH-titration and titration calorimetric experiments on two synthetic cardiolipins, 1,1',2,2'-tetradecanoyl cardiolipin, CL (C14:0), and 1,1',2,2'-tetraoctadecenoyl cardiolipin, CL (C18:1). Our results show that both behave as strong dibasic acids with pKa1 about the same as the first pKa of phosphoric acid, 2.15, and pKa2 about one unit larger. The characterization of the acidic properties of cardiolipin is crucial for the understanding of the molecular organization in self-assembled systems that contain cardiolipin, and for their biological function.

  4. Thermodynamic binding constants for gallium transferrin

    Energy Technology Data Exchange (ETDEWEB)

    Harris, W.R.; Pecoraro, V.L.

    1983-01-18

    Gallium-67 is widely used as an imaging agent for tumors and inflammatory abscesses. It is well stablished that Ga/sup 3 +/ travels through the circulatory system bound to the serum iron transport protein transferrin and that this protein binding is an essential step in tumor localization. However, there have been conflicting reports on the magnitude of the gallium-transferrin binding constants. Therefore, thermodynamic binding constants for gallium complexation at the two specific metal binding sites of human serum transferrin at pH 7.4 and 5 mM NaHCO/sub 3/ have been determined by UV difference spectroscopy. The conditional constants calculated for 27 mM NaHCO/sub 3/ are log K/sub 1/* = 20.3 and log K/sub 2/* = 19.3. These results are discussed in relation to the thermodynamics of transferrin binding of Fe/sup 3 +/ and to previous reports on gallium binding. The strength of transferrin complexation is also compared to that of a series of low molecular weight ligands by using calculated pM values (pM = -log (Ga(H/sub 2/O)/sub 6/)) to express the effective binding strength at pH 7.4.

  5. Potentiometric determination of acid dissociation constants (pKa) for human and veterinary antibiotics.

    Science.gov (United States)

    Qiang, Zhimin; Adams, Craig

    2004-07-01

    This work determined the acid dissociation constants (pKa) of 26 common human and veterinary antibiotics by potentiometric titration. Selected antibiotics consisted of sulfonamides, macrolides, tetracyclines, fluoroquinolones, and other miscellaneous antibiotics. After validation of analysis methods using phosphoric acid as a model compound, a second-derivative (delta2pH/deltaV2) method was primarily applied to determining pKa's from titration curves for most antibiotics due to its convenience and accuracy. For tetracyclines, however, a least-square non-linear regression method was developed to determine their pKa's because the second-derivative method cannot well distinguish the pKa,2 and pKa,3 of tetracyclines. Results indicate that the pKa values are approximately 2 and 5-7.5 for sulfonamides; 7.5-9 for macrolides; 3-4, 7-8 and 9-10 for tetracyclines; 3-4, 6, 7.5-9 and 10-11 for fluoroquinolones; while compound-specific for other miscellaneous antibiotics. The moieties corresponding to specific pKa's were identified based on chemical structures of antibiotics. In addition, the pKa's available in literature determined by various techniques are compiled in comparison with the values of this work. These results are expected to essentially facilitate the research on occurrence, fate and effects, analysis methods development, and control of antibiotics in various treatment operations.

  6. Rate Constants and Mechanisms of Protein-Ligand Binding.

    Science.gov (United States)

    Pang, Xiaodong; Zhou, Huan-Xiang

    2017-05-22

    Whereas protein-ligand binding affinities have long-established prominence, binding rate constants and binding mechanisms have gained increasing attention in recent years. Both new computational methods and new experimental techniques have been developed to characterize the latter properties. It is now realized that binding mechanisms, like binding rate constants, can and should be quantitatively determined. In this review, we summarize studies and synthesize ideas on several topics in the hope of providing a coherent picture of and physical insight into binding kinetics. The topics include microscopic formulation of the kinetic problem and its reduction to simple rate equations; computation of binding rate constants; quantitative determination of binding mechanisms; and elucidation of physical factors that control binding rate constants and mechanisms.

  7. Prediction and dissection of widely-varying association rate constants of actin-binding proteins.

    Science.gov (United States)

    Pang, Xiaodong; Zhou, Kenneth H; Qin, Sanbo; Zhou, Huan-Xiang

    2012-01-01

    Actin is an abundant protein that constitutes a main component of the eukaryotic cytoskeleton. Its polymerization and depolymerization are regulated by a variety of actin-binding proteins. Their functions range from nucleation of actin polymerization to sequestering G-actin in 1∶1 complexes. The kinetics of forming these complexes, with rate constants varying at least three orders of magnitude, is critical to the distinct regulatory functions. Previously we have developed a transient-complex theory for computing protein association mechanisms and association rate constants. The transient complex refers to an intermediate in which the two associating proteins have near-native separation and relative orientation but have yet to form short-range specific interactions of the native complex. The association rate constant is predicted as k(a) = k(a0) e(-ΔG(el*)/k(B)T), where k(a0) is the basal rate constant for reaching the transient complex by free diffusion, and the Boltzmann factor captures the bias of long-range electrostatic interactions. Here we applied the transient-complex theory to study the association kinetics of seven actin-binding proteins with G-actin. These proteins exhibit three classes of association mechanisms, due to their different molecular shapes and flexibility. The 1000-fold k(a) variations among them can mostly be attributed to disparate electrostatic contributions. The basal rate constants also showed variations, resulting from the different shapes and sizes of the interfaces formed by the seven actin-binding proteins with G-actin. This study demonstrates the various ways that actin-binding proteins use physical properties to tune their association mechanisms and rate constants to suit distinct regulatory functions.

  8. pKa determination of histidine residues in α-conotoxin MII peptides by 1H NMR and constant pH molecular dynamics simulation.

    Science.gov (United States)

    McDougal, Owen M; Granum, David M; Swartz, Mark; Rohleder, Conrad; Maupin, C Mark

    2013-03-07

    α-Conotoxin MII (α-CTxMII) is a potent and selective peptide antagonist of neuronal nicotinic acetylcholine receptors (nAChR's). Studies have shown that His9 and His12 are significant determinants of toxin binding affinity for nAChR, while Glu11 may dictate differential toxin affinity between nAChR isoforms. The protonation state of these histidine residues and therefore the charge on the α-CTx may contribute to the observed differences in binding affinity and selectivity. In this study, we assess the pH dependence of the protonation state of His9 and His12 by (1)H NMR spectroscopy and constant pH molecular dynamics (CpHMD) in α-CTxMII, α-CTxMII[E11A], and the triple mutant, α-CTxMII[N5R:E11A:H12K]. The E11A mutation does not significantly perturb the pKa of His9 or His12, while N5R:E11A:H12K results in a significant decrease in the pKa value of His9. The pKa values predicted by CpHMD simulations are in good agreement with (1)H NMR spectroscopy, with a mean absolute deviation from experiment of 0.3 pKa units. These results support the use of CpHMD as an efficient and inexpensive predictive tool to determine pKa values and structural features of small peptides critical to their function.

  9. Determining Partition Coefficient (Log P), Distribution Coefficient (Log D) and Ionization Constant (pKa) in Early Drug Discovery.

    Science.gov (United States)

    Bharate, Sonali S; Kumar, Vikas; Vishwakarma, Ram A

    2016-01-01

    An early prediction of physicochemical properties is highly desirable during drug discovery to find out a viable lead candidate. Although there are several methods available to determine partition coefficient (log P), distribution coefficient (log D) and ionization constant (pKa), none of them involves simple and fixed, miniaturized protocols for diverse set of compounds. Therefore, it is necessary to establish simple, uniform and medium-throughput protocols requiring small sample quantities for the determination of these physicochemical properties. Log P and log D were determined by shake flask method, wherein, the compound was partitioned between presaturated noctanol and water phase (water/PBS pH 7.4) and the concentration of compound in each phase was determined by HPLC. The pKa determination made use of UV spectrophotometric analysis in a 96-well microtiter plate containing a series of aqueous buffers ranging from pH 1.0 to 13.0. The medium-throughput miniaturized protocols described herein, for determination of log P, log D and pKa, are straightforward to set up and require very small quantities of sample (< 5 mg for all three properties). All established protocols were validated using diverse set of compounds.

  10. Determination of pKa constants of hypericin in aqueous solution of the anti-allergic hydrotropic drug Cromolyn disodium salt

    Science.gov (United States)

    Keša, Peter; Antalík, Marián

    2017-05-01

    In this work we established three from altogether six proton dissociation constants (pKa) of hydroxyl groups of hypericin in its monomeric form. The monomeric state of hypericin (5.0 × 10-6 mol·L-1) in aqueous solution was stabilised by the presence of hydrotropic drug Cromolyn disodium salt (6.0 × 10-2 mol·L-1). Data show that one acid-base transition occurs with the pKa of 7.8 and the other two are characterised by the apparent single pKa of 11.5. The spectral changes of hypericin above pH 13 indicate that the last two hydroxyls are deporotonized at this high pH values.

  11. Simultaneous Determination of Binding Constants for Multiple Carbohydrate Hosts in Complex Mixtures

    DEFF Research Database (Denmark)

    Meier, Sebastian; Beeren, Sophie

    2014-01-01

    We describe a simple method for the simultaneous determination of association constants for a guest binding to seven different hosts in a mixture of more than 20 different oligosaccharides. If the binding parameters are known for one component in the mixture, a single NMR titration suffices...

  12. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry's Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds.

    Science.gov (United States)

    Hilal, S H; Saravanaraj, A N; Carreira, L A

    2014-02-01

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry's Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aqueous pKa values, relative pKa values in the gas phase, and aqueous HLC for neutral compounds have been used to develop monopole interaction models that quantify the energy differences upon moving an ionic solute molecule from the gas phase to the liquid phase. Inter-molecular interaction energies were factored into mechanistic contributions of monopoles with polarizability, dipole, H-bonding, and resonance. The monopole ionic models were validated by a wide range of measured gas phase pKa data for 450 acidic compounds. The RMS deviation error and R(2) for the OH, SH, CO2 H, CH3 and NR2 acidic reaction centers (C) were 16.9 kcal/mol and 0.87, respectively. The calculated HLCs of ions were compared to the HLCs of 142 ions calculated by quantum mechanics. Effects of inter-molecular interaction of the monopoles with polarizability, dipole, H-bonding, and resonance on acidity of the solutes in the gas phase are discussed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Antibody binding constants from Farr test and other radioimmunoassays. A theoretical and experimental analysis

    International Nuclear Information System (INIS)

    Engel, J.; Schalch, W.

    1980-01-01

    For the reaction of monovalently reacting antibody (116-700pIEF) with its antigen (streptococcal group A-variant polysaccharide), an apparent binding constant Ksub(a) was derived by the ammonium sulfate precipitation technique (Farr assay) which was 40 times larger than the true binding constant K = 10 6 M -1 determined by fluorescence titration and equilibrium dialysis. For monovalently reacting antibodies the time needed for re-equilibration of the binding reaction is short as compared to the time of ammonium sulfate incubation. A thermodynamic analysis was therefore performed for the case of complete equilibration of all components in solution and in the ammonium sulfate precipitate. It was found that in this limiting case Ksub(a)/K is equal to the ratio of the solubilities of the antibody and the antibody complex corrected by the activity coefficients of the components in the precipitate. For other antibody-antigen reactions in which the antibody reacts with both binding sites to the same antigen molecule, re-equilibration of the binding reaction in solution is much slower. For such systems a disturbance of the binding reaction by the precipitation is less likely and correct binding constants may be obtained by the Farr technique or other radioimmunoassays involving precipitation. (author)

  14. Binding constants of Southern rice black-streaked dwarf virus Coat Protein with ferulic acid derivatives

    Directory of Open Access Journals (Sweden)

    Longlu Ran

    2018-04-01

    Full Text Available The data present binding constants between ferulic acid derivatives and the Coat Protein (P10 by fluorescence titration in this article, which is hosted in the research article entitled “Interaction Research on an Antiviral Molecule that Targets the Coat Protein of Southern rice black-streaked dwarf virus’’ (Ran et al., 2017 [1]. The data include fluorescence quenching spectrum, Stern–Volmer quenching constants, and binding parameters. In this article, a more comprehensive data interpretation and analysis is explained.

  15. New insights on the spectrophotometric determination of melatonin pKa values and melatonin-βCD inclusion complex formation constant

    Science.gov (United States)

    Zafra-Roldán, A.; Corona-Avendaño, S.; Montes-Sánchez, R.; Palomar-Pardavé, M.; Romero-Romo, M.; Ramírez-Silva, M. T.

    2018-02-01

    Using UV-Vis spectrophotometry a stability study of melatonin at different pH values was done in aqueous media, finding that at acidic pH melatonin is unstable when interacting with the environment, however it becomes stable protecting it from light and oxygen. From the UV-Vis spectra and SQUAD software, melatonin pKa values, in a completely protected aqueous medium, were estimated as 5.777 ± 0.011 and 10.201 ± 0.024. Using the same techniques, the melatonin and β-cyclodextrin inclusion complex formation constants were assessed at pH 3, 7 and 11.5, giving the values of log β = (3.07 ± 0.06), (2.94 ± 0.01) and (3.07 ± 0.06) M- 1, respectively. From the global acidity formation constants and the complexes' formation constants, the molar fractions were determined for each species of MT and MT - βCD, to build the molar fraction-[βCD]-pH 3D diagram and the molar fraction-pH 2D diagrams, where it was possible to observe the predominance of the MT species with and without βCD. A voltammetric study at pH 3, allowed obtaining a value of log β = (3.15 ± 0.01) M- 1, which corroborates that obtained through UV-Vis spectrophotometry, supporting strongly the rationale behind using simple, straightforward techniques.

  16. Palmitate and stearate binding to human serum albumin. Determination of relative binding constants

    DEFF Research Database (Denmark)

    Vorum, H; Fisker, K; Honoré, B

    1997-01-01

    Multiple binding equilibria of two apparently insoluble ligands, palmitate and stearate, to defatted human serum albumin were studied in a 66 mM sodium phosphate buffer (pH 7.4) at 37 degrees C, by determination of dialytic exchange rates of ligands among identical equilibrium solutions...

  17. Mathematical model for determining the binding constants between immunoglobulins, bivalent ligands, and monovalent ligands.

    Science.gov (United States)

    Mack, Eric T; Cummings, Linda; Perez-Castillejos, Raquel

    2011-02-01

    This paper analyzes the equilibria between immunoglobulins (R(2)), homo-bifunctional ligands (L(2)), monovalent ligands (I), and their complexes. We present a mathematical model that can be used to estimate the concentration of each species present in a mixture of R(2), L(2), and I, given the initial conditions defining the total concentration of R(2), L(2), I, and four dissociation constants (K(d)(inter), K(d)(intra), K(d)(mono), and α). This model is based on fewer assumptions than previous models and can be used to describe exactly a broad range of experimental conditions. A series of curves illustrates the dependence of the equilibria upon the total concentrations of receptors and ligands, and the dissociation constants. We provide a set of guidelines for the design and analysis of experiments with a focus on estimating the binding constants from experimental binding isotherms. Two analytical equations relate the conditions for maximum aggregation in this system to the binding constants. This model is a tool to quantify the binding of immunoglobulins to antigens and a guide to understanding and predicting the experimental data of assays and techniques that employ immunoglobulins.

  18. Interactions of poly(amidoamine) dendrimers with human serum albumin: binding constants and mechanisms.

    Science.gov (United States)

    Giri, Jyotsnendu; Diallo, Mamadou S; Simpson, André J; Liu, Yi; Goddard, William A; Kumar, Rajeev; Woods, Gwen C

    2011-05-24

    The interactions of nanomaterials with plasma proteins have a significant impact on their in vivo transport and fate in biological fluids. This article discusses the binding of human serum albumin (HSA) to poly(amidoamine) [PAMAM] dendrimers. We use protein-coated silica particles to measure the HSA binding constants (K(b)) of a homologous series of 19 PAMAM dendrimers in aqueous solutions at physiological pH (7.4) as a function of dendrimer generation, terminal group, and core chemistry. To gain insight into the mechanisms of HSA binding to PAMAM dendrimers, we combined (1)H NMR, saturation transfer difference (STD) NMR, and NMR diffusion ordered spectroscopy (DOSY) of dendrimer-HSA complexes with atomistic molecular dynamics (MD) simulations of dendrimer conformation in aqueous solutions. The binding measurements show that the HSA binding constants (K(b)) of PAMAM dendrimers depend on dendrimer size and terminal group chemistry. The NMR (1)H and DOSY experiments indicate that the interactions between HSA and PAMAM dendrimers are relatively weak. The (1)H NMR STD experiments and MD simulations suggest that the inner shell protons of the dendrimers groups interact more strongly with HSA proteins. These interactions, which are consistently observed for different dendrimer generations (G0-NH(2)vs G4-NH(2)) and terminal groups (G4-NH(2)vs G4-OH with amidoethanol groups), suggest that PAMAM dendrimers adopt backfolded configurations as they form weak complexes with HSA proteins in aqueous solutions at physiological pH (7.4).

  19. Iron hexacyanide/cytochrome-C - intramolecular electron transfer and binding constants - (pulse radiolytic study). Progress report

    International Nuclear Information System (INIS)

    Ilan, Y.; Shafferman, A.

    Internal oxidation and reduction rates of horse cytochrome-c in the complexes, CII.Fe/sup III/(CN) -3 6 and CIII.Fe/sup II/(CN) -4 6 , are 4.6.10 4 s -1 and 3.3.10 2 s -1 , respectively. The binding sites of the iron hexacyanide ions on either CII or CIII are kinetically almost indistinguishable; binding constants range from 0.87.10 3 to 2.10 3 M -1 . The present pulse radiolytic kinetic data are compared with that from N.M.R, T-jump and equilibrium dialysis studies

  20. Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

    Science.gov (United States)

    Montalvo-Acosta, Joel José; Cecchini, Marco

    2016-12-01

    The physiological role played by protein-ligand recognition has motivated the development of several computational approaches to the ligand binding affinity. Some of them, termed rigorous, have a strong theoretical foundation but involve too much computation to be generally useful. Some others alleviate the computational burden by introducing strong approximations and/or empirical calibrations, which also limit their general use. Most importantly, there is no straightforward correlation between the predictive power and the level of approximation introduced. Here, we present a general framework for the quantitative interpretation of protein-ligand binding based on statistical mechanics. Within this framework, we re-derive self-consistently the fundamental equations of some popular approaches to the binding constant and pinpoint the inherent approximations. Our analysis represents a first step towards the development of variants with optimum accuracy/efficiency ratio for each stage of the drug discovery pipeline. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Calculation of elastic constants of BCC transition metals: tight-binding recursion method

    International Nuclear Information System (INIS)

    Masuda, K.; Hamada, N.; Terakura, K.

    1984-01-01

    The elastic constants of BCC transition metals (Fe, Nb, Mo and W) are calculated by using the tight-binding d band and the Born-Mayer repulsive potential. Introducing a small distortion characteristic to C 44 (or C') elastic deformation and calculating the energy change up to second order in the atomic displacement, the shear elastic constants C 44 and C' are determined. The elastic constants C 11 and C 12 are then calculated by using the relations B=1/3(C 11 + 2C 12 ) and C'=1/2(C 11 -C 12 ), where B is the bulk modulus. In general, the agreement between the present results and the experimental values is satisfactory. The characteristic elasticity behaviour, i.e. the strong Nsub(d) (number of d electrons) dependence of the observed anisotropy factor A=C 44 /C', will also be discussed. (author)

  2. Determining the binding mode and binding affinity constant of tyrosine kinase inhibitor PD153035 to DNA using optical tweezers

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Chih-Ming [School of Dental Technology, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu 30043, Taiwan (China); Lee, Yuarn-Jang [Section of Infectious Diseases, Department of Internal Medicine, Taipei Medical University Hospital, Taipei 110, Taiwan (China); Wang, Wei-Ting [School of Dental Technology, Taipei Medical University, Taipei 110, Taiwan (China); Institute of Biomedical Materials and Engineering, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Hsu, Chien-Ting [Institute of Biomedical Materials and Engineering, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Tsai, Jing-Shin [School of Dental Technology, Taipei Medical University, Taipei 110, Taiwan (China); Institute of Biomedical Materials and Engineering, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Wu, Chien-Ming [Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu 30043, Taiwan (China); Ou, Keng-Liang [Institute of Biomedical Materials and Engineering, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); and others

    2011-01-07

    Research highlights: {yields} PD153035 is a DNA intercalator and intercalation occurs only under very low salt concentration. {yields} The minimum distance between adjacent bound PD153035 {approx} 11 bp. {yields} Binding affinity constant for PD153035 is 1.18({+-}0.09) x 10{sup 4} (1/M). {yields} The change of binding free energy of PD153035-DNA interaction is -5.49 kcal mol{sup -1} at 23 {+-} 0.5 {sup o}C. -- Abstract: Accurately predicting binding affinity constant (K{sub A}) is highly required to determine the binding energetics of the driving forces in drug-DNA interactions. Recently, PD153035, brominated anilinoquinazoline, has been reported to be not only a highly selective inhibitor of epidermal growth factor receptor but also a DNA intercalator. Here, we use a dual-trap optical tweezers to determining K{sub A} for PD153035, where K{sub A} is determined from the changes in B-form contour length (L) of PD153035-DNA complex. Here, L is fitted using a modified wormlike chain model. We found that a noticeable increment in L in 1 mM sodium cacodylate was exhibited. Furthermore, our results showed that K{sub A} = 1.18({+-}0.09) x 10{sup 4} (1/M) at 23 {+-} 0.5 {sup o}C and the minimum distance between adjacent bound PD153035 {approx} 11 bp. We anticipate that by using this approach we can determine the complete thermodynamic profiles due to the presence of DNA intercalators.

  3. Signatures of van der Waals binding: A coupling-constant scaling analysis

    Science.gov (United States)

    Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

    2018-02-01

    The van der Waals (vdW) density functional (vdW-DF) method [Rep. Prog. Phys. 78, 066501 (2015), 10.1088/0034-4885/78/6/066501] describes dispersion or vdW binding by tracking the effects of an electrodynamic coupling among pairs of electrons and their associated exchange-correlation holes. This is done in a nonlocal-correlation energy term Ecnl, which permits density functional theory calculation in the Kohn-Sham scheme. However, to map the nature of vdW forces in a fully interacting materials system, it is necessary to also account for associated kinetic-correlation energy effects. Here, we present a coupling-constant scaling analysis, which permits us to compute the kinetic-correlation energy Tcnl that is specific to the vdW-DF account of nonlocal correlations. We thus provide a more complete spatially resolved analysis of the electrodynamical-coupling nature of nonlocal-correlation binding, including vdW attraction, in both covalently and noncovalently bonded systems. We find that kinetic-correlation energy effects play a significant role in the account of vdW or dispersion interactions among molecules. Furthermore, our mapping shows that the total nonlocal-correlation binding is concentrated to pockets in the sparse electron distribution located between the material fragments.

  4. Analysis of (3H) Kainic acid binding with rat and Frog brain membranes

    International Nuclear Information System (INIS)

    Zharkovskii, A.M.; Zharkovskaya, T.A.

    1985-01-01

    This paper analyzes the binding of (H 3)-KA with membrances in vitro and the effect of various neuroactive amino acids, suggested as endogenous ligands for binding sites of (H 3)-KA, on binding. Experiments were carried out on male albino rats and on winter frogs. Choice of the frog's brain was determined by the high density of high-affinity binding sites of (H 3)-KA. The concentrations of substances inhibiting binding (H 3)-KA by 50% were calculated by logit-probit analysis, and inhibition constants were also calculated. It is shown that although L-glutamate and folic acid inhibit binding of (H 3)-KA, they do not satisfy the criteria to be met by endogenous ligands, and this inhibition of binding is noncompetitive in character. This suggests that KA binding sites and glutamate receptors are not identical, although they may perhaps be subunits of a single complex

  5. Binding Constant of Amines to Water/AOT/n-Hexene Reverse Micelles. Influence of the Chemical Structure

    Directory of Open Access Journals (Sweden)

    J. J. Silber

    2000-03-01

    Full Text Available The distribution of different amines between n-hexane bulk and the micellar pseudophase of AOT reverse micelles were measured by a fluorometric method. An independent method was used to corroborate the incorporation of the amines to the interface. The effect of the amine structure on the binding constant was analysed.

  6. Estimation of apparent binding constant of complexes of selected acyclic nucleoside phosphonates with beta-cyclodextrin by affinity capillary electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Šolínová, Veronika; Mikysková, Hana; Kaiser, Martin Maxmilian; Janeba, Zlatko; Holý, Antonín; Kašička, Václav

    2016-01-01

    Roč. 37, č. 2 (2016), s. 239-247 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA13-17224S; GA ČR(CZ) GA15-01948S Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * affinity capillary electrophoresis * binding constant * nucleotide analogs * beta-cyclodextrin Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.744, year: 2016

  7. Binding constants of membrane-anchored receptors and ligands: A general theory corroborated by Monte Carlo simulations.

    Science.gov (United States)

    Xu, Guang-Kui; Hu, Jinglei; Lipowsky, Reinhard; Weikl, Thomas R

    2015-12-28

    Adhesion processes of biological membranes that enclose cells and cellular organelles are essential for immune responses, tissue formation, and signaling. These processes depend sensitively on the binding constant K2D of the membrane-anchored receptor and ligand proteins that mediate adhesion, which is difficult to measure in the "two-dimensional" (2D) membrane environment of the proteins. An important problem therefore is to relate K2D to the binding constant K3D of soluble variants of the receptors and ligands that lack the membrane anchors and are free to diffuse in three dimensions (3D). In this article, we present a general theory for the binding constants K2D and K3D of rather stiff proteins whose main degrees of freedom are translation and rotation, along membranes and around anchor points "in 2D," or unconstrained "in 3D." The theory generalizes previous results by describing how K2D depends both on the average separation and thermal nanoscale roughness of the apposing membranes, and on the length and anchoring flexibility of the receptors and ligands. Our theoretical results for the ratio K2D/K3D of the binding constants agree with detailed results from Monte Carlo simulations without any data fitting, which indicates that the theory captures the essential features of the "dimensionality reduction" due to membrane anchoring. In our Monte Carlo simulations, we consider a novel coarse-grained model of biomembrane adhesion in which the membranes are represented as discretized elastic surfaces, and the receptors and ligands as anchored molecules that diffuse continuously along the membranes and rotate at their anchor points.

  8. Measurement of Nanomolar Dissociation Constants by Titration Calorimetry and Thermal Shift Assay – Radicicol Binding to Hsp90 and Ethoxzolamide Binding to CAII

    Directory of Open Access Journals (Sweden)

    Vilma Michailovienė

    2009-06-01

    Full Text Available The analysis of tight protein-ligand binding reactions by isothermal titration calorimetry (ITC and thermal shift assay (TSA is presented. The binding of radicicol to the N-terminal domain of human heat shock protein 90 (Hsp90aN and the binding of ethoxzolamide to human carbonic anhydrase (hCAII were too strong to be measured accurately by direct ITC titration and therefore were measured by displacement ITC and by observing the temperature-denaturation transitions of ligand-free and ligand-bound protein. Stabilization of both proteins by their ligands was profound, increasing the melting temperature by more than 10 ºC, depending on ligand concentration. Analysis of the melting temperature dependence on the protein and ligand concentrations yielded dissociation constants equal to 1 nM and 2 nM for Hsp90aN-radicicol and hCAII-ethoxzolamide, respectively. The ligand-free and ligand-bound protein fractions melt separately, and two melting transitions are observed. This phenomenon is especially pronounced when the ligand concentration is equal to about half the protein concentration. The analysis compares ITC and TSA data, accounts for two transitions and yields the ligand binding constant and the parameters of protein stability, including the Gibbs free energy and the enthalpy of unfolding.

  9. Constant domains influence binding of mouse–human chimeric antibodies to the capsular polypeptide of Bacillus anthracis

    Science.gov (United States)

    Hubbard, Mark A; Thorkildson, Peter; Kozel, Thomas R; AuCoin, David P

    2013-01-01

    Our laboratory previously described the binding characteristics of the murine IgG3 monoclonal antibody (MuAb) F26G3. This antibody binds the poly-glutamic acid capsule (PGA) of Bacillus anthracis, an essential virulence factor in the progression of anthrax. F26G3 IgG3 MuAb binds PGA with a relatively high functional affinity (10 nM), produces a distinct “rim” quellung reaction, and is protective in a murine model of pulmonary anthrax. This study engineered an IgG subclass family of F26G3 mouse–human chimeric antibodies (ChAb). The F26G3 ChAbs displayed 9- to 20-fold decreases in functional affinity, as compared with the parent IgG3 MuAb. Additionally, the quellung reactions that were produced by the ChAbs all differed from the parent IgG3 MuAb in that they appeared “puffy” in nature. This study demonstrates that human constant domains may influence multiple facets of antibody binding to microbial capsular antigens despite their spatial separation from the traditional antigen-binding site. PMID:23863605

  10. Constant domains influence binding of mouse-human chimeric antibodies to the capsular polypeptide of Bacillus anthracis.

    Science.gov (United States)

    Hubbard, Mark A; Thorkildson, Peter; Kozel, Thomas R; AuCoin, David P

    2013-08-15

    Our laboratory previously described the binding characteristics of the murine IgG3 monoclonal antibody (MuAb) F26G3. This antibody binds the poly-glutamic acid capsule (PGA) of Bacillus anthracis, an essential virulence factor in the progression of anthrax. F26G3 IgG3 MuAb binds PGA with a relatively high functional affinity (10 nM), produces a distinct "rim" quellung reaction, and is protective in a murine model of pulmonary anthrax. This study engineered an IgG subclass family of F26G3 mouse-human chimeric antibodies (ChAb). The F26G3 ChAbs displayed 9- to 20-fold decreases in functional affinity, as compared with the parent IgG3 MuAb. Additionally, the quellung reactions that were produced by the ChAbs all differed from the parent IgG3 MuAb in that they appeared "puffy" in nature. This study demonstrates that human constant domains may influence multiple facets of antibody binding to microbial capsular antigens despite their spatial separation from the traditional antigen-binding site.

  11. Improved estimation of receptor density and binding rate constants using a single tracer injection and displacement

    International Nuclear Information System (INIS)

    Syrota, A.; Delforge, J.; Mazoyer, B.M.

    1988-01-01

    The possibility of improving receptor model parameter estimation using a displacement experiment in which an excess of an unlabeled ligand (J) is injected after a delay (t D ) following injection of trace amounts of the β + - labeled ligand (J*) is investigated. The effects of varying t D and J/J* on parameter uncertainties are studied in the case of 11 C-MQNB binding to myocardial acetycholine receptor using parameters identified in a dog experiment

  12. SP-A binds alpha1-antitrypsin in vitro and reduces the association rate constant for neutrophil elastase

    Directory of Open Access Journals (Sweden)

    Carrabino Natalia

    2005-12-01

    Full Text Available Abstract Background α1-antitrypsin and surfactant protein-A (SP-A are major lung defense proteins. With the hypothesis that SP-A could bind α1-antitrypsin, we designed a series of in vitro experiments aimed at investigating the nature and consequences of such an interaction. Methods and results At an α1-antitrypsin:SP-A molar ratio of 1:1, the interaction resulted in a calcium-dependent decrease of 84.6% in the association rate constant of α1-antitrypsin for neutrophil elastase. The findings were similar when SP-A was coupled with the Z variant of α1-antitrypsin. The carbohydrate recognition domain of SP-A appeared to be a major determinant of the interaction, by recognizing α1-antitrypsin carbohydrate chains. However, binding of SP-A carbohydrate chains to the α1-antitrypsin amino acid backbone and interaction between carbohydrates of both proteins are also possible. Gel filtration chromatography and turnover per inactivation experiments indicated that one part of SP-A binds several molar parts of α1-antitrypsin. Conclusion We conclude that the binding of SP-A to α1-antitrypsin results in a decrease of the inhibition of neutrophil elastase. This interaction could have potential implications in the physiologic regulation of α1-antitrypsin activity, in the pathogenesis of pulmonary emphysema, and in the defense against infectious agents.

  13. Simple and rapid quantification of serotonin transporter binding using [11C]DASB bolus plus constant infusion.

    Science.gov (United States)

    Gryglewski, G; Rischka, L; Philippe, C; Hahn, A; James, G M; Klebermass, E; Hienert, M; Silberbauer, L; Vanicek, T; Kautzky, A; Berroterán-Infante, N; Nics, L; Traub-Weidinger, T; Mitterhauser, M; Wadsak, W; Hacker, M; Kasper, S; Lanzenberger, R

    2017-04-01

    In-vivo quantification of serotonin transporters (SERT) in human brain has been a mainstay of molecular imaging in the field of neuropsychiatric disorders and helped to explore the underpinnings of several medical conditions, therapeutic and environmental influences. The emergence of PET/MR hybrid systems and the heterogeneity of SERT binding call for the development of efficient methods making the investigation of larger or vulnerable populations with limited scanner time and simultaneous changes in molecular and functional measures possible. We propose [ 11 C]DASB bolus plus constant infusion for these applications and validate it against standard analyses of dynamic PET data. [ 11 C]DASB bolus/infusion optimization was performed on data acquired after [ 11 C]DASB bolus in 8 healthy subjects. Subsequently, 16 subjects underwent one scan using [ 11 C]DASB bolus plus constant infusion with K bol 160-179min and one scan after [ 11 C]DASB bolus for inter-method reliability analysis. Arterial blood sampling and metabolite analysis were performed for all scans. Distribution volumes (V T ) were obtained using Logan plots for bolus scans and ratios between tissue and plasma parent activity for bolus plus infusion scans for different time spans of the scan (V T-70 for 60-70min after start of tracer infusion, V T-90 for 75-90min, V T-120 for 100-120min) in 9 subjects. Omitting blood data, binding potentials (BP ND ) obtained using multilinear reference tissue modeling (MRTM2) and cerebellar gray matter as reference region were compared in 11 subjects. A K bol of 160min was observed to be optimal for rapid equilibration in thalamus and striatum. V T-70 showed good intraclass correlation coefficients (ICCs) of 0.61-0.70 for thalamus, striatal regions and olfactory cortex with bias ≤5.1% compared to bolus scans. ICCs increased to 0.72-0.78 for V T-90 and 0.77-0.93 for V T-120 in these regions. BP ND-90 had negligible bias ≤2.5%, low variability ≤7.9% and ICCs of 0

  14. Comparative study of binding constants from Love wave surface acoustic wave and surface plasmon resonance biosensors using kinetic analysis.

    Science.gov (United States)

    Lee, Sangdae; Kim, Yong-Il; Kim, Ki-Bok

    2013-11-01

    Biosensors are used in a variety of fields for early diagnosis of diseases, measurement of toxic contaminants, quick detection of pathogens, and separation of specific proteins or DNA. In this study, we fabricated and evaluated the capability of a high sensitivity Love wave surface acoustic wave (SAW) biosensor. The experimental setup was composed of the fabricated 155-MHz Love wave SAW biosensor, a signal measurement system, a liquid flow system, and a temperature-control system. Subsequently, we measured the lower limit of detection (LOD) of the 155-MHz Love wave SAW biosensor, and calculated the association and dissociation constants between protein G and anti-mouse IgG using kinetic analysis. We compared these results with those obtained using a commercial surface plasmon resonance (SPR) biosensor. We found that the LOD of the SAW biosensor for anti-mouse IgG and mouse IgG was 0.5 and 1 microg/ml, respectively, and the resultant equilibrium association and dissociation constants were similar to the corresponding values obtaining using the commercial SPR biosensor. Thus, we conclude that the fabricated 155-MHz Love wave SAW biosensor exhibited the high sensitivity of the commercial SPR biosensor and was able to analyze the binding properties of the ligand and receptor by kinetic analysis similarly to the commercial SPR biosensor.

  15. Variation in DNA binding constants with a change in geometry of ternary copper(II) complexes with N2O donor Schiff base and cyanate or dicyanamide

    Science.gov (United States)

    Jana, Subrata; Santra, Ramesh Chandra; Das, Saurabh; Chattopadhyay, Shouvik

    2014-09-01

    Two new copper(II) complexes, [Cu(L)(OCN)] (1) and [CuL(dca)]n (2), where HL = 2-(-(2-(diethylamino)ethylimino)methyl)naphthalen-1-ol, dca = N(CN)2-, have been synthesized and characterized by elemental analysis, IR, UV-VIS spectroscopy and single crystal X-ray diffraction studies. Complex 1 has square planar and complex 2 square pyramidal geometries in solid state around metal centre. Interactions of the complexes with calf thymus DNA (CT DNA) were studied by UV-VIS spectroscopy. Binding constant and site size of interaction were determined. Binding site size and intrinsic binding constant K revealed complex 1 interacted with calf thymus DNA better than complex 2.

  16. Effect of halo-substituted aromatic salts on counterion binding constants obtained from cationic nanoparticle catalyzed reactions of piperidine and phenyl salicylate

    Science.gov (United States)

    Fagge, Ibrahim I.; Yusof, Nor Saadah M.; Zain, Sharifuddin Md; Khan, M. Niyaz

    2017-12-01

    Halo-substitutions at 3-position of benzene ring of the salts of aromatic carboxylate, MX, revealed the effect of two different halide ions (Br- and Cl-) on the counterion binding constants obtained from cationic nanoparticle catalyzed piperidinolysis of ionized phenyl salicylate (PhS-). The values of observed rate constant, kobs, determined at a constant total concentration of cetyltrimethylammonium bromide, [CTABr]T, piperidine, ([P]T), [PhS-]T, NaOH, and various concentration of MX (MX = 3-BrC6H4CO2Na and 3-ClC6H4CO2Na), were determined using UV-visible X spectrophotometric technique at 35 °C and 370 nm. The average value of nanoparticle binding constant, KXBr, for X- = 3-BrC6H4CO2- (RXBr = 57) was found to be about 2-fold larger than that for X- = 3-ClC6H4CO2- (RXBr = 30). These XX values were dependent of substituents 3-Br and 3-Cl, and independent of [CTABr]T. Both are related to the presence of different extent of viscoelastic worm-like nanoparticles formation in the [CTABr]T of 6 and 10 mM.

  17. How does fatty acid influence anti-thyroid drugs binding and ...

    Indian Academy of Sciences (India)

    ... 2-thiouracil (TU), 6-methyl-2-thiouracil (MTU), 6--propyl-2-thiouracil (PTU) with a model plasma protein Human SerumAlbumin (HSA) in the presence and absence of fatty acid (FA). The drug-protein binding efficiency is characterized in terms of binding free energy and the association constant (Ka, which is estimated as ...

  18. A model of mitochondrial creatine kinase binding to membranes: adsorption constants, essential amino acids and the effect of ionic strength

    DEFF Research Database (Denmark)

    Fedosov, Sergey; Belousova, Lubov; Plesner, Igor

    1993-01-01

    of mitCK adsorption capacity by another method at pH 7.4, when the enzyme is almost protonated, gave View the MathML source. The effect of ionic strength on mitCK adsorption may be described in terms of Debye-Hückel's theory for activity coefficients assuming the charges of the interacting species......The quantitative aspects of mitochondrial creatinekinase (mitCK) binding to mitochondrial membranes were investigated. A simple adsorption and binding model was used for data fitting, taking into account the influence of protein concentration, pH, ionic strength and substrate concentration...... on the enzyme adsorption. An analysis of our own data as well as of the data from the literature is consistent with the adsorption site of the octameric mitCK being composed of 4 amino acid residues with pK = 8.8 in the free enzyme. The pK value changes to 9.8 upon binding of the protein to the membrane. Lysine...

  19. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry’s Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds

    Science.gov (United States)

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry’s Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aq...

  20. HypCal, a general-purpose computer program for the determination of standard reaction enthalpy and binding constant values by means of calorimetry.

    Science.gov (United States)

    Arena, Giuseppe; Gans, Peter; Sgarlata, Carmelo

    2016-09-01

    The program HypCal has been developed to provide a means for the simultaneous determination, from data obtained by isothermal titration calorimetry, of both standard enthalpy of reaction and binding constant values. The chemical system is defined in terms of species of given stoichiometry rather than in terms of binding models (e.g., independent or cooperative). The program does not impose any limits on the complexity of the chemical systems that can be treated, including competing ligand systems. Many titration curves may be treated simultaneously. HypCal can also be used as a simulation program when designing experiments. The use of the program is illustrated with data obtained with nicotinic acid (niacin, pyridine-3 carboxylic acid). Preliminary experiments were used to establish the rather different titration conditions for the two sets of titration curves that are needed to determine the parameters for protonation of the carboxylate and amine groups.

  1. Fast enantiomeric separation of uniconazole and diniconazole by electrokinetic chromatography using an anionic cyclodextrin: application to the determination of analyte-selector apparent binding constants for enantiomers.

    Science.gov (United States)

    Martín-Biosca, Y; García-Ruiz, C; Marina, M L

    2000-09-01

    The enantiomeric resolution of the fungicides uniconazole and diniconazole was performed using electrokinetic chromatography with cyclodextrins as pseudostationary phase (CD-EKC). A systematic evaluation of several chiral selectors was made. The anionic derivative carboxymethylated-gamma-cyclodextrin (CM-gamma-CD) was found to be the most appropriate for the enantioseparation of fungicides among all cyclodextrins tested. The influence of some experimental conditions such as nature and buffer pH, chiral selector concentration, and temperature on the enantiomeric separation of the compounds studied was also investigated. The use of a 50 mM phosphate buffer (pH 6.5) containing 5 mM CM-gamma-CD and a temperature of 50 degrees C enabled the baseline enantioresolution of mixtures of uniconazole and diniconazole in less than 5 min. In addition, apparent binding constants for each enantiomer-CM-gamma-CD pair at several temperatures, as well as thermodynamic parameters for binding were calculated.

  2. Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments.

    Science.gov (United States)

    Linkuvienė, Vaida; Krainer, Georg; Chen, Wen-Yih; Matulis, Daumantas

    2016-12-15

    Isothermal titration calorimetry (ITC) is one of the most robust label- and immobilization-free techniques used to measure protein - small molecule interactions in drug design for the simultaneous determination of the binding affinity (ΔG) and the enthalpy (ΔH), both of which are important parameters for structure-thermodynamics correlations. It is important to evaluate the precision of the method and of various ITC instrument models by performing a single well-characterized reaction. The binding between carbonic anhydrase II and acetazolamide was measured by four ITC instruments - PEAQ-ITC, iTC200, VP-ITC, and MCS-ITC and the standard deviation of ΔG and ΔH was determined. Furthermore, the limit of an approach to reduce the protein concentration was studied for a high-affinity reaction (K d  = 0.3 nM), too tight to be measured by direct (non-displacement) ITC. Chemical validation of the enthalpy measurements is discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. Stability constants for silicate adsorbed to ferrihydrite

    DEFF Research Database (Denmark)

    Hansen, Hans Christian Bruun; Wetche, T.P.; Raulund-Rasmussen, Karsten

    1994-01-01

    Intrinsic surface acidity constants (K(a1)intr, K(a2)intr) and surface complexation constant for adsorption of orthosilicate onto synthetic ferrihydrite (K(Si) for the complex = FeOSi(OH)3) have been determined from acid/base titrations in 0.001-0.1 m NaClO4 electrolytes and silicate adsorption...

  4. Kuulus dress ka Evelinile!

    Index Scriptorium Estoniae

    2009-01-01

    Proua Evelin Ilves kinkis Eestis esinenud popstaar Madonnale eesti rahvusmotiividega dressid. Sarnased spordirõivad tulevad müügile ka Tallinnas Viru keskuses Bastioni esinduskaupluses. Proua Evelin Ilvesele valmistatakse ainulaadsed valgest kangast dressid

  5. Assigning the pKa's of Polyprotic Acids.

    Science.gov (United States)

    Bodner, George M.

    1986-01-01

    Discusses (1) polyproptic acids for which the difference between K-a's is large; (2) the Henderson-Hasselbach equation; (3) polyprotic acids for which the difference between K-a's is small; (4) analysis of microscopic dissociation constants for cysteine; and (5) analysis of pK-a data. (JN)

  6. Proton and metal ion binding to natural organic polyelectrolytes-I. Studies with synthetic model compounds

    Science.gov (United States)

    Marinsky, J.A.; Reddy, M.M.

    1984-01-01

    A unified physico-chemical model, based on a modified Henderson-Hasselbalch equation, for the analysis of ion complexation reactions involving charged polymeric systems is presented and verified. In this model pH = pKa+p(??Ka) + log(??/1 - ??) where Ka is the intrinsic acid dissociation constant of the ionizable functional groups on the polymer, ??Ka is the deviation of the intrinsic constant due to electrostatic interaction between the hydrogen ion and the polyanion, and alpha (??) is the polyacid degree of ionization. Using this approach pKa values for repeating acidic units of polyacrylic (PAA) and polymethacrylic (PMA) acids were found to be 4.25 ?? 0.03 and 4.8 ?? 0.1, respectively. The polyion electrostatic deviation term derived from the potentiometric titration data (i.e. p(??Ka)) is used to calculate metal ion concentration at the complexation site on the surface of the polyanion. Intrinsic cobalt-polycarboxylate binding constants (7.5 for PAA and 5.6 for PMA), obtained using this procedure, are consistent with the range of published binding constants for cobalt-monomer carboxylate complexes. In two phase systems incorporation of a Donnan membrane potential term allows determination of the intrinsic pKa of a cross-linked PMA gel, pKa = 4.83, in excellent agreement with the value obtained for the linear polyelectrolyte and the monomer. Similarly, the intrinsic stability constant for cobalt ion binding to a PMA-gel (??CoPMA+ = 11) was found to be in agreement with the linear polyelectrolyte analogue and the published data for cobalt-carboxylate monodentate complexes. ?? 1984.

  7. The effect of dielectric constant on binding energy and impurity self-polarization in a GaAs-Ga1- x Al x As spherical quantum dot

    Science.gov (United States)

    Mese, A. I.; Cicek, E.; Erdogan, I.; Akankan, O.; Akbas, H.

    2017-03-01

    The ground state, 1s, and the excited state, 2p, energies of a hydrogenic impurity in a GaAs-Ga1- x Al x As spherical quantum dot, are computed as a function of the donor positions. We study how the impurity self-polarization depends on the location of the impurity and the dielectric constant. The excited state anomalous impurity self-polarization in the quantum dot is found to be present in the absence of any external influence and strongly depends on the impurity position and the radius of the dot. Therefore, the excited state anomalous impurity self-polarization can give information about the impurity position in the system. Also, the variation of E_{b1s} and E_{b2p} with the dielectric constant can be utilized as a tool for finding out the correct dielectric constant of the dot material by measuring the 1s or 2p state binding energy for a fixed dot radius and a fixed impurity position.

  8. Direct binding of radioiodinated monoclonal antibody to tumor cells: significance of antibody purity and affinity for drug targeting or tumor imaging

    International Nuclear Information System (INIS)

    Kennel, S.J.; Foote, L.J.; Lankford, P.K.; Johnson, M.; Mitchell, T.; Braslawsky, G.R.

    1983-01-01

    For MoAb to be used efficiently for drug targeting and tumor imaging, the fraction of antibody binding to tumor cells must be maximized. The authors have studied the binding of 125 I MoAb in three different tumor systems. The fraction of antibody that could be bound to the cell surface was directly proportional to the antibody purity. The affinity constant also limits the fraction of antibody that can bind to cells at a given antigen concentration. Rearrangement of the standard expression for univalent equilibrium binding between two reactants shows that in antigen excess, the maximum fraction of antibody that can bind =Ka[Ag total]/1 + Ka[Ag total]. Binding data using four different MoAb with three cell systems confirm this relationship. Estimates for reasonable concentrations of tumor antigens in vivo indicate that antibodies with binding constants less than 10 8 M -1 are not likely to be useful for drug targeting or tumor imaging

  9. Determination of the pKa value of phenolphthalein by means of absorbance measurements

    OpenAIRE

    Alonso, Manuel; Chapela, Sebastián P.; Cristaldo, María L.; Nievas, Inés; Burgos Oliver Gamondi, Hilda I.; Stella, Carlos Alberto

    2017-01-01

    We here report a laboratory protocol for the determination of the pKa value of an acid by means of determinations obtained with a spectrophotometer. Students determine the acidity constant (Ka) and the pKa associated with phenolphthalein from the absorbance values obtained from phenolphthalein solutions at different pHs. The present protocol for the determination of the pKa takes a very short time and is useful when teaching in conditions with limited equipment. Fil: Alonso, Manuel. Univer...

  10. Simultaneous quantitation of 5- and 7-hydroxyflavone antioxidants and their binding constants with BSA using dual chiral capillary electrophoresis (dCCE) and HPLC with fluorescent detection.

    Science.gov (United States)

    Abo Markeb, Ahmad; Abo El-Maali, Nagwa

    2014-02-01

    In this article we present two novel uses of the sensitive techniques HPLC fluorescence and dCCE for both the quantitation and binding studies of the 5- and 7-HFs extracted from the plant Alfalfa with Albumin. Ultrasonic extraction method as an extra energy source is used to enhance the extraction efficiency and speed up. The two antioxidants could be easily separated and quantified after a 10.0-min run time. Multiple calibration curves for their analysis exhibited consistent linearity and reproducibility in the range of 0.20-2.00 mg L(-1) for 5-HF (r >0.9979) and 0.01-0.10 mg L(-1) for 7-HF (r >0.9999). Limits of Detection were 0.500 µg L(-1) and 0.025 µg L(-1) for 5-HF and 7-HF respectively. Lower Limits of Quantification were 131.600 µg L(-1) for 5-HF and 6.579 µg L(-1) for 7-HF. Inter-assay imprecision was <10% for both flavones. Mean recovery was 104.76% (range 90%-110%) for 5-HF and 93.18% (range 90%-110%) for 7-HF. Since the intermolecular hydrogen atom transfer in the excited triplet state as well as in the excited singlet state might play an important role in the quenching process of photo-excited molecules in biological systems, the binding constants of these HFs with serum albumin have been also estimated to be 1.910 - 2.019 × 10(5) L mol(-1) and 2.390 - 2.500 × 10(5) L mol(-1) for 5-HF and 7-HF respectively. © 2013 Elsevier B.V. All rights reserved.

  11. Study of isomeric pentacyclic triterpene acids in traditional Chinese medicine of Forsythiae Fructus and their binding constants with β-cyclodextrin by capillary electrophoresis.

    Science.gov (United States)

    Ren, Tingjun; Xu, Zhongqi

    2018-01-05

    In this study, a capillary zone electrophoresis (CZE) method was first developed to identify three microconstituents of isomeric pentacyclic triterpene acids (PTAs including oleanolic acid (OA), ursolic acid (UA) and betulinic acid (BA)) in Forsythiae Fructus (FF). The baseline separation of PTAs by CZE were eventually achieved in a background electrolyte (BGE) containing 50.0 mmol/L borax and 0.5 mmol/L β-cyclodextrin (β-CD) at pH 9.5 within 13.0 min. Herein, it was not only the compositions of BGE were detail investigated for rapid and good separation, but also the binding ratio and the equilibrium constants (K) for OA, UA and BA with β-CD was estimated by double reciprocal equation to well understand the separation mechanism. The proposed method allowed the LODs of PTAs were averaged at 1.50 μg/mL with UV detection (at 200 nm). The interday RSD of migration time and peak area were around 2.0 and 4.7% (n = 5), respectively. Thus, the content of PTAs in 19 FF real samples distinguished from maturation stages and geographical areas in China was quantified with the proposed method. Depending on the amount of each PTA in FF, it was demonstrated these microconstituents might benefit to identify their harvested time even qualities. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Interactions of unconjugated bilirubin with vesicles, cyclodextrins and micelles: New modeling and the role of high pKa values

    Directory of Open Access Journals (Sweden)

    Ostrow J Donald

    2010-03-01

    Full Text Available Abstract Background Unconjugated bilirubin (UCB is an unstable substance with very low aqueous solubility. Its aqueous pKa values affect many of its interactions, particularly their pH-dependence. A companion paper shows that only our prior solvent partition studies, leading to pKa values of 8.12 and 8.44, met all essential requirements for valid pKa determinations. Other published values, generally lower, some below 5.0, were shown to be invalid. The present work was designed to derive suitable models for interpreting published data on the pH-dependent binding of UCB with four agents, mentioned below, chosen because they are not, themselves, sensitive to changes in the pH range 4-10, and the data, mainly spectrometric, were of reasonable quality. Results These analyses indicated that the high pKa values, dianion dimerization constant and solubilities of UCB at various pH values, derived from our partition studies, along with literature-derived pH- and time-dependent supersaturation effects, were essential for constructing useful models that showed good qualitative, and sometimes quantitative, fits with the data. In contrast, published pKa values below 5.0 were highly incompatible with the data for all systems considered. The primary species of bound UCB in our models were: undissociated diacid for phosphatidylcholine, dianion for dodecyl maltoside micelles and cyclodextrins, and both monoanions and dianion for sodium taurocholate. The resulting binding versus pH profiles differed strikingly from each other. Conclusions The insights derived from these analyses should be helpful to explore and interpret UCB binding to more complex, pH-sensitive, physiological moieties, such as proteins or membranes, in order to understand its functions.

  13. Integrating a Smartphone and Molecular Modeling for Determining the Binding Constant and Stoichiometry Ratio of the Iron(II)-Phenanthroline Complex: An Activity for Analytical and Physical Chemistry Laboratories

    Science.gov (United States)

    de Morais, Camilo de L. M.; Silva, Se´rgio R. B.; Vieira, Davi S.; Lima, Ka´ssio M. G.

    2016-01-01

    The binding constant and stoichiometry ratio for the formation of iron(II)-(1,10-phenanthroline) or iron(II)-o-phenanthroline complexes has been determined by a combination of a low-cost analytical method using a smartphone and a molecular modeling method as a laboratory experiment designed for analytical and physical chemistry courses. Intensity…

  14. Potentiometric pKa Determination of Piroxicam and Tenoxicam in Acetonitrile-Water Binary Mixtures

    OpenAIRE

    Çubuk Demiralay, Ebru; Yılmaz, Hülya

    2012-01-01

    Abstract: Ionization constant (pKa) is one among the parameter to be estimated with accuracy, irrespective of solubility constraints. In the present study, acid-base behaviour of the piroxicam and tenoxicam was studied. By using the potentiometric method, pKa values of piroxicam and tenoxicam have been determined in different percentage of acetonitrile-water binary mixtures (acetonitrile content between 30 and 45% in volume). Aqueous pKa values of these compounds were calculated by mole fract...

  15. Nuclear constants

    International Nuclear Information System (INIS)

    Foos, J.

    1999-01-01

    This paper is written in two tables. The first one describes the different particles (bosons and fermions). The second one gives the isotopes nuclear constants of the different elements, for Z = 1 to 56. (A.L.B.)

  16. Nuclear constants

    International Nuclear Information System (INIS)

    Foos, J.

    2000-01-01

    This paper is written in two tables. The first one describes the different particles (bosons and fermions). The second one gives the isotopes nuclear constants of the different elements, for Z = 56 to 68. (A.L.B.)

  17. Nuclear constants

    International Nuclear Information System (INIS)

    Foos, J.

    1998-01-01

    This paper is made of two tables. The first table describes the different particles (bosons and fermions) while the second one gives the nuclear constants of isotopes from the different elements with Z = 1 to 25. (J.S.)

  18. Nuclear constants

    International Nuclear Information System (INIS)

    Foos, J.

    1999-01-01

    This paper is written in two tables. The first one describes the different particles (bosons and fermions). The second one gives the isotopes nuclear constants of the different elements, for Z = 56 to 68. (A.L.B.)

  19. Study on the binding mode of zinc(II) protoporphyrin and ctDNA in water

    Science.gov (United States)

    Tong, Ai-jun; Tong, Chun-yuan; Yang, Qing-yi

    2003-11-01

    Spectroscopic property of a commercially available luminescent reagent Zinc(II) protoporphyrin (ZnPP) was studied. Dissociation constants of the two protons on the peripheral groups of porphyrin ring of ZnPP were determined as p Ka1=6.31, p Ka2=9.37. Binding evidence of ZnPP with ctDNA was found by the phosphorescence intensity change on a filter paper around pH 6.5-9.3 with the association constant being 9.1×10 3 dm 3/mol. A novel binding mode for ZnPP and calf thymus DNA (ctDNA) suggested that the monomer ZnPP which has no axial coordination, slips into the groove of DNA and interacts with the bases of polynucleotide by zinc coordination and hydrogen bonding between H atom on carboxyl group of ZnPP and O atom on the bases.

  20. Measurement of the Dissociation-Equilibrium Constants for Low Affinity Antibiotic Binding Interaction with Bacterial Ribosomes by the T2 (CPMG) and Line-Broadening Methods

    Science.gov (United States)

    Verdier, L.; Gharbi-Benarous, J.; Bertho, G.; Mauvais, P.; Girault, J.-P.

    1999-10-01

    In this study the dissociation constants of the low antibiotic-ribosomes interaction were determined by the T2 (CPMG), the Carr-Purcell-Meiboom-Gill spin-echo decay rate and the line-broadening methods. Three MLSB antibiotics were studied, a macrolide roxithromycin, a ketolide HMR 3647 and a lincosamide clindamycin for their weak interaction with three bacterial ribosomes, E. coli, Staphylococcus aureus sensitive and resistant to erythromycin. Nous avons mesuré la constante de dissociation, Kd correspondant à l'interaction faible antibiotique-ribosome bactérien pour des antibiotiques de différentes classes, un macrolide (roxithromycine), un kétolide (HMR 3647) et une lincosamide (clindamycine) avec des ribosomes de différentes souches bactériennes (E. coli, Staphylococcus aureus sensible ou résistant à l'erythromycin) par deux méthodes : l'une basée sur la variation des largeurs de raies et l'autre sur les temps de relaxation transversaux T2 en utilisant une séquence CPMG.

  1. Prunskiene tahab lepet ka Keskerakonnaga

    Index Scriptorium Estoniae

    2011-01-01

    Leedu Rahvaerakonna (LLP) juht Kazimira Prunskeine käis Moskvas Ühtse Venemaa kongressil ning allkirjastas leppe oma erakonna ja Ühtse Venemaa vahel, samasuguse leppe kavatseb ta allkirjastada ka Eesti Keskerakonnaga, Kasahstanis võimul oleva Nur Otani partei ja Kreeka erakonnaga Uus Demokraatia

  2. On the development of protein pKa calculation algorithms

    Science.gov (United States)

    Carstensen, Tommy; Farrell, Damien; Huang, Yong; Baker, Nathan A.; Nielsen, Jens Erik

    2011-01-01

    Protein pKa calculation methods are developed partly to provide fast non-experimental estimates of the ionization constants of protein side chains. However, the most significant reason for developing such methods is that a good pKa calculation method is presumed to provide an accurate physical model of protein electrostatics, which can be applied in methods for drug design, protein design and other structure-based energy calculation methods. We explore the validity of this presumption by simulating the development of a pKa calculation method using artificial experimental data derived from a human-defined physical reality. We examine the ability of an RMSD-guided development protocol to retrieve the correct (artificial) physical reality and find that a rugged optimization landscape and a huge parameter space prevent the identification of the correct physical reality. We examine the importance of the training set in developing pKa calculation methods and investigate the effect of experimental noise on our ability to identify the correct physical reality, and find that both effects have a significant and detrimental impact on the physical reality of the optimal model identified. Our findings are of relevance to all structure-based methods for protein energy calculations and simulation, and have large implications for all types of current pKa calculation methods. Our analysis furthermore suggests that careful and extensive validation on many types of experimental data can go some way in making current models more realistic. PMID:21744393

  3. Determination and stability constants of Manganese (II) amino acid ...

    African Journals Online (AJOL)

    Determination and stability constants of Manganese (II) amino acid complexes. HN Aliyu, J Na'aliya. Abstract. The stepwise and the overall stability constants of the complexes formed by manganese (II) ion and twelve (12) amino acids have been determined. The dissociation constants, pKa, of the amino acids determined ...

  4. Cosmological constant as integration constant

    Science.gov (United States)

    Treder, H.-J.

    1994-08-01

    Einstein's field theory of elementary particles (Einstein 1919) yields black holes with a mass M approximately G-1 Lambda-1/2 c2 and a charge Q approximately G-1/2 Lambda-1/2 c2, their curvature radius is Lambda-1/2. Here Lambda is an integration constant of Einstein's 'trace-less' gravitation equations. The choice Lambda = G-1 h-1 c3 for this constant defines Planck ions and implies 'strong-gravity'. The choice Lambda = lambda = 3Hinf exp 2 c-2 (where Hinf means the Hubble parameter of a final de Sitter cosmos) involves 'weak-gravity' and describes an electro-vac spherical universe.

  5. Prediction of acid dissociation constants of organic compounds using group contribution methods

    DEFF Research Database (Denmark)

    Zhou, Teng; Jhamb, Spardha; Liang, Xiaodong

    2018-01-01

    In this paper, group contribution (GC) property models for the estimation of acid dissociation constants (Ka) of organic compounds are presented. Three GC models are developed to predict the negative logarithm of the acid dissociation constant pKa: (a) a linear GC model for amino acids using 180...... model, uncertainty estimates for the predicted pKa values are also provided. The model details, regressed parameters and application examples are highlighted....

  6. Challenges in pKa Predictions for Proteins: The case of Asp213 in Human Proteinase 3

    Science.gov (United States)

    Hajjar, Eric; Dejaegere, Annick; Reuter, Nathalie

    2009-09-01

    Knowledge of the protonation states of the ionizable residues in an enzyme is a prerequisite to an accurate description of its structure and mechanism. In practice, the use of the inappropriate protonation state for an amino acid in a molecular modeling computation (e.g., molecular dynamics simulation) is likely to lead to unrealistic results. Although methods using solvers of the linearized Poisson-Boltzmann equation have proven to yield accurate pKa predictions, they bear a number of limitations. They are quite demanding in terms of computational power and are sensitive to representation of the charges and their position (force field and protein conformation). Moreover they depend on the choice of a dielectric constant for the protein interior. In this manuscript, we describe the difficulties met when trying to predict the protonation state of a buried amino acid, located in a protein for which very little biochemical data is available. Such a case is highly representative of the challenges faced in theoretical biology studies. Proteinase 3 (PR3) is an enzyme involved in proteolytic events associated with inflammation. It is a potential target in the development of new anti-inflammatory therapeutic strategies. We report the results of pKa predictions of the aspartic acid 213 of PR3 with a FDPB solver. We probed the influence of the choice of the dielectric constant for the protein interior ɛp and the benefits of conformational sampling by molecular dynamics (MD) on the pKa prediction of this carboxylate group. Using only the FDPB calculations, we could not conclude on the protonation state of Asp213. MD simulations confronted to knowledge of the ligand-binding and reaction mechanism led us to decide on a protonated form of this aspartic acid. We also demonstrate that the use of the wrong protonation state leads to an unreliable structural model for PR3. pKa prediction with a fast empirical method yielded a pKa of 8.4 for Asp213, which is in agreement with our

  7. Review: Bilirubin pKa studies; new models and theories indicate high pKa values in water, dimethylformamide and DMSO

    Directory of Open Access Journals (Sweden)

    Ostrow J

    2010-03-01

    Full Text Available Abstract Background Correct aqueous pKa values of unconjugated bilirubin (UCB, a poorly-soluble, unstable substance, are essential for understanding its functions. Our prior solvent partition studies, of unlabeled and [14C] UCB, indicated pKa values above 8.0. These high values were attributed to effects of internal H-bonding in UCB. Many earlier and subsequent studies have reported lower pKa values, some even below 5.0, which are often used to describe the behavior of UCB. We here review 18 published studies that assessed aqueous pKa values of UCB, critically evaluating their methodologies in relation to essential preconditions for valid pKa measurements (short-duration experiments with purified UCB below saturation and accounting for self-association of UCB. Results These re-assessments identified major deficiencies that invalidate the results of all but our partition studies. New theoretical modeling of UCB titrations shows remarkable, unexpected effects of self-association, yielding falsely low pKa estimates, and provides some rationalization of the titration anomalies. The titration behavior reported for a soluble thioether conjugate of UCB at high aqueous concentrations is shown to be highly anomalous. Theoretical re-interpretations of data in DMSO and dimethylformamide show that those indirectly-derived aqueous pKa values are unacceptable, and indicate new, high average pKa values for UCB in non-aqueous media (>11 in DMSO and, probably, >10 in dimethylformamide. Conclusions No reliable aqueous pKa values of UCB are available for comparison with our partition-derived results. A companion paper shows that only the high pKa values can explain the pH-dependence of UCB binding to phospholipids, cyclodextrins, and alkyl-glycoside and bile salt micelles.

  8. Stability constants for silicate adsorbed to ferrihydrite

    DEFF Research Database (Denmark)

    Hansen, Hans Christian Bruun; Wetche, T.P.; Raulund-Rasmussen, Karsten

    1994-01-01

    Intrinsic surface acidity constants (K(a1)intr, K(a2)intr) and surface complexation constant for adsorption of orthosilicate onto synthetic ferrihydrite (K(Si) for the complex = FeOSi(OH)3) have been determined from acid/base titrations in 0.001-0.1 m NaClO4 electrolytes and silicate adsorption...... experiments in 0.01 m NaNO3 electrolyte (pH 3-6). The surface equilibrium constants were calculated according to the two-layer model by Dzombak & Morel (1990). Near equilibrium between protons/hydroxyls in solution and the ferrihydrite surface was obtained within minutes while equilibration with silicate...

  9. pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.

    Science.gov (United States)

    Wang, Lin; Li, Lin; Alexov, Emil

    2015-12-01

    We developed a Poisson-Boltzmann based approach to calculate the pKa values of protein ionizable residues (Glu, Asp, His, Lys and Arg), nucleotides of RNA and single stranded DNA. Two novel features were utilized: the dielectric properties of the macromolecules and water phase were modeled via the smooth Gaussian-based dielectric function in DelPhi and the corresponding electrostatic energies were calculated without defining the molecular surface. We tested the algorithm by calculating pKa values for more than 300 residues from 32 proteins from the PPD dataset and achieved an overall RMSD of 0.77. Particularly, the RMSD of 0.55 was achieved for surface residues, while the RMSD of 1.1 for buried residues. The approach was also found capable of capturing the large pKa shifts of various single point mutations in staphylococcal nuclease (SNase) from pKa-cooperative dataset, resulting in an overall RMSD of 1.6 for this set of pKa's. Investigations showed that predictions for most of buried mutant residues of SNase could be improved by using higher dielectric constant values. Furthermore, an option to generate different hydrogen positions also improves pKa predictions for buried carboxyl residues. Finally, the pKa calculations on two RNAs demonstrated the capability of this approach for other types of biomolecules. © 2015 Wiley Periodicals, Inc.

  10. 20180318 - Prediction Of pKa From Chemical Structure Using Free And Open-Source Tools (ACS Spring)

    Science.gov (United States)

    The ionization state of a chemical, reflected in pKa values, affects lipophilicity, solubility, protein binding and the ability of a chemical to cross the plasma membrane. These properties govern the pharmacokinetic parameters such as absorption, distribution, metabolism, excreti...

  11. Ka Band Parabolic Deployable Antenna (KaPDA) for Interplanetary CubeSat Communications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Ka Band Parabolic Deployable Antenna (KaPDA) for Interplanetary CubeSat Communications allowing moving up from UHF, S or X to get higher gain for a given diameter.

  12. Germline transcription and switch recombination of a transgene containing the entire H chain constant region locus: effect of a mutation in a STAT6 binding site in the gamma 1 promoter.

    Science.gov (United States)

    Dunnick, Wesley A; Shi, Jian; Graves, Kevin A; Collins, John T

    2004-11-01

    The switch (S) in H chain class is preceded by germline transcription and then mediated by a DNA recombination event. One of the impediments toward understanding the mechanism is the lack of a system in which a recombinant DNA molecule undergoes cytokine-regulated class S recombination. To study class S recombination, we used transgenic mice with a 230-kb bacterial artificial chromosome that included a rearranged VDJ gene and the entire murine H chain constant region locus. We found that both germline transcription and S recombination to the transgenic gamma1 H chain gene were regulated by IL-4 like that of the endogenous genes. In mice with two or more copies of the H chain locus transgene, both germline transcripts and S recombination took place at levels comparable to those from the endogenous loci. We also prepared a version of the transgene with a 4-bp mutation in a STAT6 binding site in the gamma1 promoter region. On the average, this mutation reduced germline transcription by 80%, but did not change the amount of S recombination in vitro. Among both the wild-type and mutant transgenes, we found no significant correlation between the amount of germline transcripts and the amount of S recombination. We infer that the physiologic level of germline transcription of the gamma1 gene is in excess over the amount required for efficient S recombination.

  13. Salt bridge exchange binding mechanism between streptavidin and its DNA aptamer--thermodynamics and spectroscopic evidences.

    Science.gov (United States)

    Kuo, Tai-Chih; Lee, Peng-Chen; Tsai, Ching-Wei; Chen, Wen-Yih

    2013-03-01

    Protein-nucleic acids binding driven by electrostatic interactions typically are characterized by the release of counter ions, and the salt-inhibited binding association constant (K(a)) and the magnitude of exothermic binding enthalpy (ΔH). Here, we report a non-classical thermodynamics of streptavidin (SA)-aptamer binding in NaCl (140-350 mM) solutions near room temperatures (23-27 °C). By using isothermal titration calorimetry (ITC) and circular dichroism (CD)/fluorescence spectroscopy, we found that the binding was enthalpy driven with a large entropy cost (ΔH -20.58 kcal mol(-1), TΔS -10.99 kcal mol(-1), and K(a) 1.08 × 10(7)  M(-1) at 140 mM NaCl 25 °C). With the raise of salt concentrations, the ΔH became more exothermic, yet the K(a) was almost unchanged (ΔH -26.29 kcal mol(-1) and K(a) 1.50 × 10(7)  M(-1) at 350 mM NaCl 25 °C). The data suggest that no counter Na(+) was released in the binding. Spectroscopy data suggest that the binding, with a stoichiometry of 2, was accompanied with substantial conformational changes on SA, and the changes were insensitive to the variation of salt concentrations. To account for the non-classical results, we propose a salt bridge exchange model. The intramolecular binding-site salt bridge(s) of the free SA and the charged phosphate group of aptamers re-organize to form the binding complex by forming a new intermolecular salt bridge(s). The salt bridge exchange binding process requires minimum amount of counter ions releasing but dehydration of the contacting surface of SA and the aptamer. The energy required for dehydration is reduced in the case of binding solution with higher salt concentration and account for the higher binding exothermic mainly. Copyright © 2013 John Wiley & Sons, Ltd.

  14. Predicting p Ka values from EEM atomic charges

    Science.gov (United States)

    2013-01-01

    The acid dissociation constant p Ka is a very important molecular property, and there is a strong interest in the development of reliable and fast methods for p Ka prediction. We have evaluated the p Ka prediction capabilities of QSPR models based on empirical atomic charges calculated by the Electronegativity Equalization Method (EEM). Specifically, we collected 18 EEM parameter sets created for 8 different quantum mechanical (QM) charge calculation schemes. Afterwards, we prepared a training set of 74 substituted phenols. Additionally, for each molecule we generated its dissociated form by removing the phenolic hydrogen. For all the molecules in the training set, we then calculated EEM charges using the 18 parameter sets, and the QM charges using the 8 above mentioned charge calculation schemes. For each type of QM and EEM charges, we created one QSPR model employing charges from the non-dissociated molecules (three descriptor QSPR models), and one QSPR model based on charges from both dissociated and non-dissociated molecules (QSPR models with five descriptors). Afterwards, we calculated the quality criteria and evaluated all the QSPR models obtained. We found that QSPR models employing the EEM charges proved as a good approach for the prediction of p Ka (63% of these models had R2 > 0.9, while the best had R2 = 0.924). As expected, QM QSPR models provided more accurate p Ka predictions than the EEM QSPR models but the differences were not significant. Furthermore, a big advantage of the EEM QSPR models is that their descriptors (i.e., EEM atomic charges) can be calculated markedly faster than the QM charge descriptors. Moreover, we found that the EEM QSPR models are not so strongly influenced by the selection of the charge calculation approach as the QM QSPR models. The robustness of the EEM QSPR models was subsequently confirmed by cross-validation. The applicability of EEM QSPR models for other chemical classes was illustrated by a case study focused on

  15. Development of Methods for the Determination of pKa Values

    Science.gov (United States)

    Reijenga, Jetse; van Hoof, Arno; van Loon, Antonie; Teunissen, Bram

    2013-01-01

    The acid dissociation constant (pKa) is among the most frequently used physicochemical parameters, and its determination is of interest to a wide range of research fields. We present a brief introduction on the conceptual development of pKa as a physical parameter and its relationship to the concept of the pH of a solution. This is followed by a general summary of the historical development and current state of the techniques of pKa determination and an attempt to develop insight into future developments. Fourteen methods of determining the acid dissociation constant are placed in context and are critically evaluated to make a fair comparison and to determine their applications in modern chemistry. Additionally, we have studied these techniques in light of present trends in science and technology and attempt to determine how these trends might affect future developments in the field. PMID:23997574

  16. Deployable Ka-Band Reflectarray, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Tyvak, in collaboration with UCLA, proposes a novel approach to the challenge of creating a large reflector for Ka-band high data rate links. We propose to attach...

  17. 4-N, 4-S & 4-O Chloroquine Analogues: Influence of Side Chain Length and Quinolyl Nitrogen pKa on Activity vs. Chloroquine Resistant Malaria+, #

    Science.gov (United States)

    Natarajan, Jayakumar K.; Alumasa, John; Yearick, Kimberly; Ekoue-Kovi, Kekeli A.; Casabianca, Leah B.; de Dios, Angel C.; Wolf, Christian; Roepe, Paul D.

    2009-01-01

    Using predictions from heme – quinoline antimalarial complex structures, previous modifications of chloroquine (CQ), and hypotheses for chloroquine resistance (CQR), we synthesize and assay CQ analogues that test structure – function principles. We vary side chain length for both monoethyl and diethyl 4N CQ derivatives. We alter the pKa of the quinolyl N by introducing alkylthio or alkoxy substituents into the 4 position, and vary side chain length for these analogues. We introduce an additional titratable amino group to the side chain of 4O analogues with promising CQR strain selectivity and increase activity while retaining selectivity. We solve atomic resolution structures for complexes formed between representative 4N, 4S and 4O derivatives vs. μ-oxo dimeric heme, measure binding constants for monomeric vs. dimeric heme, and quantify hemozoin (Hz) formation inhibition in vitro. The data provide additional insight for the design of CQ analogues with improved activity vs. CQR malaria. PMID:18512900

  18. Determination of pKa values of alendronate sodium in aqueous solution by piecewise linear regression based on acid-base potentiometric titration.

    Science.gov (United States)

    Ke, Jing; Dou, Hanfei; Zhang, Ximin; Uhagaze, Dushimabararezi Serge; Ding, Xiali; Dong, Yuming

    2016-12-01

    As a mono-sodium salt form of alendronic acid, alendronate sodium presents multi-level ionization for the dissociation of its four hydroxyl groups. The dissociation constants of alendronate sodium were determined in this work by studying the piecewise linear relationship between volume of titrant and pH value based on acid-base potentiometric titration reaction. The distribution curves of alendronate sodium were drawn according to the determined pKa values. There were 4 dissociation constants (pKa 1 =2.43, pKa 2 =7.55, pKa 3 =10.80, pKa 4 =11.99, respectively) of alendronate sodium, and 12 existing forms, of which 4 could be ignored, existing in different pH environments.

  19. Universal reaction mechanism of boronic acids with diols in aqueous solution: kinetics and the basic concept of a conditional formation constant.

    Science.gov (United States)

    Furikado, Yuki; Nagahata, Tomomi; Okamoto, Takuya; Sugaya, Tomoaki; Iwatsuki, Satoshi; Inamo, Masahiko; Takagi, Hideo D; Odani, Akira; Ishihara, Koji

    2014-10-06

    To establish a detailed reaction mechanism for the condensation between a boronic acid, RB(OH)2, and a diol, H2L, in aqueous solution, the acid dissociation constants (Ka(BL)) of boronic acid diol esters (HBLs) were determined based on the well-established concept of conditional formation constants of metal complexes. The pKa values of HBLs were 2.30, 2.77, and 2.00 for the reaction systems, 2,4-difluorophenylboronic acid and chromotropic acid, 3-nitrophenylboronic acid and alizarin red S, and phenylboronic acid and alizarin red S, respectively. A general and precise reaction mechanism of RB(OH)2 with H2L in aqueous solution, which can serve as a universal reaction mechanism for RB(OH)2 and H2L, was proposed on the basis of (a) the relative kinetic reactivities of the RB(OH)2 and its conjugate base, that is, the boronate ion, toward H2L, and (b) the determined pKa values of HBLs. The use of the conditional formation constant, K', based on the main reaction: RB(OH)2 + H2L (K1)⇌ RB(L)(OH)(-) + H3O(+) instead of the binding constant has been proposed for the general reaction of uncomplexed boronic acid species (B') with uncomplexed diol species (L') to form boronic acid diol complex species (esters, BL') in aqueous solution at pH 5-11: B' + L' (K')⇌ BL'. The proposed reaction mechanism explains perfectly the formation of boronic acid diol ester in aqueous solution. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  1. Jaapani edumetoodika ka Eestis / Merike Lees

    Index Scriptorium Estoniae

    Lees, Merike, 1976-

    2004-01-01

    Ilmunud ka: Delovõje Vedomosti 17. nov. lk. 28. Tootmissfääris kasutatavast Jaapani 20 võtme metoodikast loodab ettevõttele kasu saada lehtmetalli töötleva AS-i Favor Metaform nõukogu esimees Almar Proosi. Lisa: Mis on 20 võtit?

  2. Muukeelne elanikkond vajab ka ETVd / Ela Tomson

    Index Scriptorium Estoniae

    Tomson, Ela, 1945-

    2006-01-01

    Ilmunud ka: Postimees : na russkom jazõke 4. juuli lk. 7, Pjarnuskii Ekspress 7. juuli lk. 7. Autori arvates on riik jätnud Eestis elava muukeelse elanikkonna Venemaa telekanalite mõju alla. Ometi poleks see, kui varustada ETV tähtsamad saated venekeelsete subtiitritega, midagi rahamahukat ja kaelamurdvat

  3. Estimated pKa values for the environmentally relevant C1 through C8 perfluorinated sulfonic acid isomers.

    Science.gov (United States)

    Rayne, Sierra; Forest, Kaya

    2016-10-14

    In order to estimate isomer-specific acidity constants (pKa) for the perfluorinated sulfonic acid (PFSA) environmental contaminants, the parameterization method 6 (PM6) pKa prediction method was extensively validated against a wide range of carbon oxyacids and related sulfonic/sulfinic acids. Excellent pKa prediction performance was observed for the carbon oxyacids using the PM6 method, but this approach was found to have a severe positive bias for sulfonic/sulfinic acids. To overcome this obstacle, a correlation was developed between non-adjusted PM6 pKa values and the corresponding experimentally obtained/estimated acidity constants for a range of representative alkyl, aryl and halogen-substituted sulfonic acids. Application of this correction to the PM6 values allows for extension of this computational method to a new acid functional group. When used to estimate isomer-specific pKa values for the C1 through C8 PFSAs, the modified PM6 approach suggests an adjusted pKa range from -5.3 to -9.0, indicating that all members of this class of well-known environmental contaminants will be effectively completely dissociated in aquatic systems.

  4. Phenylbutazone and ketoprofen binding to serum albumin. Fluorescence study.

    Science.gov (United States)

    Maciążek-Jurczyk, Małgorzata

    2014-10-01

    A combination of phenylbutazone (PBZ) and ketoprofen (KP) is popular in therapy of rheumatoid arthritis (RA) but could be unsafe due to the uncontrolled growth of toxicity. Quenching fluorescence of serum albumin in the presence of the both drugs has been characterized by dynamic KQ [M(-1)], static V [M(-1)] quenching constants and also association constants Ka [M(-1)]. The quenching of tryptophanyl residues fluorescence by the KP and PBZ indicates the capability of these drugs to accept the energy from Trp-214 and Trp-135. Strong displacement of KP and PBZ bound to albumin cause by the binding of the second drug to SA close to Trp-214 (subdomain IIA) has been obtained. The displacement was also confirmed on the basis of quenching and association constants. The conclusion, that both PBZ and KP form a binding site in the same subdomains (IIA or/and IB), points to the necessity of using a monitoring therapy owning to the possible increase of the uncontrolled toxic effects. Copyright © 2014 Institute of Pharmacology, Polish Academy of Sciences. Published by Elsevier Urban & Partner Sp. z o.o. All rights reserved.

  5. Evidence for an Elevated Aspartate pKa in the Active Site of Human Aromatase*

    Science.gov (United States)

    Di Nardo, Giovanna; Breitner, Maximilian; Bandino, Andrea; Ghosh, Debashis; Jennings, Gareth K.; Hackett, John C.; Gilardi, Gianfranco

    2015-01-01

    Aromatase (CYP19A1), the enzyme that converts androgens to estrogens, is of significant mechanistic and therapeutic interest. Crystal structures and computational studies of this enzyme shed light on the critical role of Asp309 in substrate binding and catalysis. These studies predicted an elevated pKa for Asp309 and proposed that protonation of this residue was required for function. In this study, UV-visible absorption, circular dichroism, resonance Raman spectroscopy, and enzyme kinetics were used to study the impact of pH on aromatase structure and androstenedione binding. Spectroscopic studies demonstrate that androstenedione binding is pH-dependent, whereas, in contrast, the D309N mutant retains its ability to bind to androstenedione across the entire pH range studied. Neither pH nor mutation perturbed the secondary structure or heme environment. The origin of the observed pH dependence was further narrowed to the protonation equilibria of Asp309 with a parallel set of spectroscopic studies using exemestane and anastrozole. Because exemestane interacts with Asp309 based on its co-crystal structure with the enzyme, its binding is pH-dependent. Aromatase binding to anastrozole is pH-independent, consistent with the hypothesis that this ligand exploits a distinct set of interactions in the active site. In summary, we assign the apparent pKa of 8.2 observed for androstenedione binding to the side chain of Asp309. To our knowledge, this work represents the first experimental assignment of a pKa value to a residue in a cytochrome P450. This value is in agreement with theoretical calculations (7.7–8.1) despite the reliance of the computational methods on the conformational snapshots provided by crystal structures. PMID:25425647

  6. Theoretical Calculation of the NMR Spin-Spin Coupling Constants and the NMR Shifts Allow Distinguishability between the Specific Direct and the Water-Mediated Binding of a Divalent Metal Cation to Guanine

    Czech Academy of Sciences Publication Activity Database

    Sychrovský, Vladimír; Šponer, Jiří; Hobza, Pavel

    2004-01-01

    Roč. 126, č. 2 (2004), s. 663-672 ISSN 0002-7863 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : nuclear-magnetic-resonance * ion binding * base-pairs Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.903, year: 2004

  7. Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.

    Science.gov (United States)

    Goh, Garrett B; Hulbert, Benjamin S; Zhou, Huiqing; Brooks, Charles L

    2014-07-01

    pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMD(MSλD)). In the CPHMD(MSλD) framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMD(MSλD) simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMD(MSλD) framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules-proteins and nucleic acids is now possible. © 2013 Wiley Periodicals, Inc.

  8. Determination of the pKa value of the hydroxyl group in the alpha-hydroxycarboxylates citrate, malate and lactate by 13C NMR: implications for metal coordination in biological systems.

    Science.gov (United States)

    Silva, Andre M N; Kong, XiaoLe; Hider, Robert C

    2009-10-01

    Citric acid is an important metal chelator of biological relevance. Citric acid helps solubilizing metals, increasing their bioavailability for plants and microbes and it is also thought to be a constituent of both the extracellular and cytoplasmic low molecular iron pools occurring in plants and vertebrates. Metal coordination by citric acid involves coordination both by the carboxylate and hydroxyl groups, of particular interest is its alpha-hydroxycarboxylate function. This structural feature is highly conserved in siderophores produced by evolutionarily distant species and seems to confer specificity toward Fe(III) binding. In order to understand the mechanism of metal coordination by alpha-hydroxycarboxylates and correctly evaluate the respective complex stability constants, it is essential to improve the knowledge about the ionisation of the alcohol group in these compounds. We have evaluated the hydroxyl pKa value of citric, malic and lactic acids with the objective of understanding the influence of alpha-carbon substitution. Studies at high pH values, utilizing (13)C NMR, permitted estimation of the pKa values for the three acids. The pKa (alcohol) values (14.4 for citric acid, 14.5 for malic acid, and 15.1 for lactic acid) are considerably higher than the previously reported value for citric acid (11.6) but still lower than the value of 15.5 for methanol. A comparative analysis of the three compounds indicates that different substitutions on the alpha-carbon introduce changes to the inductive effect experienced by the hydroxyl group thereby modulating its ionisation behaviour. Comparison with the siderophore rhizoferrin, which pKa (alcohol) values were confirmed to be 10 and 11.3, suggests that intra-molecular hydrogen bonding may also aid in the hydroxyl ionisation by stabilizing the resulting anion. Studies of metal coordination by alpha-hydroxycarboxylates should take these factors into account.

  9. Evaluation of kinetic constants of biomolecular interaction on optical surface plasmon resonance sensor with Newton Iteration Method

    Science.gov (United States)

    Zhao, Yuanyuan; Jiang, Guoliang; Hu, Jiandong; Hu, Fengjiang; Wei, Jianguang; Shi, Liang

    2010-10-01

    In the immunology, there are two important types of biomolecular interaction: antigens-antibodies and receptors-ligands. Monitoring the response rate and affinity of biomolecular interaction can help analyze the protein function, drug discover, genomics and proteomics research. Moreover the association rate constant and dissociation rate constant of receptors-ligands are the important parameters for the study of signal transmission between cells. Recent advances in bioanalyzer instruments have greatly simplified the measurement of the kinetics of molecular interactions. Non-destructive and real-time monitoring the response to evaluate the parameters between antigens and antibodies can be performed by using optical surface plasmon resonance (SPR) biosensor technology. This technology provides a quantitative analysis that is carried out rapidly with label-free high-throughput detection using the binding curves of antigens-antibodies. Consequently, the kinetic parameters of interaction between antigens and antibodies can be obtained. This article presents a low cost integrated SPR-based bioanalyzer (HPSPR-6000) designed by ourselves. This bioanalyzer is mainly composed of a biosensor TSPR1K23, a touch-screen monitor, a microprocessor PIC24F128, a microflow cell with three channels, a clamp and a photoelectric conversion device. To obtain the kinetic parameters, sensorgrams may be modeled using one of several binding models provided with BIAevaluation software 3.0, SensiQ or Autolab. This allows calculation of the association rate constant (ka) and the dissociation rate constant (kd). The ratio of ka to kd can be used to estimate the equilibrium constant. Another kind is the analysis software OriginPro, which can process the obtained data by nonlinear fitting and then get some correlative parameters, but it can't be embedded into the bioanalyzer, so the bioanalyzer don't support the use of OriginPro. This paper proposes a novel method to evaluate the kinetic parameters

  10. Precision Deployable Mast for the SWOT KaRIn Instrument

    Data.gov (United States)

    National Aeronautics and Space Administration — Design and prototype a lightweight, precision-deployable mast for the Ka-band Radar Interferometer (KaRIn) antennas in the Surface Water and Ocean Topography (SWOT)...

  11. Predicting the pKa and stability of organic acids and bases at an oil-water interface.

    Science.gov (United States)

    Andersson, M P; Olsson, M H M; Stipp, S L S

    2014-06-10

    We have used density functional theory and the implicit solvent model, COSMO-RS, to investigate how the acidity constant, pKa, of organic acids and bases adsorbed at the organic compound-aqueous solution interface changes, compared to its value in the aqueous phase. The pKa determine the surface charge density of the molecules that accumulate at the fluid-fluid interface. We have estimated the pKa by comparing the stability of the protonated and unprotonated forms of a series of molecules in the bulk aqueous solution and at an interface where parts of each molecule reside in the hydrophobic phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules studied, we propose that the pKa for molecules at a water-organic compound interface can easily be predicted by adding a small shift to the aqueous pKa. This shift is general and correlates with the functional group. We also found that the relative composition of molecules at the fluid-fluid interface is not the same as in the bulk. For example, species such as carboxylic acids are enriched at the interface, where they can dominate surface properties, even when they are a modest component in the bulk fluid. For high surface concentrations of carboxylic acid groups at an interface, such as a self-assembled monolayer, we have demonstrated that the pKa depends on the degree of deprotonation through direct hydrogen bonding between protonated and deprotonated acidic headgroups.

  12. Contributions of the Histidine Side Chain and the N-terminal α-Amino Group to the Binding Thermodynamics of Oligopeptides to Nucleic Acids as a Function of pH

    Science.gov (United States)

    Ballin, Jeff D.; Prevas, James P.; Ross, Christina R.; Toth, Eric A.; Wilson, Gerald M.; Record, M. Thomas

    2010-01-01

    Interactions of histidine with nucleic acid phosphates and histidine pKa shifts make important contributions to many protein-nucleic acid binding processes. To characterize these phenomena in simplified systems, we quantified binding of a histidine-containing model peptide HWKK (+NH3-His-Trp-Lys-Lys-NH2) and its lysine analog KWKK (+NH3-Lys-Trp-Lys-Lys-NH2) to a single-stranded RNA model, polyuridylate (polyU), by changes in tryptophan fluorescence as a function of salt concentration and pH. For both HWKK and KWKK, equilibrium binding constants, Kobs, and magnitudes of log-log salt derivatives SKobs ≡ (∂logKobs/∂log[Na+]), decreased with increasing pH in the manner expected for a titration curve model in which deprotonation of the histidine and α-amino groups weakens binding and reduces its salt-dependence. Fully protonated HWKK and KWKK exhibit the same Kobs and SKobs within uncertainty, and these SKobs values are consistent with limiting-law polyelectrolyte theory for +4 cationic oligopeptides binding to single-stranded nucleic acids. The pH-dependence of HWKK binding to polyU provides no evidence for pKa shifts nor any requirement for histidine protonation, in stark contrast to the thermodynamics of coupled protonation often seen for these cationic residues in the context of native protein structure where histidine protonation satisfies specific interactions (e.g., salt-bridge formation) within highly complementary binding interfaces. The absence of pKa shifts in our studies indicates that additional Coulombic interactions across the nonspecific-binding interface between RNA and protonated histidine or the α-amino group are not sufficient to promote proton uptake for these oligopeptides. We present our findings in the context of hydration models for specific versus nonspecific nucleic acid binding. PMID:20108951

  13. pKa values in proteins determined by electrostatics applied to molecular dynamics trajectories.

    Science.gov (United States)

    Meyer, Tim; Knapp, Ernst-Walter

    2015-06-09

    For a benchmark set of 194 measured pKa values in 13 proteins, electrostatic energy computations are performed in which pKa values are computed by solving the Poisson-Boltzmann equation. In contrast to the previous approach of Karlsberg(+) (KB(+)) that essentially used protein crystal structures with variations in their side chain conformations, the present approach (KB2(+)MD) uses protein conformations from four molecular dynamics (MD) simulations of 10 ns each. These MD simulations are performed with different specific but fixed protonation patterns, selected to sample the conformational space for the different protonation patterns faithfully. The root-mean-square deviation between computed and measured pKa values (pKa RMSD) is shown to be reduced from 1.17 pH units using KB(+) to 0.96 pH units using KB2(+)MD. The pKa RMSD can be further reduced to 0.79 pH units, if each conformation is energy-minimized with a dielectric constant of εmin = 4 prior to calculating the electrostatic energy. The electrostatic energy expressions upon which the computations are based have been reformulated such that they do not involve terms that mix protein and solvent environment contributions and no thermodynamic cycle is needed. As a consequence, conformations of the titratable residues can be treated independently in the protein and solvent environments. In addition, the energy terms used here avoid the so-called intrinsic pKa and can therefore be interpreted without reference to arbitrary protonation states and conformations.

  14. The Fine Structure Constant

    Indian Academy of Sciences (India)

    IAS Admin

    The article discusses the importance of the fine structure constant in quantum mechanics, along with the brief history of how it emerged. Al- though Sommerfelds idea of elliptical orbits has been replaced by wave mechanics, the fine struc- ture constant he introduced has remained as an important parameter in the field of ...

  15. The Cosmological Constant

    Directory of Open Access Journals (Sweden)

    Carroll Sean M.

    2001-01-01

    Full Text Available This is a review of the physics and cosmology of the cosmological constant. Focusing on recent developments, I present a pedagogical overview of cosmology in the presence of a cosmological constant, observational constraints on its magnitude, and the physics of a small (and potentially nonzero vacuum energy.

  16. On Aryabhata's Planetary Constants

    OpenAIRE

    Kak, Subhash

    2001-01-01

    This paper examines the theory of a Babylonian origin of Aryabhata's planetary constants. It shows that Aryabhata's basic constant is closer to the Indian counterpart than to the Babylonian one. Sketching connections between Aryabhata's framework and earlier Indic astronomical ideas on yugas and cyclic calendar systems, it is argued that Aryabhata's system is an outgrowth of an earlier Indic tradition.

  17. Determination of acid dissociation constants of warfarin and hydroxywarfarins by capillary electrophoresis.

    Science.gov (United States)

    Nowak, Paweł; Olechowska, Paulina; Mitoraj, Mariusz; Woźniakiewicz, Michał; Kościelniak, Paweł

    2015-08-10

    In this work the acid dissociation constants--pKa of warfarin and its all important oxidative metabolites have been determined by capillary electrophoresis-based methods. It has resulted in a complete description of two acid-base dissociation equilibria, yet not investigated experimentally for phase I metabolites of warfarin. The capillary electrophoresis (CE) method based on the relation between effective electrophoretic mobilities and pH has proven to be a suitable tool for pKa determination, while the spectrophotometric (CE-DAD) and the internal standard methods (IS-CE), have appeared to be promising alternative approaches. The CE-DAD approach based on the change in absorbance spectra between the acidic and basic forms is a combination between capillary electrophoresis and spectrophotometric titration, and yields very consistent values of pKa1 with CE. The IS-CE, in turn, enables an estimation of pKa1 and pKa2 from only two analytical runs, however, less accurate than CE and CE-DAD. The Debye-Hückel model has been confirmed experimentally as a good predictor of pKa values at various ionic strengths. Therefore, it has been used in determination of thermodynamic pKa1 and pKa2, referring to the zero ionic strength. The results are important from the analytical, pharmacological, and theoretical points of view. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Analysis of binding interaction between the natural apocarotenoid bixin and human serum albumin by circular dichroism and fluorescence spectroscopy.

    Science.gov (United States)

    Zsila, Ferenc; Molnár, Péter; Deli, József

    2005-06-01

    Bixin is an important, pharmacologically active dietary cis-carotenoid, but its interaction with potential macromolecular targets is completely unexplored. This work was aimed to study the binding of bixin to human serum albumin (HSA), the most abundant protein in blood plasma. Circular dichroism (CD) spectroscopy in combination with UV/VIS absorption spectroscopy and fluorescence quenching techniques were applied. Appearance of induced CD bands in the UV- and VIS-absorption spectral regions indicated the formation of non-covalent carotenoid-albumin complexes. Shape and spectral position of the extrinsic Cotton effects suggested the binding of a single bixin molecule to HSA in chiral conformation. Scatchard and non-linear regression analyses of CD titration data resulted in similar values for the association constant (Ka = 6.6 and 4.6x10(5) M(-1), resp.) and for the number of binding sites (n = 1). The binding interaction was independently confirmed by fluorescence-quenching experiment from which the binding parameters were also calculated. CD Displacement measurements performed with marker ligands established that the main drug binding sites of HSA are not involved in binding of bixin. Palmitic acid decreased the amplitude of the induced CD bands suggesting a common albumin binding site for bixin and long-chain fatty acids. The above data indicate that HSA plays a significant role in the plasma transportation of bixin and related dietary carboxylic acid carotenoids.

  19. Binding of caffeine, theophylline, and theobromine with human serum albumin: A spectroscopic study

    Science.gov (United States)

    Zhang, Hong-Mei; Chen, Ting-Ting; Zhou, Qiu-Hua; Wang, Yan-Qing

    2009-12-01

    The interaction between three purine alkaloids (caffeine, theophylline, and theobromine) and human serum albumin (HSA) was investigated using UV/vis absorption, circular dichroism (CD), fluorescence, synchronous fluorescence, and three-dimensional fluorescence spectra techniques. The results revealed that three alkaloids caused the fluorescence quenching of HSA by the formation of alkaloid-HSA complex. The binding site number n and apparent binding constant KA, corresponding thermodynamic parameters the free energy change (Δ G), enthalpy change (Δ H), and entropy change (Δ S) at different temperatures were calculated. The hydrophobic interaction plays a major role in stabilizing the complex. The distance r between donor (HSA) and acceptor (alkaloids) was obtained according to fluorescence resonance energy transfer. The effect of alkaloids on the conformation of HSA was analyzed using circular dichroism (CD), UV/vis absorption, synchronous fluorescence and three-dimensional fluorescence spectra techniques.

  20. Determination of the overlapping p Ka values of chrysin using UV-vis spectroscopy and ab initio methods

    Science.gov (United States)

    Castro, G. T.; Ferretti, F. H.; Blanco, S. E.

    2005-11-01

    The overlapping p Ka values of 5,7-dihydroxyflavone (chrysin) in EtOH-water solutions were determined by means of a UV-vis spectroscopic method that uses absorbance diagrams, at constant ionic strength (0.050 M) and temperature (25.0 ± 0.1 °C). It was observed that the p Ka values increase when the polarity-polarizability and solvation abilities of the reaction medium decrease. In order to calculate the p Ka1 and p Ka2 of chrysin in pure water, various relationships between the determined p Ka and properties of solvents (relative permittivity, α-parameter of Taft and parameter Acity), are proposed. Moreover, with the aim of explaining the first p Ka1 value obtained, the molecular conformations and solute-solvent interactions of the 7(O -)chrysinate monoanion were also investigated, using ab initio methods. Several ionization reactions and equilibria in water, which possesses a high hydrogen-bond-donor ability, are proposed. These reactions and equilibria constituted the necessary theoretical basis to calculate the first acidity constant of chrysin. The HF/6-31G(d) and HF/6-31 + G(d) methods were used for calculations. Tomasi's method was used to analyze the formation of intermolecular hydrogen bonds between the 7(O -)chrysinate monoanion and water molecules. It was proposed that in alkaline aqueous solutions the monoanion of chrysin is solvated with one water molecule. The agreement between the experimental and theoretical p Ka1 values provides good support for the acid-base reactions proposed in this paper.

  1. Silicic magma accumulation beneath Mount Mazama, Oregon, 71 ka to 24 ka constrained by SHRIMP measurements of dissolved volatile concentrations in melt inclusions

    Science.gov (United States)

    Wright, H. M.; Bacon, C. R.; Vazquez, J. A.; Sisson, T. W.

    2010-12-01

    Dissolved volatile contents of melt inclusions trapped in pyroxene and plagioclase crystals from 7 silicic eruptions preceding the climactic ~7.7 ka Mazama eruption were measured by SIMS with the Stanford-USGS SHRIMP-RG. Melt inclusions in crystals were intersected, polished, and crystals were mounted in indium in Al mounts. A 1.2-3.0 nA (depending on the session), O2- primary beam was accelerated and focused to a 15-25 μm spot on the sample surface, which generated positive secondary ions of analyzed Li, Be, B, C, OH, F, Mg, Si, SiH, S, Cl, Ca, AlO, KO, Rb, and Sr. Measurements were made at high mass resolution (6000-7000). Trace element and volatile concentrations were calculated using a best-fit regression to count rate ratios (normalized to 30Si) vs. variable known concentrations in experimental and natural rhyolite glass standards. Pumiceous samples were chosen from dacitic to rhyodacitic eruptive deposits, consisting of the 71ka dacite of Pumice Castle, 70ka dacite below Llao Rock, 50ka dacite of the Watchman, 35ka dacite of Munson Valley, 35ka Williams Crater tephra, 27ka Redcloud Cliff rhyodacite, and 24ka andesite S of Bear Bluff. Melt inclusions are abundant in spongy, mineral-inclusion-rich interiors of pyroxene crystals in early (71-35ka) eruptive deposits and are less abundant throughout pyroxenes from later eruptions (35-24ka) and in plagioclase crystals. Over the entire time interval, most trace element and volatile concentrations remain approximately constant between melt inclusion populations. However, there are some variations in water and carbon dioxide concentration. A large proportion of inclusions in the smaller eruptive deposits (0.003-0.4 km3) of the dacite of the Watchman, dacite of Munson Valley, and Williams Crater tephra have low water contents, ~1 wt% H2O, corresponding to a saturation pressure of 25MPa, or ~1km depth (at 870°, approximate average temperature for these deposits, e.g., Druitt and Bacon, Contrib Mineral Petrol 1989

  2. The cosmological constant problem

    International Nuclear Information System (INIS)

    Dolgov, A.D.

    1989-05-01

    A review of the cosmological term problem is presented. Baby universe model and the compensating field model are discussed. The importance of more accurate data on the Hubble constant and the Universe age is stressed. 18 refs

  3. Deconstructing the Cosmological Constant

    CERN Document Server

    Jejjala, V; Minic, D; Jejjala, Vishnu; Leigh, Robert G.; Minic, Djordje

    2003-01-01

    Deconstruction provides a novel way of dealing with the notoriously difficult ultraviolet problems of four-dimensional gravity. This approach also naturally leads to a new perspective on the holographic principle, tying it to the fundamental requirements of unitarity and diffeomorphism invariance, as well as to a new viewpoint on the cosmological constant problem. The numerical smallness of the cosmological constant is implied by a unique combination of holography and supersymmetry, opening a new window into the fundamental physics of the vacuum.

  4. Ka-band waveguide rotary joint

    KAUST Repository

    Yevdokymov, Anatoliy

    2013-04-11

    The authors present a design of a waveguide rotary joint operating in Ka-band with central frequency of 33 GHz, which also acts as an antenna mount. The main unit consists of two flanges with a clearance between them; one of the flanges has three circular choke grooves. Utilisation of three choke grooves allows larger operating clearance. Two prototypes of the rotary joint have been manufactured and experimentally studied. The observed loss is from 0.4 to 0.8 dB in 1.5 GHz band.

  5. GRAPHICAL DETERMINATION OF DISSOCIATION CONSTANT ...

    African Journals Online (AJOL)

    DR. AMINU

    conform to the general equation of straight – line graph; y = mx + c, where y = pH, m = slope, x = log. [HA]/[A] and C = intercept = pKa. Thus the pKa is obtained as the intercept of the graph of pH versus – log [HA]/[A] as shown in Figures 1,2 and 3 for glycine, alanine and valine respectively. The values obtained were 9.87 ...

  6. Computational scheme for pH-dependent binding free energy calculation with explicit solvent.

    Science.gov (United States)

    Lee, Juyong; Miller, Benjamin T; Brooks, Bernard R

    2016-01-01

    We present a computational scheme to compute the pH-dependence of binding free energy with explicit solvent. Despite the importance of pH, the effect of pH has been generally neglected in binding free energy calculations because of a lack of accurate methods to model it. To address this limitation, we use a constant-pH methodology to obtain a true ensemble of multiple protonation states of a titratable system at a given pH and analyze the ensemble using the Bennett acceptance ratio (BAR) method. The constant pH method is based on the combination of enveloping distribution sampling (EDS) with the Hamiltonian replica exchange method (HREM), which yields an accurate semi-grand canonical ensemble of a titratable system. By considering the free energy change of constraining multiple protonation states to a single state or releasing a single protonation state to multiple states, the pH dependent binding free energy profile can be obtained. We perform benchmark simulations of a host-guest system: cucurbit[7]uril (CB[7]) and benzimidazole (BZ). BZ experiences a large pKa shift upon complex formation. The pH-dependent binding free energy profiles of the benchmark system are obtained with three different long-range interaction calculation schemes: a cutoff, the particle mesh Ewald (PME), and the isotropic periodic sum (IPS) method. Our scheme captures the pH-dependent behavior of binding free energy successfully. Absolute binding free energy values obtained with the PME and IPS methods are consistent, while cutoff method results are off by 2 kcal mol(-1) . We also discuss the characteristics of three long-range interaction calculation methods for constant-pH simulations. © 2015 The Protein Society.

  7. Elastic constants of calcite

    Science.gov (United States)

    Peselnick, L.; Robie, R.A.

    1962-01-01

    The recent measurements of the elastic constants of calcite by Reddy and Subrahmanyam (1960) disagree with the values obtained independently by Voigt (1910) and Bhimasenachar (1945). The present authors, using an ultrasonic pulse technique at 3 Mc and 25??C, determined the elastic constants of calcite using the exact equations governing the wave velocities in the single crystal. The results are C11=13.7, C33=8.11, C44=3.50, C12=4.82, C13=5.68, and C14=-2.00, in units of 1011 dyncm2. Independent checks of several of the elastic constants were made employing other directions and polarizations of the wave velocities. With the exception of C13, these values substantially agree with the data of Voigt and Bhimasenachar. ?? 1962 The American Institute of Physics.

  8. Fundamental physics constants

    International Nuclear Information System (INIS)

    Cohen, E.R.; Taylor, B.N.

    1995-01-01

    Present technological applications require the values used for the fundamental physical and chemical constants to be more and more precise and at the same time coherent. Great importance is then attached to the task of coordinating and comparing the most recent experimental data, extracting from them as a whole, by means of a least square fit, a set of values for the fundamental constants as precise and coherent as possible. The set of values which is at present in usage, derives from a fit performed in 1986, but new experimental results already promise a large reduction in the uncertainties of various constants. A new global fit that will implement such reductions is scheduled for completion in 1995 or 1996

  9. Radiographic constant exposure technique

    DEFF Research Database (Denmark)

    Domanus, Joseph Czeslaw

    1985-01-01

    The constant exposure technique has been applied to assess various industrial radiographic systems. Different X-ray films and radiographic papers of two producers were compared. Special attention was given to fast film and paper used with fluorometallic screens. Radiographic image quality was tes...... was tested by the use of ISO wire IQI's and ASTM penetrameters used on Al and Fe test plates. Relative speed and reduction of kilovoltage obtained with the constant exposure technique were calculated. The advantages of fast radiographic systems are pointed out...

  10. Radiographic constant exposure technique

    DEFF Research Database (Denmark)

    Domanus, Joseph Czeslaw

    1985-01-01

    The constant exposure technique has been applied to assess various industrial radiographic systems. Different X-ray films and radiographic papers of two producers were compared. Special attention was given to fast film and paper used with fluorometallic screens. Radiographic image quality...... was tested by the use of ISO wire IQI's and ASTM penetrameters used on Al and Fe test plates. Relative speed and reduction of kilovoltage obtained with the constant exposure technique were calculated. The advantages of fast radiographic systems are pointed out...

  11. The Yamabe constant

    International Nuclear Information System (INIS)

    O Murchadha, N.

    1991-01-01

    The set of riemannian three-metrics with positive Yamabe constant defines the space of independent data for the gravitational field. The boundary of this set is investigated, and it is shown that metrics close to the boundary satisfy the positive-energy theorem. (Author) 18 refs

  12. FORMATION CONSTANTS AND THERMODYNAMIC ...

    African Journals Online (AJOL)

    , Ni(II), Cu(II) and Zn(II) ions has been ... A good deal of work has been reported on the preparation and structural investigation of. Schiff base ... Formation constants and thermodynamic parameters of Co, Ni, Cu and Zn complexes. Bull. Chem.

  13. p Ka calculation of poliprotic acid: histamine

    Science.gov (United States)

    De Abreu, Heitor A.; De Almeida, Wagner B.; Duarte, Hélio A.

    2004-01-01

    Various theoretical studies have been reported addressing the performance of solvation models available to estimate p Ka values. However, no attention has been paid so far to the role played by the electronic, thermal and solvation energy individual contributions to the Gibbs free energy of the deprotonation process. In this work, we decompose the total Gibbs free energy into three distinct terms and then evaluate the dependence of each contribution on the level of theory employed for its determination using different levels of theory. The three possible p Kas of histamine have been estimated and compared with available experimental data. We found that the electronic energy term is sensitive to the level of theory and basis set, and, therefore, could be also a source of error in the theoretical calculation of p Kas.

  14. The Benefits of the Ka-Band as Evidenced from the SARAL/AltiKa Altimetric Mission: Quality Assessment and Unique Characteristics of AltiKa Data

    Directory of Open Access Journals (Sweden)

    Pascal Bonnefond

    2018-01-01

    Full Text Available The India-France SARAL/AltiKa mission is the first Ka-band altimetric mission dedicated to oceanography. The mission objectives are primarily the observation of the oceanic mesoscales but also include coastal oceanography, global and regional sea level monitoring, data assimilation, and operational oceanography. The mission ended its nominal phase after 3 years in orbit and began a new phase (drifting orbit in July 2016. The objective of this paper is to provide a state of the art of the achievements of the SARAL/AltiKa mission in terms of quality assessment and unique characteristics of AltiKa data. It shows that the AltiKa data have similar accuracy at the centimeter level in term of absolute water level whatever the method (from local to global and the type of water surfaces (ocean and lakes. It shows also that beyond the fact that AltiKa data quality meets the expectations and initial mission requirements, the unique characteristics of the altimeter and the Ka-band offer unique contributions in fields that were previously not fully foreseen.

  15. Experimental determination of net protein charge and A(tot) and K(a) of nonvolatile buffers in human plasma.

    Science.gov (United States)

    Staempfli, Henry R; Constable, Peter D

    2003-08-01

    The mechanism for an acid-base disturbance can be determined by using the strong ion approach, which requires species-specific values for the total concentration of plasma nonvolatile buffers (Atot) and the effective dissociation constant for plasma weak acids (Ka). The aim of this study was to experimentally determine Atot and Ka values for human plasma by using in vitro CO2 tonometry. Plasma Pco2 was systematically varied from 25 to 145 Torr at 37 degrees C, thereby altering plasma pH over the physiological range of 6.90-7.55, and plasma pH, Pco2, and concentrations of quantitatively important strong ions (Na+, K+, Ca2+, Mg2+, Cl-, lactate) and buffer ions (total protein, albumin, phosphate) were measured. Strong ion difference was estimated, and nonlinear regression was used to calculate Atot and Ka from the measured pH and Pco2 and estimated strong ion difference; the Atot and Ka values were then validated by using a published data set (Figge J, Rossing TH, and Fencl V, J Lab Clin Med 117: 453-467, 1991). The values (mean +/- SD) were as follows: Atot = 17.2 +/- 3.5 mmol/l (equivalent to 0.224 mmol/g of protein or 0.378 mmol/g of albumin); Ka = 0.80 +/- 0.60 x 10-7; negative log of Ka = 7.10. Mean estimates were obtained for strong ion difference (37 meq/l) and net protein charge (13+.0 meq/l). The experimentally determined values for Atot, Ka, and net protein charge should facilitate the diagnosis and treatment of acid-base disturbances in critically ill humans.

  16. Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pKa: Consideration of Secondary Functionality and Higher Degree of Solvation.

    Science.gov (United States)

    Abramson, Rebecca A; Baldridge, Kim K

    2013-02-12

    Benchmark accuracy for prediction of first and second dissociation constants (pKa1 and pKa2 values) is realized with the recently developed Defined-Sector Explicit Solvent in Continuum Cluster Model. The model provides a systematic basis for inclusion of explicit solvation, essential for accurate prediction of dissociation constants using computational continuum model approaches. The DSES-CC model is demonstrated by considering the structure-to-chemical affinity relationship of the carboxyl functional group and is shown to provide predictability with mean absolute error of 0.5 pK units across a wide array of carboxylic acid functionality.

  17. Renormalization of Newton's constant

    Science.gov (United States)

    Falls, Kevin

    2015-12-01

    The problem of obtaining a gauge independent beta function for Newton's constant is addressed. By a specific parametrization of metric fluctuations a gauge independent functional integral is constructed for the semiclassical theory around an arbitrary Einstein space. The effective action then has the property that only physical polarizations of the graviton contribute, while all other modes cancel with the functional measure. We are then able to compute a gauge independent beta function for Newton's constant in d dimensions to one-loop order. No Landau pole is present provided Ng<18 , where Ng=d (d -3 )/2 is the number of polarizations of the graviton. While adding a large number of matter fields can change this picture, the absence of a pole persists for the particle content of the standard model in four spacetime dimensions.

  18. Production in constant evolution

    International Nuclear Information System (INIS)

    Lozano, T.

    2009-01-01

    The Cofrentes Nuclear Power Plant now has 25 years of operation behind it: a quarter century adding value and demonstrating the reasons why it is one of the most important energy producing facilities in the Spanish power market. Particularly noteworthy is the enterprising spirit of the plant, which has strived to continuously improve with the large number of modernization projects that it has undertaken over the past 25 years. The plant has constantly evolved thanks to the amount of investments made to improve safety and reliability and the perseverance to stay technologically up to date. Efficiency, training and teamwork have been key to the success of the plant over these 25 years of constant change and progress. (Author)

  19. The Fine Structure Constant

    Indian Academy of Sciences (India)

    IAS Admin

    important parameter in the field of atomic struc- ture. The values of the constants of ... tions in their core that produce carbon. As a result, .... atom in 1913. In other words, the size of a hydrogen atom is a factor α−2 ≈ 20000 times the size of an elec- tron. Another way of looking at α is to consider the ratio of the orbital speed of ...

  20. The cosmological constant

    International Nuclear Information System (INIS)

    Mellor, F.

    1989-01-01

    Astronomical observations predict to an extremely accurate degree that the cosmological term in Einstein's equations should be zero. This conflicts with the predictions from particle theories of a non-zero cosmological term. Attempts to resolve this paradox range from arguments based on the anthropic principle to supersymmetric theories to quantum cosmological proposals. These approaches are discussed here and the history of the cosmological constant is reviewed. (author)

  1. Experimental determination of monoethanolamine protonation constant and its temperature dependency

    Directory of Open Access Journals (Sweden)

    Ma’mun Sholeh

    2017-01-01

    Full Text Available Carbon dioxide as one of the major contributors to the global warming problem is produced in large quantities by many important industries and its emission seems to rise from year to year. Aminebased absorption is one of the methods to capture CO2 from its sources. As a reactive system, mass transfer and chemical reaction take place simultaneously. In a vapor-liquid equilibrium model for the CO2-amine-water system, some parameters such as mass transfer coefficients and chemical equilibrium constants need to be known. However, some parameters could be determined experimentally and the rests could be regressed from the model. The protonation constant (pKa, as one of the model parameters, could then be measured experimentally. The purpose of this study is to measure the pKa of monoethanolamine (MEA at a range of temperatures from 303 to 330K by a potentiometric titration method. The experimental data obtained were in a good agreement with the literature data. The pKa data from this work together with those from the literature were then correlated in an empirical correlation to be used for future research.

  2. Connecting Fundamental Constants

    International Nuclear Information System (INIS)

    Di Mario, D.

    2008-01-01

    A model for a black hole electron is built from three basic constants only: h, c and G. The result is a description of the electron with its mass and charge. The nature of this black hole seems to fit the properties of the Planck particle and new relationships among basic constants are possible. The time dilation factor in a black hole associated with a variable gravitational field would appear to us as a charge; on the other hand the Planck time is acting as a time gap drastically limiting what we are able to measure and its dimension will appear in some quantities. This is why the Planck time is numerically very close to the gravitational/electric force ratio in an electron: its difference, disregarding a π√(2) factor, is only 0.2%. This is not a coincidence, it is always the same particle and the small difference is between a rotating and a non-rotating particle. The determination of its rotational speed yields accurate numbers for many quantities, including the fine structure constant and the electron magnetic moment

  3. The Hubble Constant.

    Science.gov (United States)

    Jackson, Neal

    2015-01-01

    I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H 0 values of around 72-74 km s -1 Mpc -1 , with typical errors of 2-3 km s -1 Mpc -1 . This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67-68 km s -1 Mpc -1 and typical errors of 1-2 km s -1 Mpc -1 . The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  4. Universe of constant

    Science.gov (United States)

    Yongquan, Han

    2016-10-01

    The ideal gas state equation is not applicable to ordinary gas, it should be applied to the Electromagnetic ``gas'' that is applied to the radiation, the radiation should be the ultimate state of matter changes or initial state, the universe is filled with radiation. That is, the ideal gas equation of state is suitable for the Singular point and the universe. Maybe someone consider that, there is no vessel can accommodate radiation, it is because the Ordinary container is too small to accommodate, if the radius of your container is the distance that Light through an hour, would you still think it can't accommodates radiation? Modern scientific determinate that the radius of the universe now is about 1027 m, assuming that the universe is a sphere whose volume is approximately: V = 4.19 × 1081 cubic meters, the temperature radiation of the universe (cosmic microwave background radiation temperature of the universe, should be the closest the average temperature of the universe) T = 3.15k, radiation pressure P = 5 × 10-6 N / m 2, according to the law of ideal gas state equation, PV / T = constant = 6 × 1075, the value of this constant is the universe, The singular point should also equal to the constant Author: hanyongquan

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

    Science.gov (United States)

    Slater, Anthony Michael

    2014-10-01

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

  6. Predicting the pKa and stability of organic acids and bases at an oil-water interface

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Olsson, Mats Henrik Mikael; Stipp, Susan Louise Svane

    2014-01-01

    We have used density functional theory and the implicit solvent model, COSMO-RS, to investigate how the acidity constant, pKa, of organic acids and bases adsorbed at the organic compound-aqueous solution interface changes, compared to its value in the aqueous phase. The pKa determine the surface...... phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules...... is not the same as in the bulk. For example, species such as carboxylic acids are enriched at the interface, where they can dominate surface properties, even when they are a modest component in the bulk fluid. For high surface concentrations of carboxylic acid groups at an interface, such as a self...

  7. DARHT 2 kA Cathode Development

    Energy Technology Data Exchange (ETDEWEB)

    Henestroza, E.; Houck, T.; Kwan, J.W.; Leitner, M.; Miram, G.; Prichard, B.; Roy, P.K.; Waldron, W.; Westenskow, G.; Yu, S.; Bieniosek, F.M.

    2009-03-09

    In the campaign to achieve 2 kA of electron beam current, we have made several changes to the DARHT-II injector during 2006-2007. These changes resulted in a significant increase in the beam current, achieving the 2 kA milestone. Until recently (before 2007), the maximum beam current that was produced from the 6.5-inch diameter (612M) cathode was about 1300 A when the cathode was operating at a maximum temperature of 1140 C. At this temperature level, the heat loss was dominated by radiation which is proportional to temperature to the fourth power. The maximum operating temperature was limited by the damage threshold of the potted filament and the capacity of the filament heater power supply, as well as the shortening of the cathode life time. There were also signs of overheating at other components in the cathode assembly. Thus it was clear that our approach to increase beam current could not be simply trying to run at a higher temperature and the preferred way was to operate with a cathode that has a lower work function. The dispenser cathode initially used was the type 612M made by SpectraMat. According to the manufacturer's bulletin, this cathode should be able to produce more than 10 A/cm{sup 2} of current density (corresponding to 2 kA of total beam current) at our operating conditions. Instead the measured emission (space charge limited) was 6 A/cm{sup 2}. The result was similar even after we had revised the activation and handling procedures to adhere more closely to the recommend steps (taking longer time and nonstop to do the out-gassing). Vacuum was a major concern in considering the cathode's performance. Although the vacuum gauges at the injector vessel indicated 10{sup -8} Torr, the actual vacuum condition near the cathode in the central region of the vessel, where there might be significant out-gassing from the heater region, was never determined. Poor vacuum at the surface of the cathode degraded the emission (by raising the work function

  8. DARHT 2 kA Cathode Development

    International Nuclear Information System (INIS)

    Henestroza, E.; Houck, T.; Kwan, J.W.; Leitner, M.; Miram, G.; Prichard, B.; Roy, P.K.; Waldron, W.; Westenskow, G.; Yu, S.; Bieniosek, F.M.

    2009-01-01

    In the campaign to achieve 2 kA of electron beam current, we have made several changes to the DARHT-II injector during 2006-2007. These changes resulted in a significant increase in the beam current, achieving the 2 kA milestone. Until recently (before 2007), the maximum beam current that was produced from the 6.5-inch diameter (612M) cathode was about 1300 A when the cathode was operating at a maximum temperature of 1140 C. At this temperature level, the heat loss was dominated by radiation which is proportional to temperature to the fourth power. The maximum operating temperature was limited by the damage threshold of the potted filament and the capacity of the filament heater power supply, as well as the shortening of the cathode life time. There were also signs of overheating at other components in the cathode assembly. Thus it was clear that our approach to increase beam current could not be simply trying to run at a higher temperature and the preferred way was to operate with a cathode that has a lower work function. The dispenser cathode initially used was the type 612M made by SpectraMat. According to the manufacturer's bulletin, this cathode should be able to produce more than 10 A/cm 2 of current density (corresponding to 2 kA of total beam current) at our operating conditions. Instead the measured emission (space charge limited) was 6 A/cm 2 . The result was similar even after we had revised the activation and handling procedures to adhere more closely to the recommend steps (taking longer time and nonstop to do the out-gassing). Vacuum was a major concern in considering the cathode's performance. Although the vacuum gauges at the injector vessel indicated 10 -8 Torr, the actual vacuum condition near the cathode in the central region of the vessel, where there might be significant out-gassing from the heater region, was never determined. Poor vacuum at the surface of the cathode degraded the emission (by raising the work function value). We reexamined

  9. Development of radioimmunoassay for prolactin binding protein

    International Nuclear Information System (INIS)

    Raikar, R.S.; Sheth, A.R.

    1982-01-01

    Using a homogenous prolactin binding protein (PBP) preparations from rat seminal vesicle secretion, a sensitive and specific radioimmunoassay (RIA) for PBP has been developed. The assay was highly specific and showed no cross-reaction with other protein hormones from various species. The antiserum had an affinity constant (Ka) of 2.66 x 10 10 M -1 . The assay sensitivity was in the range of 0.5-1.0 ng of pure PBP per assay tube and the intra- and inter-assay coefficients of variations were 6-8% and 12-14.5% respectively. The overall recovery of PBP to the rat seminal vesicle secretion was 96.8%. Using this RIA, PBP levels in various biological fluids and reproductive tissues were measured. Azoospermic human semen contained significantly higher levels of PBP than normospermic semen. The seminal vesicle of rat exhibited the highest concentration of PBP. Administration of antiserum to PBP to mature male rats resulted in a significant reduction in the weight of ventral prostrate and serum prolactin levels were significantly elevated in these animals suggesting that the antibody raised against the PBP was capable of blocking prolactin receptors. (author)

  10. Briti korruptsioonivastane seadus kehtib ka Eestis / Tõnis Tamme

    Index Scriptorium Estoniae

    Tamme, Tõnis, 1972-

    2011-01-01

    Suurbritannias jõustub 1. juulil 2011 uus korruptsioonivastane seadus (Bribery Act 2010), mis kehtib ühtmoodi nii Briti ettevõtetele kui ka mujal maailmas asutatud äriühingutele, kelle äritegevus või ka osa sellest omab puutumust Suurbritanniaga

  11. Ulukiliha sobib ka jõululauale / Raivo Feldmann

    Index Scriptorium Estoniae

    Feldmann, Raivo

    2009-01-01

    Adavere lihakauplusest, mida on külastanud ka president Toomas Hendrik Ilves ja proua Evelin Ilves. OÜ Chef Foodsi kaupa tellib ka presidendi kantselei. Juuresoleval fotol president Toomas Hendrik Ilves ja proua Evelin Ilves koos OÜ Chef Foodsi juhatuse liikme Veiko Villemi ja juhataja Priit Noorhaniga

  12. Acidity constants of sparingly water-soluble drugs from potentiometric determinations in aqueous dimethyl sulfoxide.

    Science.gov (United States)

    Fini, A; De Maria, P; Guarnieri, A; Varoli, L

    1987-01-01

    A brief analysis of the acid-base equilibria in pure organic solvents and/or in their aqueous mixtures is reported with the aim of determining dissociation constants of acidic drugs that are sparingly soluble in water. Among aqueous organic mixtures, aqueous Me2SO (80% w/w) presents properties particularly suitable for acid-base studies, and thermodynamically meaningful acidity constants can be obtained by a potentiometric technique, provided that the glass electrode is properly calibrated. Thermodynamic acidity constants of more than 100 acids have been potentiometrically determined at 25 degrees C in this mixed solvent, and the selected series of acids has been divided into four classes according to the nature of the acidic group (COOH, OH, SH) and the structure of the acid (aliphatic, aromatic, heterocyclic). A linear relationship between the experimental pKa values in water and pKa values in aqueous Me2SO (80% w/w) has been found within the single classes and a group of equations has been derived (the asterisk denotes pKa values in which infinite dilution in the mixed solvent is taken as a standard state). For the carboxylic acid class, the following "common" equation has been found: pKa(H2O) = -0.80 + 0.67 pKa (Me2SO; 80% w/w). As an application, pKa values in water are reported for a representative number of sparingly soluble acids. These values have been calculated by means of the "common" equation, using pKa values experimentally determined in aqueous Me2SO (80% w/w). The calculated values are in good agreement with those expected from the acid structures.

  13. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Neal Jackson

    2015-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H_0 values of around 72–74 km s^–1 Mpc^–1, with typical errors of 2–3 km s^–1 Mpc^–1. This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67–68 km s^–1 Mpc^–1 and typical errors of 1–2 km s^–1 Mpc^–1. The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  14. Spaces of constant curvature

    CERN Document Server

    Wolf, Joseph A

    2010-01-01

    This book is the sixth edition of the classic Spaces of Constant Curvature, first published in 1967, with the previous (fifth) edition published in 1984. It illustrates the high degree of interplay between group theory and geometry. The reader will benefit from the very concise treatments of riemannian and pseudo-riemannian manifolds and their curvatures, of the representation theory of finite groups, and of indications of recent progress in discrete subgroups of Lie groups. Part I is a brief introduction to differentiable manifolds, covering spaces, and riemannian and pseudo-riemannian geomet

  15. Thermodynamics parameters for binding of halogenated benzotriazole inhibitors of human protein kinase CK2α.

    Science.gov (United States)

    Winiewska, Maria; Kucińska, Katarzyna; Makowska, Małgorzata; Poznański, Jarosław; Shugar, David

    2015-10-01

    The interaction of human CK2α (hCK2α) with nine halogenated benzotriazoles, TBBt and its analogues representing all possible patterns of halogenation on the benzene ring of benzotriazole, was studied by biophysical methods. Thermal stability of protein-ligand complexes, monitored by calorimetric (DSC) and optical (DSF) methods, showed that the increase in the mid-point temperature for unfolding of protein-ligand complexes (i.e. potency of ligand binding to hCK2α) follow the inhibitory activities determined by biochemical assays. The dissociation constant for the ATP-hCK2α complex was estimated with the aid of microscale thermophoresis (MST) as 4.3±1.8 μM, and MST-derived dissociation constants determined for halogenated benzotriazoles, when converted according to known ATP concentrations, perfectly reconstruct IC50 values determined by the biochemical assays. Ligand-dependent quenching of tyrosine fluorescence, together with molecular modeling and DSC-derived heats of unfolding, support the hypothesis that halogenated benzotriazoles bind in at least two alternative orientations, and those that are efficient hCK2α inhibitors bind in the orientation which TBBt adopts in its complex with maize CK2α. DSC-derived apparent heat for ligand binding (ΔΔHbind) is driven by intermolecular electrostatic interactions between Lys68 and the triazole ring of the ligand, as indicated by a good correlation between ΔΔHbind and ligand pKa. Overall results, additionally supported by molecular modeling, confirm that a balance of hydrophobic and electrostatic interactions contribute predominantly (~40 kJ/mol), relative to possible intermolecular halogen/hydrogen bonding (less than 10 kJ/mol), in binding of halogenated benzotriazoles to the ATP-binding site of hCK2α. This article is part of a Special Issue entitled: Inhibitors of Protein Kinases. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. The sensitivity of the Late Saalian (140 ka) and LGM (21 ka) Eurasian ice sheets to sea surface conditions

    Energy Technology Data Exchange (ETDEWEB)

    Colleoni, Florence [Centro Euro-Mediterraneo per i Cambiamenti Climatici, Bologna (Italy); UJF, CNRS, Laboratoire de Glaciologie et Geophysique de l' Environnement, Saint Martin d' Heres Cedex (France); Stockholm University, Department of Geological Sciences, Stockhlom (Sweden); Liakka, Johan [Stockholm University, Department of Meteorology, Stockholm (Sweden); Krinner, Gerhard; Peyaud, Vincent [UJF, CNRS, Laboratoire de Glaciologie et Geophysique de l' Environnement, Saint Martin d' Heres Cedex (France); Jakobsson, Martin [Stockholm University, Department of Geological Sciences, Stockhlom (Sweden); Masina, Simona [Centro Euro-Mediterraneo per i Cambiamenti Climatici, Istituto Nazionale di Geofisica e Vulcanologia, Bologna (Italy)

    2011-08-15

    This work focuses on the Late Saalian (140 ka) Eurasian ice sheets' surface mass balance (SMB) sensitivity to changes in sea surface temperatures (SST). An Atmospheric General Circulation Model (AGCM), forced with two preexisting Last Glacial Maximum (LGM, 21 ka) SST reconstructions, is used to compute climate at 140 and 21 ka (reference glaciation). Contrary to the LGM, the ablation almost stopped at 140 ka due to the climatic cooling effect from the large ice sheet topography. Late Saalian SST are simulated using an AGCM coupled with a mixed layer ocean. Compared to the LGM, these 140 ka SST show an inter-hemispheric asymmetry caused by the larger ice-albedo feedback, cooling climate. The resulting Late Saalian ice sheet SMB is smaller due to the extensive simulated sea ice reducing the precipitation. In conclusion, SST are important for the stability and growth of the Late Saalian Eurasian ice sheet. (orig.)

  17. The thermodynamic dissociation constants of losartan, paracetamol, phenylephrine and quinine by the regression analysis of spectrophotometric data

    International Nuclear Information System (INIS)

    Meloun, Milan; Syrovy, Tomas; Vrana, Ales

    2005-01-01

    The mixed dissociation constants of four drug acids - losartan, paracetamol, phenylephrine and quinine - at various ionic strengths I of range 0.01 and 1.0 and at temperatures of 25 and 37 deg. C were determined using SPECFIT32 and SQUAD(84) regression analysis of the pH-spectrophotometric titration data. A proposed strategy of efficient experimentation in a dissociation constants determination, followed by a computational strategy for the chemical model with a dissociation constants determination, is presented on the protonation equilibria of losartan. Indices of precise methods predict the correct number of components, and even the presence of minor ones when the data quality is high and the instrumental error is known. Improved identification of the number of species uses the second or third derivative function for some indices, namely when the number of species in the mixture is higher than 3 and when, due to large variations in the indicator values even at logarithmic scale, the indicator curve does not reach an obvious point where the slope changes. The thermodynamic dissociation constant pKaT was estimated by nonlinear regression of {pK a , I} data at 25 and 37 deg. C: for losartan pKa,1T=3.63(1) and 3.57(3), pKa,2T=4.84(1) and 4.80(3), for paracetamol pKa,1T=9.78(1) and 9.65(1), for phenylephrine pKa,1T=9.17(1) and 8.95(1), pKa,2T=10.45(1) and 10.22(1), for quinine pKa,1T=4.25(1) and 4.12(1), pKa,2T=8.72(1) and 8.46(2). Goodness-of-fit tests for various regression diagnostics enabled the reliability of the parameter estimates to be found

  18. The thermodynamic dissociation constants of losartan, paracetamol, phenylephrine and quinine by the regression analysis of spectrophotometric data

    Energy Technology Data Exchange (ETDEWEB)

    Meloun, Milan [Department of Analytical Chemistry, University of Pardubice, 53210 Pardubice (Czech Republic)]. E-mail: milan.meloun@upce.cz; Syrovy, Tomas [Department of Analytical Chemistry, University of Pardubice, 53210 Pardubice (Czech Republic)]. E-mail: tomas.syrovy@upce.cz; Vrana, Ales [IVAX Pharmaceuticals, s.r.o. 74770 Opava (Czech Republic)]. E-mail: ales_vrana@ivax-cr.com

    2005-03-21

    The mixed dissociation constants of four drug acids - losartan, paracetamol, phenylephrine and quinine - at various ionic strengths I of range 0.01 and 1.0 and at temperatures of 25 and 37 deg. C were determined using SPECFIT32 and SQUAD(84) regression analysis of the pH-spectrophotometric titration data. A proposed strategy of efficient experimentation in a dissociation constants determination, followed by a computational strategy for the chemical model with a dissociation constants determination, is presented on the protonation equilibria of losartan. Indices of precise methods predict the correct number of components, and even the presence of minor ones when the data quality is high and the instrumental error is known. Improved identification of the number of species uses the second or third derivative function for some indices, namely when the number of species in the mixture is higher than 3 and when, due to large variations in the indicator values even at logarithmic scale, the indicator curve does not reach an obvious point where the slope changes. The thermodynamic dissociation constant pKaT was estimated by nonlinear regression of {l_brace}pK{sub a}, I{r_brace} data at 25 and 37 deg. C: for losartan pKa,1T=3.63(1) and 3.57(3), pKa,2T=4.84(1) and 4.80(3), for paracetamol pKa,1T=9.78(1) and 9.65(1), for phenylephrine pKa,1T=9.17(1) and 8.95(1), pKa,2T=10.45(1) and 10.22(1), for quinine pKa,1T=4.25(1) and 4.12(1), pKa,2T=8.72(1) and 8.46(2). Goodness-of-fit tests for various regression diagnostics enabled the reliability of the parameter estimates to be found.

  19. Complement receptors type 1 (CR1, CD35) and 2 (CR2, CD21) cooperate in the binding of hydrolyzed complement factor 3 (C3i) to human B lymphocytes

    DEFF Research Database (Denmark)

    Leslie, Robert Graham Quinton; Prodinger, Wolfgang Maria; Nielsen, Claus Henrik

    2003-01-01

    and CR2, operating independently, differed ca. 9-fold (k(1)=193+/-9.4 and 22.2+/-6.0 x 10(3) M(-1)s(-1), respectively). Equilibrium binding of C3i to B lymphocytes was also complex, varying in strength by ca. 13-fold over the C3i concentration range examined. The maximum association constant (K(a, max......)=109+/-27.2 x 10(7) l/mole) was ca. 9- and 6-fold greater, respectively, than those for CR1 or CR2 acting alone (K(a)=13.2+/-5.3 and 18.5+/-3.5 x 10(7) l/mole). The high avidity of the CR1-CR2 complex for C3i is consistent with its rates of C3i uptake and release being determined by CR1 and CR2...

  20. Kinetics of leptin binding to the Q223R leptin receptor.

    Directory of Open Access Journals (Sweden)

    Hans Verkerke

    Full Text Available Studies in human populations and mouse models of disease have linked the common leptin receptor Q223R mutation to obesity, multiple forms of cancer, adverse drug reactions, and susceptibility to enteric and respiratory infections. Contradictory results cast doubt on the phenotypic consequences of this variant. We set out to determine whether the Q223R substitution affects leptin binding kinetics using surface plasmon resonance (SPR, a technique that allows sensitive real-time monitoring of protein-protein interactions. We measured the binding and dissociation rate constants for leptin to the extracellular domain of WT and Q223R murine leptin receptors expressed as Fc-fusion proteins and found that the mutant receptor does not significantly differ in kinetics of leptin binding from the WT leptin receptor. (WT: ka 1.76×106±0.193×106 M-1 s-1, kd 1.21×10-4±0.707×10-4 s-1, KD 6.47×10-11±3.30×10-11 M; Q223R: ka 1.75×106±0.0245×106 M-1 s-1, kd 1.47×10-4±0.0505×10-4 s-1, KD 8.43×10-11±0.407×10-11 M. Our results support earlier findings that differences in affinity and kinetics of leptin binding are unlikely to explain mechanistically the phenotypes that have been linked to this common genetic variant. Future studies will seek to elucidate the mechanism by which this mutation influences susceptibility to metabolic, infectious, and malignant pathologies.

  1. CONCENTRATION DEPENDENCE OF STERN LAYER CAPACITANCES AND SURFACE EQUILIBRIUM CONSTANTS IN SILICA-BASED NANOFLUIDIC CHANNELS

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, J.; Bruus, Henrik

    2010-01-01

    ]. The current models used to describe surface phenomena in nanofluidics can differ by orders of magnitude from experimentally measured values [2]. To mitigate the discrepancies, we hypothesize that the Stern-layer capacitance Cs and the surface equilibrium constants pKa, vary with the composition of the solid...

  2. Un saludo constante

    OpenAIRE

    Salcedo Ortega, Manuela; Pontificia Universidad Javeriana, Cali

    2013-01-01

    La presencia familiar estará siempre en mi vida: Creo que esa unión va más allá de los lazos que creamos en ese primer abrir de ojos del nacimiento pues los lazos se fortalecen con el tiempo. Es que esos lazos van de la genética al riñón y puede que suene muy raro, pero esta es mi enfermedad, la primera y la constante, la que desaparece y reaparece, la heredada y la que cada vez que me saluda, deja su huella. Comenzó hace 16 años. Mis infecciones urinarias fueron el comienzo de muchas maluque...

  3. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Jackson Neal

    2007-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. In the last 20 years, much progress has been made and estimates now range between 60 and 75 km s^-1 Mpc^-1, with most now between 70 and 75 km s^-1 Mpc^-1, a huge improvement over the factor-of-2 uncertainty which used to prevail. Further improvements which gave a generally agreed margin of error of a few percent rather than the current 10% would be vital input to much other interesting cosmology. There are several programmes which are likely to lead us to this point in the next 10 years.

  4. Constant Proportion Portfolio Insurance

    DEFF Research Database (Denmark)

    Jessen, Cathrine

    2014-01-01

    Portfolio insurance, as practiced in 1987, consisted of trading between an underlying stock portfolio and cash, using option theory to place a floor on the value of the position, as if it included a protective put. Constant Proportion Portfolio Insurance (CPPI) is an option-free variation...... on the theme, originally proposed by Fischer Black. In CPPI, a financial institution guarantees a floor value for the “insured” portfolio and adjusts the stock/bond mix to produce a leveraged exposure to the risky assets, which depends on how far the portfolio value is above the floor. Plain-vanilla portfolio...... insurance largely died with the crash of 1987, but CPPI is still going strong. In the frictionless markets of finance theory, the issuer’s strategy to hedge its liability under the contract is clear, but in the real world with transactions costs and stochastic jump risk, the optimal strategy is less obvious...

  5. A Precise Method for Processing Data to Determine the Dissociation Constants of Polyhydroxy Carboxylic Acids via Potentiometric Titration.

    Science.gov (United States)

    Huang, Kaixuan; Xu, Yong; Lu, Wen; Yu, Shiyuan

    2017-12-01

    The thermodynamic dissociation constants of xylonic acid and gluconic acid were studied via potentiometric methods, and the results were verified using lactic acid, which has a known pKa value, as a model compound. Solutions of xylonic acid and gluconic acid were titrated with a standard solution of sodium hydroxide. The determined pKa data were processed via the method of derivative plots using computer software, and the accuracy was validated using the Gran method. The dissociation constants associated with the carboxylic acid group of xylonic and gluconic acids were determined to be pKa 1  = 3.56 ± 0.07 and pKa 1  = 3.74 ± 0.06, respectively. Further, the experimental data showed that the second deprotonation constants associated with a hydroxyl group of each of the two acids were pKa 2  = 8.58 ± 0.12 and pKa 2  = 7.06 ± 0.08, respectively. The deprotonation behavior of polyhydroxy carboxylic acids was altered using various ratios with Cu(II) to form complexes in solution, and this led to proposing a hypothesis for further study.

  6. Onboard Interferometric SAR Processor for the Ka-Band Radar Interferometer (KaRIn)

    Science.gov (United States)

    Esteban-Fernandez, Daniel; Rodriquez, Ernesto; Peral, Eva; Clark, Duane I.; Wu, Xiaoqing

    2011-01-01

    An interferometric synthetic aperture radar (SAR) onboard processor concept and algorithm has been developed for the Ka-band radar interferometer (KaRIn) instrument on the Surface and Ocean Topography (SWOT) mission. This is a mission- critical subsystem that will perform interferometric SAR processing and multi-look averaging over the oceans to decrease the data rate by three orders of magnitude, and therefore enable the downlink of the radar data to the ground. The onboard processor performs demodulation, range compression, coregistration, and re-sampling, and forms nine azimuth squinted beams. For each of them, an interferogram is generated, including common-band spectral filtering to improve correlation, followed by averaging to the final 1 1-km ground resolution pixel. The onboard processor has been prototyped on a custom FPGA-based cPCI board, which will be part of the radar s digital subsystem. The level of complexity of this technology, dictated by the implementation of interferometric SAR processing at high resolution, the extremely tight level of accuracy required, and its implementation on FPGAs are unprecedented at the time of this reporting for an onboard processor for flight applications.

  7. A wave-bending structure at Ka-band using 3D-printed metamaterial

    Science.gov (United States)

    Wu, Junqiang; Liang, Min; Xin, Hao

    2018-03-01

    Three-dimensional printing technologies enable metamaterials of complex structures with arbitrary inhomogeneity. In this work, a 90° wave-bending structure at the Ka-band (26.5-40 GHz) based on 3D-printed metamaterials is designed, fabricated, and measured. The wave-bending effect is realized through a spatial distribution of varied effective dielectric constants. Based on the effective medium theory, different effective dielectric constants are accomplished by special, 3D-printable unit cells, which allow different ratios of dielectric to air at the unit cell level. In contrast to traditional, metallic-structure-included metamaterial designs, the reported wave-bending structure here is all dielectric and implemented by the polymer-jetting technique, which features rapid, low-cost, and convenient prototyping. Both simulation and experiment results demonstrate the effectiveness of the wave-bending structure.

  8. Multi-spectroscopic investigation of the binding interaction of fosfomycin with bovine serum albumin

    Directory of Open Access Journals (Sweden)

    Manjunath D. Meti

    2015-08-01

    Full Text Available The interaction between fosfomycin (FOS and bovine serum albumin (BSA has been investigated effectively by multi-spectroscopic techniques under physiological pH 7.4. FOS quenched the intrinsic fluorescence of BSA via static quenching. The number of binding sites n and observed binding constant KA were measured by the fluorescence quenching method. The thermodynamic parameters ΔG0, ΔH0 and ΔS0 were calculated at different temperatures according to the van’t Hoff equation. The site of binding of FOS in the protein was proposed to be Sudlow’s site I based on displacement experiments using site markers viz. warfarin, ibuprofen and digitoxin. The distance r between the donor (BSA and acceptor (FOS molecules was obtained according to the Förster theory. The effect of FOS on the conformation of BSA was analyzed using synchronous fluorescence spectra (SFS, circular dichroism (CD and 3D fluorescence spectra. A molecular modeling study further confirmed the binding mode obtained by the experimental studies. Keywords: Fosfomycin, Serum albumin, Spectroscopic methods, Synchronous fluorescence, 3D spectra

  9. In vitro DNA binding studies of the sweetening agent saccharin and its copper(II) and zinc(II) complexes.

    Science.gov (United States)

    Icsel, Ceyda; Yilmaz, Veysel T

    2014-01-05

    The interactions of fish sperm DNA (FS-DNA) with the sodium salt of sweetener saccharin (sacH) and its copper and zinc complexes, namely [M(sac)2(H2O)4]·2H2O (M=Cu(II) or Zn(II)) were studied by using UV-Vis titration, fluorometric competition, thermal denaturation, viscosity and gel electrophoresis measurements. The intrinsic binding constants (Kb) obtained from absorption titrations were estimated to be 2.86 (±0.06)×10(4)M(-1) for Na(sac), 6.67 (±0.12)×10(4)M(-1) for Cu-sac and 4.01 (±0.08)×10(4)M(-1) for Zn-sac. The Cu-sac complex binds to FS-DNA via intercalation with a KA value of 50.12 (±0.22)×10(4)M(-1) as evidenced by competitive binding studies with ethidium bromide. Moreover, competition experiments with Hoechst 33258 are indicative of a groove binding mode of Na(sac) and Zn-sac with binding constants of 3.13 (±0.16)×10(4)M(-1) and 5.25 (±0.22)×10(4)M(-1), respectively. The spectroscopic measurements indicate a moderate DNA binding affinity of Na(sac) and its metal complexes. The suggested binding modes are further confirmed by the thermal denaturation and viscosity measurements. In addition, Cu-sac and Zn-sac show weak ability to damage to pBR322 supercoiled plasmid DNA. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria.

    Directory of Open Access Journals (Sweden)

    M Olivia Kim

    2015-10-01

    Full Text Available BACE-1 is the β-secretase responsible for the initial amyloidogenesis in Alzheimer's disease, catalyzing hydrolytic cleavage of substrate in a pH-sensitive manner. The catalytic mechanism of BACE-1 requires water-mediated proton transfer from aspartyl dyad to the substrate, as well as structural flexibility in the flap region. Thus, the coupling of protonation and conformational equilibria is essential to a full in silico characterization of BACE-1. In this work, we perform constant pH replica exchange molecular dynamics simulations on both apo BACE-1 and five BACE-1-inhibitor complexes to examine the effect of pH on dynamics and inhibitor binding properties of BACE-1. In our simulations, we find that solution pH controls the conformational flexibility of apo BACE-1, whereas bound inhibitors largely limit the motions of the holo enzyme at all levels of pH. The microscopic pKa values of titratable residues in BACE-1 including its aspartyl dyad are computed and compared between apo and inhibitor-bound states. Changes in protonation between the apo and holo forms suggest a thermodynamic linkage between binding of inhibitors and protons localized at the dyad. Utilizing our recently developed computational protocol applying the binding polynomial formalism to the constant pH molecular dynamics (CpHMD framework, we are able to obtain the pH-dependent binding free energy profiles for various BACE-1-inhibitor complexes. Our results highlight the importance of correctly addressing the binding-induced protonation changes in protein-ligand systems where binding accompanies a net proton transfer. This work comprises the first application of our CpHMD-based free energy computational method to protein-ligand complexes and illustrates the value of CpHMD as an all-purpose tool for obtaining pH-dependent dynamics and binding free energies of biological systems.

  11. Ka-Band MMIC T/R Module, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This Phase II proposal is presented as the follow on to the Phase I SBIR contract number NNC06CB21C entitled "Ka-band MMIC T/R Module" For active microwave...

  12. Swedbank hüvitab tekitatud kahju ka fondi vahetajatele

    Index Scriptorium Estoniae

    2009-01-01

    Swedbank hüvitab veel enne 2009. aasta lõppu Private Debt Fondi osaku puhasväärtuse alanemise kolmandas kvartalis ning kompensatsiooni saavad ka need kliendid, kes on andnud sisse pensionifondi vahetamise taotluse

  13. NOAA Ship Ka'imimoana Underway Meteorological Data, Quality Controlled

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — NOAA Ship Ka'imimoana Underway Meteorological Data (delayed ~10 days for quality control) are from the Shipboard Automated Meteorological and Oceanographic System...

  14. Deep space propagation experiments at Ka-band

    Science.gov (United States)

    Butman, Stanley A.

    1990-01-01

    Propagation experiments as essential components of the general plan to develop an operational deep space telecommunications and navigation capability at Ka-band (32 to 35 GHz) by the end of the 20th century are discussed. Significant benefits of Ka-band over the current deep space standard X-band (8.4 GHz) are an improvement of 4 to 10 dB in telemetry capacity and a similar increase in radio navigation accuracy. Propagation experiments are planned on the Mars Observer Mission in 1992 in preparation for the Cassini Mission to Saturn in 1996, which will use Ka-band in the search for gravity waves as well as to enhance telemetry and navigation at Saturn in 2002. Subsequent uses of Ka-band are planned for the Solar Probe Mission and the Mars Program.

  15. GPM, DPR Level 2A Ka Precipitation V03

    Data.gov (United States)

    National Aeronautics and Space Administration — The 2AKa algorithm provides precipitation estimates from the Ka radar of the Dual-Frequency Precipitation Radar on the core GPM spacecraft. The product contains two...

  16. Mars Telecommunications Orbiter Ka-band system design and operations

    Science.gov (United States)

    Noreen, Gary; Komarek, Tomas; Diehl, Roger; Shambayati, Shervin; Breidenthal, Julian; Lopez, Saturnino; Jordan, Frank

    2003-01-01

    NASA's Mars Telecommunications Orbiter (MTO) will relay broadband communications from landers, rovers and spacecraft in the vicinity of Mars to Earth. This paper describes the MTO communications system and how the MTO Ka-band system will be operated.

  17. Aeroflot tahab ka ise Moskvast Tallinna lennata / Raimo Poom

    Index Scriptorium Estoniae

    Poom, Raimo

    2011-01-01

    Aeroflot kavatseb suurendada oma rahvusvaheliste reiside hulka umbes veerandi võrra, uute sihtkohtade seas on infoportaali ATO.ru andmeil ka Tallinn. Tallinna lennujaama juhatuse liikme Erik Sakkovi kommentaare

  18. Amobilisasi Sel Bacillus licheniformis KA-08 dalam Menghasilkan Keratinase Termostabil

    Directory of Open Access Journals (Sweden)

    Anthoni Agustien

    2012-10-01

    Full Text Available Isolate local Bacillus licheniformis KA-08 known extracellular thermostable keratinase producers. Scale up of thermostable keratinase production can be with cells immobilized. The objective of the research is to thermostable keratinase production of B. licheniformis KA-08 cells immobilization. Thermostable keratinase activities were determined with modification of Brandelli and Riffel method. Protein concentration of enzyme determined with Lowry method. Immobilization of cells by Ca-alginate matrix with Adinarayana method, alginate concentration and amount of alginate bead effects with Beshay method. The result extracellular thermostable keratinase of B. licheniformis KA-08 cells immobilized was maximum produced at 12 times incubation with activity as 9.25 U/mg. Three percent alginate has optimum activity. Three hundred alginate beads has optimum activity. Cells immobilized ofB. licheniformis KA-08 has scale up of thermostable keratinase activity at 2 times than free cells. Thermostable keratinase produced by cell immobilized was nine cycles.

  19. Under tõi kirjanduse juurde ka Ilvese / Jaanus Kulli

    Index Scriptorium Estoniae

    Kulli, Jaanus, 1955-

    2009-01-01

    Sirje Kiini raamatust "Marie Under : elu, luuletaja identiteet ja teoste vastuvõtt" (Tallinn : Tänapäev, 2009), mille esitlus toimus 10. dets. Kirjanike Majas Tallinnas. Sõnavõtuga esines ka president Toomas Hendrik Ilves

  20. Dual 30 kA, HVDC interrupter test facility

    International Nuclear Information System (INIS)

    Honig, E.M.

    1977-01-01

    A facility to test the capability of switches to interrupt or break dc currents has been operational at LASL for several years. The original facility was upgraded to achieve interruption currents up to 30 kA. A nearly duplicate facility has now been installed. The dual test facility allows independent or parallel operation with a combined capability of 60 kA. The construction, operation, and performance of the facilities are described

  1. Cis→Trans Isomerization of Pro(7) in Oxytocin Regulates Zn(2+) Binding.

    Science.gov (United States)

    Fuller, Daniel R; Glover, Matthew S; Pierson, Nicholas A; Kim, DoYong; Russell, David H; Clemmer, David E

    2016-08-01

    Ion mobility/mass spectrometry techniques are employed to investigate the binding of Zn(2+) to the nine-residue peptide hormone oxytocin (OT, Cys(1)-Tyr(2)-Ile(3)-Gln(4)-Asn(5)-Cys(6)-Pro(7)-Leu(8)-Gly(9)-NH2, having a disulfide bond between Cys(1) and Cys(6) residues). Zn(2+) binding to OT is known to increase the affinity of OT for its receptor [Pearlmutter, A. F., Soloff, M. S.: Characterization of the metal ion requirement for oxytocin-receptor interaction in rat mammary gland membranes. J. Biol. Chem. 254, 3899-3906 (1979)]. In the absence of Zn(2+), we find evidence for two primary OT conformations, which arise because the Cys(6)-Pro(7) peptide bond exists in both the trans- and cis-configurations. Upon addition of Zn(2+), we determine binding constants in water of KA = 1.43 ± 0.24 and 0.42 ± 0.12 μM(-1), for the trans- and cis-configured populations, respectively. The Zn(2+) bound form of OT, having a cross section of Ω = 235 Å(2), has Pro(7) in the trans-configuration, which agrees with a prior report [Wyttenbach, T., Liu, D., Bowers, M. T.: Interactions of the hormone oxytocin with divalent metal ions. J. Am. Chem. Soc. 130, 5993-6000 (2008)], in which it was proposed that Zn(2+) binds to the peptide ring and is further coordinated by interaction of the C-terminal, Pro(7)-Leu(8)-Gly(9)-NH2, tail. The present work shows that the cis-configuration of OT isomerizes to the trans-configuration upon binding Zn(2+). In this way, the proline residue regulates Zn(2+) binding to OT and, hence, is important in receptor binding. Graphical Abstract ᅟ.

  2. Cis→Trans Isomerization of Pro7 in Oxytocin Regulates Zn2+ Binding

    Science.gov (United States)

    Fuller, Daniel R.; Glover, Matthew S.; Pierson, Nicholas A.; Kim, DoYong; Russell, David H.; Clemmer, David E.

    2016-08-01

    Ion mobility/mass spectrometry techniques are employed to investigate the binding of Zn2+ to the nine-residue peptide hormone oxytocin (OT, Cys1-Tyr2-Ile3-Gln4-Asn5-Cys6-Pro7-Leu8-Gly9-NH2, having a disulfide bond between Cys1 and Cys6 residues). Zn2+ binding to OT is known to increase the affinity of OT for its receptor [Pearlmutter, A. F., Soloff, M. S.: Characterization of the metal ion requirement for oxytocin-receptor interaction in rat mammary gland membranes. J. Biol. Chem. 254, 3899-3906 (1979)]. In the absence of Zn2+, we find evidence for two primary OT conformations, which arise because the Cys6-Pro7 peptide bond exists in both the trans- and cis-configurations. Upon addition of Zn2+, we determine binding constants in water of KA = 1.43 ± 0.24 and 0.42 ± 0.12 μM-1, for the trans- and cis-configured populations, respectively. The Zn2+ bound form of OT, having a cross section of Ω = 235 Å2, has Pro7 in the trans-configuration, which agrees with a prior report [Wyttenbach, T., Liu, D., Bowers, M. T.: Interactions of the hormone oxytocin with divalent metal ions. J. Am. Chem. Soc. 130, 5993-6000 (2008)], in which it was proposed that Zn2+ binds to the peptide ring and is further coordinated by interaction of the C-terminal, Pro7-Leu8-Gly9-NH2, tail. The present work shows that the cis-configuration of OT isomerizes to the trans-configuration upon binding Zn2+. In this way, the proline residue regulates Zn2+ binding to OT and, hence, is important in receptor binding.

  3. Theoretical calculations of the relative pKa values of some selected aromatic arsonic acids in water using density functional theory

    Directory of Open Access Journals (Sweden)

    Behzad Khalili

    2016-01-01

    Full Text Available With the focus on calculating the equilibrium constant (Ka of arsonic acids (RAsO(OH2 in aqueous media, the behavior of both neutral and negatively charged species of some arsonic acids have been considered through the isodesmic reaction scheme with polarized continuum model of solvation. The relative pKa values of a number of arsonic acids were calculated using density functional theory (DFT, with methylarsonic acid (CH3AsO(OH2 used as a reference molecule. Various basis sets such as (6-31G(d, 6-31+G(d, 6-311++G(d,p and 6-311++G(2d,2p in conjunction with B3LYP computational method were examined. Finally the latter one was found to give better results. The results of applied B3LYP 6-311++G(2d,2p method for pKa values of 25 arsonic acids in aqueous media showed good agreement with corresponding experimental pKa values. In this level of theory the average error was less than 0.3 pKa units. The type of substituent affected the acid strength, with electron withdrawing substituents lowering the pKa and electron releasing groups increasing it.

  4. Beyond the Hubble Constant

    Science.gov (United States)

    1995-08-01

    about the distances to galaxies and thereby about the expansion rate of the Universe. A simple way to determine the distance to a remote galaxy is by measuring its redshift, calculate its velocity from the redshift and divide this by the Hubble constant, H0. For instance, the measured redshift of the parent galaxy of SN 1995K (0.478) yields a velocity of 116,000 km/sec, somewhat more than one-third of the speed of light (300,000 km/sec). From the universal expansion rate, described by the Hubble constant (H0 = 20 km/sec per million lightyears as found by some studies), this velocity would indicate a distance to the supernova and its parent galaxy of about 5,800 million lightyears. The explosion of the supernova would thus have taken place 5,800 million years ago, i.e. about 1,000 million years before the solar system was formed. However, such a simple calculation works only for relatively ``nearby'' objects, perhaps out to some hundred million lightyears. When we look much further into space, we also look far back in time and it is not excluded that the universal expansion rate, i.e. the Hubble constant, may have been different at earlier epochs. This means that unless we know the change of the Hubble constant with time, we cannot determine reliable distances of distant galaxies from their measured redshifts and velocities. At the same time, knowledge about such change or lack of the same will provide unique information about the time elapsed since the Universe began to expand (the ``Big Bang''), that is, the age of the Universe and also its ultimate fate. The Deceleration Parameter q0 Cosmologists are therefore eager to determine not only the current expansion rate (i.e., the Hubble constant, H0) but also its possible change with time (known as the deceleration parameter, q0). Although a highly accurate value of H0 has still not become available, increasing attention is now given to the observational determination of the second parameter, cf. also the Appendix at the

  5. Determination of the overlapping p Ka values of resorcinol using UV-visible spectroscopy and DFT methods

    Science.gov (United States)

    Blanco, S. E.; Almandoz, M. C.; Ferretti, F. H.

    2005-01-01

    In this paper we determine the overlapping p Ka values of resorcinol in water, applying a UV-Vis spectroscopic method that uses absorbance diagrams. On the other hand, in order to explain the p Ka values obtained, we also investigate the molecular conformations and solute-solvent interactions of the resorcinate anions, using ab initio and density functional theory methods. Several ionization reactions and equilibria in protic solvents, which possess a high hydrogen-bond-donor capability, are proposed. The mentioned reactions and equilibria constituted the indispensable theoretical basis to calculate the acidity constants of resorcinol. Basis sets at the HF/6-31 + G(d) and B3LYP/6-31 + G(d) levels of theory were used for calculations. Tomasi's method was used to analyze the formation of intermolecular hydrogen bonds between the resorcinate anions and water molecules. In this way, it was determined that in alkaline aqueous solutions the monoanion and dianion of resorcinol are solvated with two and four molecules of water, respectively. The agreement between the experimentally determined p Ka values and those reported in the literature demonstrates the applicability and accurateness of the spectroscopic method here used. On the other hand, the agreement between the experimental and theoretically calculated p Ka values provides solid support for the acid-base reactions proposed in this work.

  6. Validity in assessing time processing ability, test equating of KaTid-Child and KaTid-Youth.

    Science.gov (United States)

    Janeslätt, G

    2012-05-01

    There is a need for instruments with acceptable psychometric properties for measuring time management/time processing ability. KaTid-Child (Swedish: Kit for assessing Time processing ability) was developed for children aged 5-10 years. To meet needs of assessing older children, KaTid-Youth was created. The aim of this study was to investigate the validity of KaTid-Youth.   This study investigates the validity of KaTid-Youth using Rasch models: partial credit and common item equating. Results indicate that KaTid-Youth has acceptable psychometric properties and seems to measure the same construct as KaTid-Child. Indications of gender differences in the sample call for further research. The results indicate that time processing ability can be seen as one construct in which time perception, orientation and management can be operationalized as different levels of complexity in time processing ability. Expressions of time processing ability differ at different ages. Thus, early intervention in time perception and time orientation may be needed to promote time management in later childhood. Professionals need to take time processing ability into consideration when meeting children who risk delayed development of daily time management. © 2011 Blackwell Publishing Ltd.

  7. Effect of Temperature on Tolbutamide Binding to Glycated Serum Albumin

    Directory of Open Access Journals (Sweden)

    Agnieszka Szkudlarek

    2017-03-01

    Full Text Available Glycation process occurs in protein and becomes more pronounced in diabetes when an increased amount of reducing sugar is present in bloodstream. Glycation of protein may cause conformational changes resulting in the alterations of its binding properties even though they occur at a distance from the binding sites. The changes in protein properties could be related to several pathological consequences such as diabetic and nondiabetic cardiovascular diseases, cataract, renal dysfunction and Alzheimer’s disease. The experiment was designed to test the impact of glycation process on sulfonylurea drug tolbutamide-albumin binding under physiological (T = 309 K and inflammatory (T = 311 K and T = 313 K states using fluorescence and UV-VIS spectroscopies. It was found in fluorescence analysis experiments that the modification of serum albumin in tryptophanyl and tyrosyl residues environment may affect the tolbutamide (TB binding to albumin in subdomain IIA and/or IIIA (Sudlow’s site I and/or II, and also in subdomains IB and IIB. We estimated the binding of tolbutamide to albumin described by a mixed nature of interaction (specific and nonspecific. The association constants Ka (L∙mol−1 for tolbutamide at its high affinity sites on non-glycated albumin were in the range of 1.98–7.88 × 104 L∙mol−1 (λex = 275 nm, 1.20–1.64 × 104 L∙mol−1 (λex = 295 nm and decreased to 1.24–0.42 × 104 L∙mol−1 at λex = 275 nm (T = 309 K and T = 311 K and increased to 2.79 × 104 L∙mol−1 at λex = 275 nm (T = 313 K and to 4.43–6.61 × 104 L∙mol−1 at λex = 295 nm due to the glycation process. Temperature dependence suggests the important role of van der Waals forces and hydrogen bonding in hydrophobic interactions between tolbutamide and both glycated and non-glycated albumin. We concluded that the changes in the environment of TB binding of albumin in subdomain IIA and/or IIIA as well as in subdomains IB and IIB influence on

  8. Theoretical calculations of the relative pKa values of some selected aromatic arsonic acids in water using density functional theory

    OpenAIRE

    Behzad Khalili; Mehdi Rimaz

    2016-01-01

    With the focus on calculating the equilibrium constant (Ka) of arsonic acids (RAsO(OH)2) in aqueous media, the behavior of both neutral and negatively charged species of some arsonic acids have been considered through the isodesmic reaction scheme with polarized continuum model of solvation. The relative pKa values of a number of arsonic acids were calculated using density functional theory (DFT), with methylarsonic acid (CH3AsO(OH)2) used as a reference molecule. Various basis sets such as (...

  9. A sequential binding mechanism in a PDZ domain

    DEFF Research Database (Denmark)

    Chi, Celestine N; Bach, Anders; Engström, Åke

    2009-01-01

    that ligand binding involves at least a two-step process. By using an ultrarapid continuous-flow mixer, we then detected a hyperbolic dependence of binding rate constants on peptide concentration, corroborating the two-step binding mechanism. Furthermore, we found a similar dependence of the rate constants...

  10. A 130 ka reconstruction of rainfall on the Bolivian Altiplano

    Science.gov (United States)

    Placzek, C. J.; Quade, J.; Patchett, P. J.

    2013-02-01

    New efforts to link climate reconstructions from shoreline deposits and sediment cores yield an improved and more detailed lake history from the Bolivian Altiplano. On the Southern Altiplano, 10 lake oscillations have been identified from this new unified chronology, each coincident with North Atlantic cold events such as Heinrich Events H5, H2, H1, and the Younger Dryas. By coupling this new lake history to a hydrologic budget model we are able to evaluate precipitation variability on the Southern Bolivian Altiplano over the last 130 ka. These modeling efforts underscore the relative aridity of the Altiplano during the rare and small lake cycles occurring between 80 and 20 ka, when colder temperatures combined with little or no change in rainfall produced smaller paleolakes. Relative aridity between 80 and 20 ka contrasts with the immense Tauca lake cycle (18.1-14.1 ka), which was six times larger than modern Lake Titicaca and coincided with Heinrich Event 1. This improved paleolake record from the Southern Altiplano reveals a strong link between central Andean climate and Atlantic sea-surface temperature gradients during the late Pleistocene, even though today rainfall variability is driven mostly by Pacific sea-surface temperature anomalies associated with El Niño/Southern Oscillation. However, not all Heinrich Events appear to result in lake expansions, most conspicuously during the global cold interval between 80 and 20 ka when the Altiplano and Amazon Basin were relatively arid.

  11. L-(TH)glutamate binds to kainate-, NMDA- and AMPA-sensitive binding sites: an autoradiographic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Monaghan, D.T.; Yao, D.; Cotman, C.W.

    1985-08-12

    The anatomical distribution of L-(TH)glutamate binding sites was determined in the presence of various glutamate analogues using quantitative autoradiography. The binding of L-(TH)glutamate is accounted for by the presence of 3 distinct binding sites when measured in the absence of CaS , Cl and Na ions. The anatomical distribution and pharmacological specificity of these binding sites correspond to that reported for the 3 excitatory amino acid binding sites selectively labelled by D-(TH)2-amino-5-phosphonopentanoate (D-(TH)AP5), (TH)kainate ((TH)KA) and (TH) -amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid ((TH)AMPA) which are thought to be selective ligands for the N-methyl-D-aspartate (NMDA), KA and quisqualate (QA) receptors, respectively. (Auth.). 29 refs.; 1 figure; 1 table.

  12. L-[3H]glutamate binds to kainate-, NMDA- and AMPA-sensitive binding sites: an autoradiographic analysis

    International Nuclear Information System (INIS)

    Monaghan, D.T.; Yao, Deborah; Cotman, C.W.

    1985-01-01

    The anatomical distribution of L-[ 3 H]glutamate binding sites was determined in the presence of various glutamate analogues using quantitative autoradiography. The binding of L-[ 3 H]glutamate is accounted for by the presence of 3 distinct binding sites when measured in the absence of Ca 2+ , Cl - and Na + ions. The anatomical distribution and pharmacological specificity of these binding sites correspond to that reported for the 3 excitatory amino acid binding sites selectively labelled by D-[ 3 H]2-amino-5-phosphonopentanoate (D-[ 3 H]AP5), [ 3 H]kainate ([ 3 H]KA) and [ 3 H]α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid ([ 3 H]AMPA) which are thought to be selective ligands for the N-methyl-D-aspartate (NMDA), KA and quisqualate (QA) receptors, respectively. (Auth.)

  13. Experimental determination of net protein charge and A(tot) and K(a) of nonvolatile buffers in canine plasma.

    Science.gov (United States)

    Constable, Peter D; Stämpfli, Henry R

    2005-01-01

    Acid-base abnormalities frequently are present in sick dogs. The mechanism for an acid-base disturbance can be determined with the simplified strong ion approach, which requires accurate values for the total concentration of plasma nonvolatile buffers (A(tot)) and the effective dissociation constant for plasma weak acids (K(a)). The aims of this study were to experimentally determine A(tot) and K(a) values for canine plasma. Plasma was harvested from 10 healthy dogs; the concentrations of quantitatively important strong ions (Na+, K+, Ca2+, Mg2+, Cl-, L-lactate) and nonvolatile buffer ions (total protein, albumin, phosphate) were determined; and the plasma was tonometered with CO2 at 37 degrees C. Strong ion difference (SID) was calculated from the measured strong ion concentrations, and nonlinear regression was used to estimate values for A(tot) and K(a), which were validated with data from an in vitro and in vivo study. Mean (+/- SD) values for canine plasma were A(tot) = (17.4 +/- 8.6) mM (equivalent to 0.273 mmol/g of total protein or 0.469 mmol/g of albumin); K(a) = (0.17 +/- 0.11) x 10(-7); pK(a) = 7.77. The calculated SID for normal canine plasma (pH = 7.40; P(CO2) = 37 mm Hg; [total protein] = 64 g/L) was 27 mEq/L. The net protein charge for normal canine plasma was 0.25 mEq/g of total protein or 0.42 mEq/g of albumin. Application of the experimentally determined values for A(tot), K(a), and net protein charge should improve understanding of the mechanism for complex acid-base disturbances in dogs.

  14. Experimental determination of net protein charge, [A]tot, and Ka of nonvolatile buffers in bird plasma.

    Science.gov (United States)

    Stämpfli, Henry; Taylor, Michael; McNicoll, Carl; Gancz, Ady Y; Constable, Peter D

    2006-06-01

    The quantitative mechanistic acid-base approach to clinical assessment of acid-base status requires species-specific values for [A]tot (the total concentration of nonvolatile buffers in plasma) and Ka (the effective dissociation constant for weak acids in plasma). The aim of this study was to determine [A]tot and Ka values for plasma in domestic pigeons. Plasma from 12 healthy commercial domestic pigeons was tonometered with 20% CO2 at 37 degrees C. Plasma pH, Pco2, and plasma concentrations of strong cations (Na, K, Ca), strong anions (Cl, L-lactate), and nonvolatile buffer ions (total protein, albumin, phosphate) were measured over a pH range of 6.8-7.7. Strong ion difference (SID) (SID5=Na+K+Ca-Cl-lactate) was used to calculate [A]tot and Ka from the measured pH and Pco2 and SID5. Mean (+/-SD) values for bird plasma were as follows: [A]tot=7.76+/-2.15 mmol/l (equivalent to 0.32 mmol/g of total protein, 0.51 mmol/g of albumin, 0.23 mmol/g of total solids); Ka=2.15+/-1.15x10(-7); and pKa=6.67. The net protein charge at normal pH (7.43) was estimated to be 6 meq/l; this value indicates that pigeon plasma has a much lower anion gap value than mammals after adjusting for high mean L-lactate concentrations induced by restraint during blood sampling. This finding indicates that plasma proteins in pigeons have a much lower net anion charge than mammalian plasma protein. An incidental finding was that total protein concentration measured by a multianalyzer system was consistently lower than the value for total solids measured by refractometer.

  15. Towards radiocarbon calibration beyond 28 ka using speleothems from the Bahamas

    Science.gov (United States)

    Hoffmann, Dirk L.; Beck, J. Warren; Richards, David A.; Smart, Peter L.; Singarayer, Joy S.; Ketchmark, Tricia; Hawkesworth, Chris J.

    2010-01-01

    We present a new speleothem record of atmospheric Δ 14C between 28 and 44 ka that offers considerable promise for resolving some of the uncertainty associated with existing radiocarbon calibration curves for this time period. The record is based on a comprehensive suite of AMS 14C ages, using new low-blank protocols, and U-Th ages using high precision MC-ICPMS procedures. Atmospheric Δ 14C was calculated by correcting 14C ages with a constant dead carbon fraction (DCF) of 22.7 ± 5.9%, based on a comparison of stalagmite 14C ages with the IntCal04 ( Reimer et al., 2004) calibration curve between 15 and 11 ka. The new Δ 14C speleothem record shows similar structure and amplitude to that derived from Cariaco Basin foraminifera (Hughen et al., 2004, 2006), and the match is further improved if the latter is tied to the most recent Greenland ice core chronology ( Svensson et al., 2008). These data are however in conflict with a previously published 14C data set for a stalagmite record from the Bahamas — GB-89-24-1 ( Beck et al., 2001), which likely suffered from 14C analytical blank subtraction issues in the older part of the record. The new Bahamas speleothem ∆ 14C data do not show the extreme shifts between 44 and 40 ka reported in the previous study ( Beck et al., 2001). Causes for the observed structure in derived atmospheric Δ 14C variation based on the new speleothem data are investigated with a suite of simulations using an earth system model of intermediate complexity. Data-model comparison indicates that major fluctuations in atmospheric ∆ 14C during marine isotope stage 3 is primarily a function of changes in geomagnetic field intensity, although ocean-atmosphere system reorganisation also played a supporting role.

  16. The Benefits of the Ka-Band as Evidenced from the SARAL/AltiKa Altimetric Mission: Scientific Applications

    Directory of Open Access Journals (Sweden)

    Jacques Verron

    2018-01-01

    Full Text Available The India–France SARAL/AltiKa mission is the first Ka-band altimetric mission dedicated primarily to oceanography. The mission objectives were firstly the observation of the oceanic mesoscales but also global and regional sea level monitoring, including the coastal zone, data assimilation, and operational oceanography. SARAL/AltiKa proved also to be a great opportunity for inland waters applications, for observing ice sheet or icebergs, as well as for geodetic investigations. The mission ended its nominal phase after three years in orbit and began a new phase (drifting orbit in July 2016. The objective of this paper is to highlight some of the most remarkable achievements of the SARAL/AltiKa mission in terms of scientific applications. Compared to the standard Ku-band altimetry measurements, the Ka-band provides substantial improvements in terms of spatial resolution and data accuracy. We show here that this leads to remarkable advances in terms of observation of the mesoscale and coastal ocean, waves, river water levels, ice sheets, icebergs, fine scale bathymetry features as well as for the many related applications.

  17. The Determination of "Apparent" pKa's. Part II: An Experiment Using Very Weak Acids (pKa's > 11.4).

    Science.gov (United States)

    Cawley, John J.

    1995-01-01

    Presents an experiment designed to show students that the Henderson-Hasselbalch equation will fail when they use this particular one-half titration technique for acids with large pKa's. Involves determining the apparent pKa for such acids and using that to calculate the true pKa. (JRH)

  18. Quench Propagation in the Superconducting 6 kA Flexible Busbars of the LHC

    CERN Document Server

    Calvi, M; Pelegrin-Carcelen, J M; Sonnemann, F

    2002-01-01

    Flexible superconducting cables with currents up to 6 kA will be used to power magnets individually in the insertion regions of the LHC. In case of a quench, the currents in these circuits will decay very fast (with time constants of about 200 ms) such that relatively small copper cross sections are sufficient for these busbars. Quench propagation experiments on a prototype cable and corresponding simulations led to a detailed understanding of the quench behavior of these busbars and to recommendations for the design and application of the cable. Simulations of the quench process in a multi-strand conductor led to a detailed understanding of the way current crosses from superconducting to pure copper strands and how this affects the quench propagation velocity. At nominal current (6 kA), the quench propagation velocities are high (10 m/s) and the hot spot temperature increases rapidly. In this situation, timely quench detection and energy extraction (current reduction) are vital to prevent damage of circuit c...

  19. Ferroelectric switch for a high-power Ka-band active pulse compressor

    Energy Technology Data Exchange (ETDEWEB)

    Hirshfield, Jay L. [Omega-P, Inc., New Haven, CT (United States)

    2013-12-18

    Results are presented for design of a high-power microwave switch for operation at 34.3 GHz, intended for use in an active RF pulse compressor. The active element in the switch is a ring of ferroelectric material, whose dielectric constant can be rapidly changed by application of a high-voltage pulse. As envisioned, two of these switches would be built into a pair of delay lines, as in SLED-II at SLAC, so as to allow 30-MW μs-length Ka-band pulses to be compressed in time by a factor-of-9 and multiplied in amplitude to generate 200 MW peak power pulses. Such high-power pulses could be used for testing and evaluation of high-gradient mm-wave accelerator structures, for example. Evaluation of the switch design was carried out with an X-band (11.43 GHz) prototype, built to incorporate all the features required for the Ka-band version.

  20. Spectrophotometric determination of association constant

    DEFF Research Database (Denmark)

    2016-01-01

    Least-squares 'Systematic Trial-and-Error Procedure' (STEP) for spectrophotometric evaluation of association constant (equilibrium constant) K and molar absorption coefficient E for a 1:1 molecular complex, A + B = C, with error analysis according to Conrow et al. (1964). An analysis of the Charg...

  1. Ipomoelin, a jacalin-related lectin with a compact tetrameric association and versatile carbohydrate binding properties regulated by its N terminus.

    Science.gov (United States)

    Chang, Wei-Chieh; Liu, Kai-Lun; Hsu, Fang-Ciao; Jeng, Shih-Tong; Cheng, Yi-Sheng

    2012-01-01

    Many proteins are induced in the plant defense response to biotic stress or mechanical wounding. One group is lectins. Ipomoelin (IPO) is one of the wound-inducible proteins of sweet potato (Ipomoea batatas cv. Tainung 57) and is a Jacalin-related lectin (JRL). In this study, we resolved the crystal structures of IPO in its apo form and in complex with carbohydrates such as methyl α-D-mannopyranoside (Me-Man), methyl α-D-glucopyranoside (Me-Glc), and methyl α-D-galactopyranoside (Me-Gal) in different space groups. The packing diagrams indicated that IPO might represent a compact tetrameric association in the JRL family. The protomer of IPO showed a canonical β-prism fold with 12 strands of β-sheets but with 2 additional short β-strands at the N terminus. A truncated IPO (ΔN10IPO) by removing the 2 short β-strands of the N terminus was used to reveal its role in a tetrameric association. Gel filtration chromatography confirmed IPO as a tetrameric form in solution. Isothermal titration calorimetry determined the binding constants (K(A)) of IPO and ΔN10IPO against various carbohydrates. IPO could bind to Me-Man, Me-Glc, and Me-Gal with similar binding constants. In contrast, ΔN10IPO showed high binding ability to Me-Man and Me-Glc but could not bind to Me-Gal. Our structural and functional analysis of IPO revealed that its compact tetrameric association and carbohydrate binding polyspecificity could be regulated by the 2 additional N-terminal β-strands. The versatile carbohydrate binding properties of IPO might play a role in plant defense.

  2. Ipomoelin, a Jacalin-Related Lectin with a Compact Tetrameric Association and Versatile Carbohydrate Binding Properties Regulated by Its N Terminus

    Science.gov (United States)

    Chang, Wei-Chieh; Liu, Kai-Lun; Hsu, Fang-Ciao; Jeng, Shih-Tong; Cheng, Yi-Sheng

    2012-01-01

    Many proteins are induced in the plant defense response to biotic stress or mechanical wounding. One group is lectins. Ipomoelin (IPO) is one of the wound-inducible proteins of sweet potato (Ipomoea batatas cv. Tainung 57) and is a Jacalin-related lectin (JRL). In this study, we resolved the crystal structures of IPO in its apo form and in complex with carbohydrates such as methyl α-D-mannopyranoside (Me-Man), methyl α-D-glucopyranoside (Me-Glc), and methyl α-D-galactopyranoside (Me-Gal) in different space groups. The packing diagrams indicated that IPO might represent a compact tetrameric association in the JRL family. The protomer of IPO showed a canonical β-prism fold with 12 strands of β-sheets but with 2 additional short β-strands at the N terminus. A truncated IPO (ΔN10IPO) by removing the 2 short β-strands of the N terminus was used to reveal its role in a tetrameric association. Gel filtration chromatography confirmed IPO as a tetrameric form in solution. Isothermal titration calorimetry determined the binding constants (KA) of IPO and ΔN10IPO against various carbohydrates. IPO could bind to Me-Man, Me-Glc, and Me-Gal with similar binding constants. In contrast, ΔN10IPO showed high binding ability to Me-Man and Me-Glc but could not bind to Me-Gal. Our structural and functional analysis of IPO revealed that its compact tetrameric association and carbohydrate binding polyspecificity could be regulated by the 2 additional N-terminal β-strands. The versatile carbohydrate binding properties of IPO might play a role in plant defense. PMID:22808208

  3. Multi-Step Ka/Ka Dichroic Plate with Rounded Corners for NASA's 34m Beam Waveguide Antenna

    Science.gov (United States)

    Veruttipong, Watt; Khayatian, Behrouz; Hoppe, Daniel; Long, Ezra

    2013-01-01

    A multi-step Ka/Ka dichroic plate Frequency Selective Surface (FSS structure) is designed, manufactured and tested for use in NASA's Deep Space Network (DSN) 34m Beam Waveguide (BWG) antennas. The proposed design allows ease of manufacturing and ability to handle the increased transmit power (reflected off the FSS) of the DSN BWG antennas from 20kW to 100 kW. The dichroic is designed using HFSS and results agree well with measured data considering the manufacturing tolerances that could be achieved on the dichroic.

  4. SAD phasing with in-house cu Ka radiation using barium as anomalous scatterer.

    Science.gov (United States)

    Dhanasekaran, V; Velmurugan, D

    2011-12-01

    Phasing of lysozyme crystals using co-crystallized barium ions was performed using single-wavelength anomalous diffraction (SAD) method using Cu Ka radiation with in-house source of data collection. As the ion binding sites vary with respect to the pH of the buffer during crystallization, the highly isomorphic forms of lysozyme crystals grown at acidic and alkaline pH were used for the study. Intrinsic sulphur anomalous signal was also utilized with anomalous signal from lower occupancy ions for phasing. The study showed that to solve the structure by SAD technique, 2.8-fold data redundancy was sufficient when barium was used as an anomalous marker in the in-house copper X-ray radiation source for data collection. Therefore, co-crystallization of proteins with barium containing salt can be a powerful tool for structure determination using lab source.

  5. Spectrophotometric determination of pKa values for fluorescein ...

    African Journals Online (AJOL)

    Spectrophotometric determination of pKa values for fluorescein using activity coefficient corrections. SA Smith, WA Pretorius. Abstract. The absorbance of the organic water tracer compound fluorescein is known to be pH dependent but differences between the reported PKa values make it difficult to predict these absorbance ...

  6. Kas läheb ka Ruudi tapmiseks? / Kati Murutar

    Index Scriptorium Estoniae

    Murutar, Kati, 1967-

    2006-01-01

    Lastefilm "Ruudi" : stsenaristid Katrin Laur, Aare Toikka, Aarne Mägi : režissöör Katrin Laur : nimiosas lapsnäitleja Paul Oskar Soe : Allfilm - MRP Matila Röhr Productions - Schmidtz Katze Filmkollektiv 2006. Võetud kõne alla ka Peeter Simmi "Kõrini!" ja Peeter Urbla "Stiilipeo" arvustaja meelest teenimatult mahategevad retsensioonid

  7. GASTROPODS IN THE BASIN OF THE RIVER FOJNIČKA

    Directory of Open Access Journals (Sweden)

    Asia Čičić-Močić

    2008-07-01

    Full Text Available The first detailed investigation of Gastropods in the basin of river Fojnička has been carried out in 2001–2002. The material has been sampled five times during four seasons (October 2001–September 2002 at 11 sites in the following waterways: the rivers Fojnička, Dragača, Željeznica, Kreševka and Lepenica. Measurement of certain physical and chemical parameters (BOD5, water temperature, pH value, amount of dissolved oxygen, saturation with oxygen and one time measurement of concentration of nitrates and phosphates has been carried out together with collecting of macroinvertebrates of zoobenthos. Since the knowledge of biodiversity of Gastropods in Bosnia and Herzegovina is at the very low level, the main objective of this paper is to give an overview of distribution of Gastropods communities in the Fojnička river basin. In these investigations, 11 taxa of Gastropods and 1468 individuals have been determined. The Gastropods made 16% of total settlement of macroinvertebrates of zoobenthos. Dominant species at investigated sites was Ancylus fluviatilis, while species Acicula sp., Saxurinator sp. and Valvata piscinalis were just sporadically recorded. The largest number of individuals (657 and largest number of species (eight was recorded at the mouth of the river Fojnička into the river Bosna.

  8. Che legend elab ka 40 aastat hiljem / Evelyn Kaldoja

    Index Scriptorium Estoniae

    Kaldoja, Evelyn, 1980-

    2007-01-01

    Ilmunud ka: Postimees : na russkom jazõke 9. okt. lk. 10. Argentinas sündinud ja 1967. aastal hukatud revolutsionääri Ernesto Che Guevara poliitikukarjäärist, tema panusest Kuuba revolutsiooni ja poliitikasse. Ernesto Che Guevara mälestamisest Ladina-Ameeerika riikides. Lisa: Kuuba revolutsioon; Che Guevara elu

  9. "7 vaprat" ei lõpeta ka suvel / H. S.

    Index Scriptorium Estoniae

    H. S.

    2002-01-01

    Populaarne muusikaedetabelisaade "7 vaprat" läheb juunis ansamblitega Terminaator, Tuberkuloited, No Big Silence, Blacky, Speed Free ja Hell Can Wait suvetuurile. 11. juunil antakse kontsert Tartus, 12. juunil Rakveres, 13. juunil Pärnus ja 15. juunil Tallinnas. Kontsertidest valmivad ka telesaated, saatejuht Villu Tamme

  10. Ka-Band Klystron Amplifier for CUBESATs, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose a Ka-Band klystron amplifier for use in CubeSats. It will operate at 35.7 GHz, have 400 MHz of bandwidth, and output at least 32 watts of saturated power....

  11. Effects of atmospheric scintillation in Ka-band satellite communications

    Science.gov (United States)

    Borgsmiller, Scott A.

    This research is motivated by the need to characterize the effects of atmospheric scintillation on Ka-band satellite communications. The builders of satellite communications systems are planning to utilize Ka-band in more than a dozen systems that have been proposed for launch in the next decade. The NASA ACTS (Advanced Communication Technology Satellite) program has provided a means to investigate the problems associated with Ka-band satellite transmissions. Experimental measurements have been conducted using a very small aperture terminal (VSAT) to evaluate the effects of scintillation on narrowband and wideband signals. The theoretical background of scintillation theory is presented, noting especially the additional performance degradation predicted for wideband Ka-band systems using VSATs. Experimental measurements of the amplitude and phase variations in received narrowband carrier signals were performed, using beacon signals transmitted by ACTS and carrier signals which are relayed through the satellite. Measured amplitude and phase spectra have been compared with theoretical models to establish the presence of scintillation. Measurements have also been performed on wideband spread spectrum signals which are relayed through ACTS to determine the bit-error rate degradation of the digital signal resulting from scintillation effects. The theory and measurements presented for the geostationary ACTS have then been applied to a low-earth orbiting satellite system, by extrapolating the effects of the moving propagation path on scintillation.

  12. Tõnu Talve "Ka" tuuritab Kadrinas ja Rakveres / Ants Juske

    Index Scriptorium Estoniae

    Juske, Ants, 1956-2016

    2005-01-01

    Tõnu Talve maalidest. Kadrinas esitatud trio Fragile performance'st ja näitusest tsüklist "Ka" Rakveres. Rakvere näitusel Teele Tuuna ja kolmeaastase tütre Anneliise tööd. Trio Fragile koosseisus on kitarrist Robert Jürjendal, trummar Arvo Urb ja maalija Tõnu Talve

  13. Improvisatsioonilised filmietendus-kontserdid "Kas kino ka saab?"

    Index Scriptorium Estoniae

    2006-01-01

    Eesti Ajaloomuuseumi ja Eesti Film 100 poolt Suurgildi hoones korraldatud koostöönäitust "Elavad ja laulvad pildid" täiendab filmietenduste-kontsertide sari "Kas kino ka saab?", kus täna on kinoklassiku Georges Meliesi (1861-1938) filmiprogramm Jaak Lõhmuse kommenteeriva sõnavõtuga

  14. Ehitusala tõus jätkus ka mullu

    Index Scriptorium Estoniae

    2004-01-01

    Ilmunud ka: Delovõje Vedomosti, 3. nov. 2004, lk. 14-15. Ehitusfirmade TOP 95 aastal 2003. Kasumi TOP 40. Käibe TOP 40. TOP-i koostamise metoodika. Kasumi kasvu TOP 20. Käibe kasvu TOP 20. Omakapitali tootluse TOP 20. Rentaabluse TOP 20. Ehitusettevõtete üld- ja finantsandmed

  15. Euroopa Liit lubab toetada Afganistani ka tulevikus heldelt / Ahto Lobjakas

    Index Scriptorium Estoniae

    Lobjakas, Ahto, 1970-

    2005-01-01

    Euroopa Komisjoni president Jose Manuel Barroso ja Euroopa Liidu ühise välispoliitika peakoordinaator Javier Solana lubasid Afganistani presidendile Hamid Karzaile, et Euroopa Liit jätkab kestva välisabi osutamist riigile ka peale parlamendivalimiste toimumist septembris

  16. A thermally switched 9 kA superconducting rectifier fluxpump

    NARCIS (Netherlands)

    ten Kate, Herman H.J.; Bunk, Paul B.; Steffens, Harry A.; van de Klundert, Louis J.M.

    1981-01-01

    The feasibility of superconducting rectifier-fluxpumps has to be demonstrated at current levels of 10 - 100 kA, where is asked for in the superconducting devices now being planned. An intensive program has been started at the low temperature division of the University of Twente to construct such

  17. Arvab ka ehk mõtleb nii / Ave Alavainu

    Index Scriptorium Estoniae

    Alavainu, Ave, 1942-

    2003-01-01

    Ave Alavainu arutleb selle üle, mida peale hakata laguneva Patareiga Hiiumaal. Vt. ka artikleid "Viimast päeva", Hiiumaa, 5. juuli 2003, lk. 1 ja "Kodukootud rahvahääletusest", Hiiu Leht, 8. juuli 2003, lk. 2

  18. Additive manufacturing of Ka-band antennas for wireless communications

    DEFF Research Database (Denmark)

    Armendariz, Unai; Rommel, Simon; Rodríguez Páez, Juan Sebastián

    2016-01-01

    This paper presents the design and fabrication of WR-28 waveguide horn antennas operating in the Ka-band frequency range between 26.5 GHz and 40 GHz through 3D printing. Three different antennas are fabricated from polylactide acid filaments in conductive and non-conductive variants; the latter i...

  19. Computation of pH-Dependent Binding Free Energies

    Science.gov (United States)

    Kim, M. Olivia; McCammon, J. Andrew

    2015-01-01

    Protein-ligand binding accompanies changes in the surrounding electrostatic environments of the two binding partners and may lead to changes in protonation upon binding. In cases where the complex formation results in a net transfer of protons, the binding process is pH-dependent. However, conventional free energy computations or molecular docking protocols typically employ fixed protonation states for the titratable groups in both binding partners set a priori, which are identical for the free and bound states. In this review, we draw attention to these important yet largely ignored binding-induced protonation changes in protein-ligand association by outlining physical origins and prevalence of the protonation changes upon binding. Following a summary of various theoretical methods for pKa prediction, we discuss the theoretical framework to examine the pH dependence of protein-ligand binding processes. PMID:26202905

  20. Circular dichroism and absorption spectroscopic data reveal binding of the natural cis-carotenoid bixin to human alpha1-acid glycoprotein.

    Science.gov (United States)

    Zsila, Ferenc; Molnár, Péter; Deli, József; Lockwood, Samuel F

    2005-08-01

    Using circular dichroism (CD) and electronic absorption spectroscopy techniques, interaction of the natural dietary cis-carotenoid bixin with an important human plasma protein in vitro was demonstrated for the first time. The induced CD spectra of bixin obtained under physiological conditions (pH 7.4, 37 degrees C) revealed its binding to the serum acute-phase reactant alpha(1)-acid glycoprotein (AGP), a member of the lipocalin protein family. Spectral features of the extrinsic Cotton effects of bixin suggested the inclusion of a single, chirally distorted ligand molecule into the asymmetric protein environment. Compared with the absorption spectra obtained in ethanol and benzene, the strong red shift of the main absorption peak of AGP-bound bixin indicated that the proposed binding site was rich in aromatic residues, and also suggested that hydrophobic interactions were involved in the binding. Using the data obtained from the CD titration experiments, the association constant (Ka=4.5x10(5)M-1) and stoichiometry of the binding (0.15) were calculated. The low value of the stoichiometry was attributed to the structural polymorphism of AGP. To the authors' knowledge, the current study represents the first human lipocalin protein for which carotenoid binding affinity has been explored in vitro with these techniques.

  1. Determination of Rate Constants and Equilibrium Constants for Solution-Phase Drug–Protein Interactions by Ultrafast Affinity Extraction

    Science.gov (United States)

    2015-01-01

    A method was created on the basis of ultrafast affinity extraction to determine both the dissociation rate constants and equilibrium constants for drug–protein interactions in solution. Human serum albumin (HSA), an important binding agent for many drugs in blood, was used as both a model soluble protein and as an immobilized binding agent in affinity microcolumns for the analysis of free drug fractions. Several drugs were examined that are known to bind to HSA. Various conditions to optimize in the use of ultrafast affinity extraction for equilibrium and kinetic studies were considered, and several approaches for these measurements were examined. The dissociation rate constants obtained for soluble HSA with each drug gave good agreement with previous rate constants reported for the same drugs or other solutes with comparable affinities for HSA. The equilibrium constants that were determined also showed good agreement with the literature. The results demonstrated that ultrafast affinity extraction could be used as a rapid approach to provide information on both the kinetics and thermodynamics of a drug–protein interaction in solution. This approach could be extended to other systems and should be valuable for high-throughput drug screening or biointeraction studies. PMID:24911267

  2. Insulin binding to erythrocytes after acute 16-methyleneprednisolone ingestion.

    Science.gov (United States)

    Dwenger, A; Holle, W; Zick, R; Trautschold, I

    1982-10-01

    The binding of [125I]insulin to erythrocytes, glucose and insulin were determined before and 1, 7 and 35 days after ingestion of 2 X 60-methyleneprednisolone. None of two groups of volunteers (7 males, 4 females showed clear alterations of the insulin binding parameters (Ka and R0), or of the fasting cortisol, glucose and insulin concentrations. These results exclude the possibility that the diabetogenic effect of glucocorticoides is accompanied by an alteration of the insulin receptor characteristics of erythrocytes.

  3. Varying Constants, Gravitation and Cosmology.

    Science.gov (United States)

    Uzan, Jean-Philippe

    2011-01-01

    Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  4. Varying Constants, Gravitation and Cosmology

    Directory of Open Access Journals (Sweden)

    Jean-Philippe Uzan

    2011-03-01

    Full Text Available Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  5. Binding of chloroquine to ionic micelles: Effect of pH and micellar surface charge

    Energy Technology Data Exchange (ETDEWEB)

    Souza Santos, Marcela de, E-mail: marcelafarmausp77@gmail.com [Departamento de Física e Química, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café, s/n, Ribeirão Preto, São Paulo 14040-903 (Brazil); Perpétua Freire de Morais Del Lama, Maria, E-mail: mpemdel@fcfrp.usp.br [Departamento de Física e Química, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café, s/n, Ribeirão Preto, São Paulo 14040-903 (Brazil); Instituto Nacional de Ciência e Tecnologia de Bioanalítica, Departamento de Química Analítica, Universidade Estadual de Campinas, Cidade Universitária Zeferino Vaz, s/n, Campinas, São Paulo 13083-970 (Brazil); Siuiti Ito, Amando, E-mail: amandosi@ffclrp.usp.br [Departamento de Física, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Avenida Bandeirantes, 3900, Ribeirão Preto, São Paulo 14040-901 (Brazil); and others

    2014-03-15

    The pharmacological action of chloroquine relies on its ability to cross biological membranes in order to accumulate inside lysosomes. The present work aimed at understanding the basis for the interaction between different chloroquine species and ionic micelles of opposite charges, the latter used as a simple membrane model. The sensitivity of absorbance and fluorescence of chloroquine to changes in its local environment was used to probe its interaction with cetyltrimethylammonium micelles presenting bromide (CTAB) and sulfate (CTAS) as counterions, in addition to dodecyl sulfate micelles bearing sodium (SDS) and tetramethylammonium (TMADS) counterions. Counterion exchange was shown to have little effect on drug–micelle interaction. Chloroquine first dissociation constant (pKa{sub 1}) shifted to opposite directions when anionic and cationic micelles were compared. Chloroquine binding constants (K{sub b}) revealed that electrostatic forces mediate charged drug–micelle association, whereas hydrophobic interactions allowed neutral chloroquine to associate with anionic and cationic micelles. Fluorescence quenching studies indicated that monoprotonated chloroquine is inserted deeper into the micelle surface of anionic micelles than its neutral form, the latter being less exposed to the aqueous phase when associated with cationic over anionic assemblies. The findings provide further evidence that chloroquine–micelle interaction is driven by a tight interplay between the drug form and the micellar surface charge, which can have a major effect on the drug biological activity. -- Highlights: • Chloroquine (CQ) pKa{sub 1} increased for SDS micelles and decreased for CTAB micelles. • CQ is solubilized to the surface of both CTAB and SDS micelles. • Monoprotonated CQ is buried deeper into SDS micelles than neutral CQ. • Neutral CQ is less exposed to aqueous phase in CTAB over SDS micelles. • Local pH and micellar surface charge mediate interaction of CQ with

  6. Protein binding of psychotropic agents

    International Nuclear Information System (INIS)

    Hassan, H.A.

    1990-01-01

    Based upon fluorescence measurements, protein binding of some psychotropic agents (chlorpromazine, promethazine, and trifluoperazine) to human IgG and HSA was studied in aqueous cacodylate buffer, PH7. The interaction parameters determined from emission quenching of the proteins. The interaction parameters determined include the equilibrium constant (K), calculated from equations derived by Borazan and coworkers, the number of binding sites (n) available to the monomer molecules on a single protein molecule. The results revealed a high level of affinity, as reflected by high values of K, and the existence of specific binding sites, since a limited number of n values are obtained. 39 tabs.; 37 figs.; 83 refs

  7. From the Rydberg constant to the fundamental constants metrology

    International Nuclear Information System (INIS)

    Nez, F.

    2005-06-01

    This document reviews the theoretical and experimental achievements of the author since the beginning of his scientific career. This document is dedicated to the spectroscopy of hydrogen, deuterium and helium atoms. The first part is divided into 6 sub-sections: 1) the principles of hydrogen spectroscopy, 2) the measurement of the 2S-nS/nD transitions, 3) other optical frequency measurements, 4) our contribution to the determination of the Rydberg constant, 5) our current experiment on the 1S-3S transition, 6) the spectroscopy of the muonic hydrogen. Our experiments have improved the accuracy of the Rydberg Constant by a factor 25 in 15 years and we have achieved the first absolute optical frequency measurement of a transition in hydrogen. The second part is dedicated to the measurement of the fine structure constant and the last part deals with helium spectroscopy and the search for optical references in the near infrared range. (A.C.)

  8. Constant fields and constant gradients in open ionic channels.

    Science.gov (United States)

    Chen, D P; Barcilon, V; Eisenberg, R S

    1992-05-01

    Ions enter cells through pores in proteins that are holes in dielectrics. The energy of interaction between ion and charge induced on the dielectric is many kT, and so the dielectric properties of channel and pore are important. We describe ionic movement by (three-dimensional) Nemst-Planck equations (including flux and net charge). Potential is described by Poisson's equation in the pore and Laplace's equation in the channel wall, allowing induced but not permanent charge. Asymptotic expansions are constructed exploiting the long narrow shape of the pore and the relatively high dielectric constant of the pore's contents. The resulting one-dimensional equations can be integrated numerically; they can be analyzed when channels are short or long (compared with the Debye length). Traditional constant field equations are derived if the induced charge is small, e.g., if the channel is short or if the total concentration gradient is zero. A constant gradient of concentration is derived if the channel is long. Plots directly comparable to experiments are given of current vs voltage, reversal potential vs. concentration, and slope conductance vs. concentration. This dielectric theory can easily be tested: its parameters can be determined by traditional constant field measurements. The dielectric theory then predicts current-voltage relations quite different from constant field, usually more linear, when gradients of total concentration are imposed. Numerical analysis shows that the interaction of ion and channel can be described by a mean potential if, but only if, the induced charge is negligible, that is to say, the electric field is spatially constant.

  9. Thiol groups controls on arsenite binding by organic matter: new experimental and modeling evidence.

    Science.gov (United States)

    Catrouillet, Charlotte; Davranche, Mélanie; Dia, Aline; Bouhnik-Le Coz, Martine; Pédrot, Mathieu; Marsac, Rémi; Gruau, Gérard

    2015-12-15

    Although it has been suggested that several mechanisms can describe the direct binding of As(III) to organic matter (OM), more recently, the thiol functional group of humic acid (HA) was shown to be an important potential binding site for As(III). Isotherm experiments on As(III) sorption to HAs, that have either been grafted with thiol or not, were thus conducted to investigate the preferential As(III) binding sites. There was a low level of binding of As(III) to HA, which was strongly dependent on the abundance of the thiols. Experimental datasets were used to develop a new model (the modified PHREEQC-Model VI), which defines HA as a group of discrete carboxylic, phenolic and thiol sites. Protonation/deprotonation constants were determined for each group of sites (pKA=4.28±0.03; ΔpKA=2.13±0.10; pKB=7.11±0.26; ΔpKB=3.52±0.49; pKS=5.82±0.052; ΔpKS=6.12±0.12 for the carboxylic, phenolic and thiols sites, respectively) from HAs that were either grafted with thiol or not. The pKS value corresponds to that of single thiol-containing organic ligands. Two binding models were tested: the Mono model, which considered that As(III) is bound to the HA thiol site as monodentate complexes, and the Tri model, which considered that As(III) is bound as tridentate complexes. A simulation of the available literature datasets was used to validate the Mono model, with logKMS=2.91±0.04, i.e. the monodentate hypothesis. This study highlighted the importance of thiol groups in OM reactivity and, notably, determined the As(III) concentration bound to OM (considering that Fe is lacking or at least negligible) and was used to develop a model that is able to determine the As(III) concentrations bound to OM. Copyright © 2015. Published by Elsevier Inc.

  10. Learning Read-constant Polynomials of Constant Degree modulo Composites

    DEFF Research Database (Denmark)

    Chattopadhyay, Arkadev; Gavaldá, Richard; Hansen, Kristoffer Arnsfelt

    2011-01-01

    Boolean functions that have constant degree polynomial representation over a fixed finite ring form a natural and strict subclass of the complexity class \\textACC0ACC0. They are also precisely the functions computable efficiently by programs over fixed and finite nilpotent groups. This class...... is not known to be learnable in any reasonable learning model. In this paper, we provide a deterministic polynomial time algorithm for learning Boolean functions represented by polynomials of constant degree over arbitrary finite rings from membership queries, with the additional constraint that each variable...

  11. Study of the nucleotide binding site of the yeast Schizosaccharomyces pombe plasma membrane H+-ATPase using formycin triphosphate-terbium complex

    International Nuclear Information System (INIS)

    Ronjat, M.; Lacapere, J.J.; Dufour, J.P.; Dupont, Y.

    1987-01-01

    The plasma membrane of yeasts contains an H+-ATPase similar to the other cation transport ATPases of eukaryotic organisms. This enzyme has been purified and shows H+ transport in reconstituted vesicles. In the presence of Mg2+, formycin triphosphate (FTP) is hydrolyzed by the H+-ATPase and supports H+ transport. When combined with terbium ion, FTP (Tb-FTP) and ATP (Tb-ATP) are no longer hydrolyzed. Competition between Mg-ATP and Tb-FTP for ATP hydrolysis indicates that terbium-associated nucleotides bind to the catalytic site of the H+-ATPase. The fluorescent properties of the Tb-FTP complex were used to study the active site of the H+-ATPase. Fluorescence of Tb-FTP is greatly enhanced upon binding into the nucleotide site of H+-ATPase with a dissociation constant of 1 microM. Tb-ATP, Tb-ADP, and Tb-ITP are competitive inhibitors of Tb-FTP binding with Ki = 4.5, 5.0, and 6.0 microM, respectively. Binding of Tb-FTP is observed only in the presence of an excess of Tb3+ with an activation constant Ka = 25 microM for Tb3+. Analysis of the data reveals that the sites for Tb-FTP and Tb3+ binding are independent entities. In standard conditions these sites would be occupied by Mg-ATP and Mg2+, respectively. These findings suggest an important regulatory role of divalent cations on the activity of H+-ATPase. Replacement of H 2 O by D 2 O in the medium suggests the existence of two types of nucleotide binding sites differing by the hydration state of the Tb3+ ion in the bound Tb-FTP complex

  12. NOVEL MLANTJARAN KA SASAK: FROM DILLEMATIC TEACHERS TO HUMOROUS ONES

    Directory of Open Access Journals (Sweden)

    I Nyoman Tingkat

    2015-07-01

    Full Text Available This article discusses the representation of the image of teachers in the novel entitled Mlantjaran ka Sasak written by Gde Srawana. Using the theory of literary sociology and the theory of representation as the basis of analysis, it was found that teachers were  imaged of being dilemmatic, humanistic idealistic, caring about the Balinese culture, and being humorous. Sociologically, the novel entitled Mlantjaran ka Sasak pictured the life background of the Balinese society during 1930s, indicated by the critical attitude of the intellectuals through I Made Sarati and Ida Ayu Priya, the characters who played a role as teachers, towards the caste feudalism in marriage. Such a critical attitude was expressed in such an inciting way that the ethic and aesthetic values needed to educate society were not neglected.

  13. From the Rydberg constant to the fundamental constants metrology; De la constante de Rydberg a la metrologie des constantes fondamentales

    Energy Technology Data Exchange (ETDEWEB)

    Nez, F

    2005-06-15

    This document reviews the theoretical and experimental achievements of the author since the beginning of his scientific career. This document is dedicated to the spectroscopy of hydrogen, deuterium and helium atoms. The first part is divided into 6 sub-sections: 1) the principles of hydrogen spectroscopy, 2) the measurement of the 2S-nS/nD transitions, 3) other optical frequency measurements, 4) our contribution to the determination of the Rydberg constant, 5) our current experiment on the 1S-3S transition, 6) the spectroscopy of the muonic hydrogen. Our experiments have improved the accuracy of the Rydberg Constant by a factor 25 in 15 years and we have achieved the first absolute optical frequency measurement of a transition in hydrogen. The second part is dedicated to the measurement of the fine structure constant and the last part deals with helium spectroscopy and the search for optical references in the near infrared range. (A.C.)

  14. Systematics of constant roll inflation

    Science.gov (United States)

    Anguelova, Lilia; Suranyi, Peter; Wijewardhana, L. C. R.

    2018-02-01

    We study constant roll inflation systematically. This is a regime, in which the slow roll approximation can be violated. It has long been thought that this approximation is necessary for agreement with observations. However, recently it was understood that there can be inflationary models with a constant, and not necessarily small, rate of roll that are both stable and compatible with the observational constraint ns ≈ 1. We investigate systematically the condition for such a constant-roll regime. In the process, we find a whole new class of inflationary models, in addition to the known solutions. We show that the new models are stable under scalar perturbations. Finally, we find a part of their parameter space, in which they produce a nearly scale-invariant scalar power spectrum, as needed for observational viability.

  15. Kui suudab Steve, suudab ka Apple / Tarvo Vaarmets

    Index Scriptorium Estoniae

    Vaarmets, Tarvo

    2008-01-01

    Ehkki Apple'i kolmanda kvartali kasum kasvas kolmandiku võrra ja oli oodatust kümnendiku jagu suurem, langes ettevõtte aktsia hind börsil. Investoreid teeb rahutuks nii ettevõtte juhi Steve Jobsi tervis kui ka Apple'i majandusprognoos neljandaks kvartaliks. Lisa: Analüütikud on aktsia suhtes üksmeelel. Diagramm: Aktsia hinnal taas suund alla

  16. Eestil on Euroopas ka oma tee / Jürgen Ligi

    Index Scriptorium Estoniae

    Ligi, Jürgen, 1959-

    2004-01-01

    Ilmunud ka: Põhjarannik, 17. apr. 2004, lk. 2; Severnoje Poberezhje, 17. apr. 2004, lk. 2; Koit,17. apr. 2004, lk. 6; Meie Maa, 17. apr. 2004, lk. 2; Hiiu Leht, 20. apr. 2004, lk. 2; Virumaa Nädalaleht, 23. apr. 2004, lk. 2; Sakala, 23. apr. 2004, lk. 2; Valgamaalane, 8. mai 2004, lk. 2. Maksu- ja sotsiaalpoliitika otsustusõigusest ning kaitsmisest EL-i riikides

  17. Riigikogus tehakse ka tööd / Vilja Savisaar

    Index Scriptorium Estoniae

    Savisaar, Vilja, 1962-

    2007-01-01

    Ilmunud ka: Sakala, 13. juuni 2007, lk. 2; Lääne Elu, 14. juuni 2007, lk. 2; Põhjarannik, 14. juuni 2007, lk. 2; Severnoje Poberezhje, 14. juuni 2007, lk. 2; Vooremaa, 14. juuni 2007, lk. 2; Harju Ekspress, 15. juuni 2007, lk. 8; Järva Teataja, 16. juuni 2007, lk. 2; Koit, 21. juuni 2007, lk. 6. Parlamendiliige Keskerakonna fraktsiooni poolt parlamendis algatatud eelnõudest

  18. ’Farvekombinatotik’, KA-udstillingen Digital Practice 08

    DEFF Research Database (Denmark)

    Møldrup, Per

    2008-01-01

    FoU-projektet 'Farvekombinatirik' har udviklet to beskrivelsesmodeller for kategorisering af farver i farvesammenstillinger.  ’Model 48’ og ’model 96’ er for første gang illustreret med én repræsentant for hver af samtlige farvekategorier i tofarvekombinationer (1.128 stk. og 4.560 stk.) i form a...... firfarveprint på KA-udstillingen Digital Practice 08. ...

  19. Use of Roud Wood in Kaingáng Houses

    Directory of Open Access Journals (Sweden)

    Ricardo Dias Silva

    2002-01-01

    Full Text Available This work has the purpose of describing and analyzing the evolutionary habitation process of the Kaingáng. Its main focus is the typological reading of the shelters as well as the registration of the wooden building system used in the construction of the houses in the “Äpucaraninha” Reserve, located in a district of Londrina. The research proceeds with the elaboration of the genealogy of the kaingáng’s habitation through the consultation to the published historical reports and their chronological organization. The data collection within the group was accomplished through informal interviews, photographic survey and in loco observations. Aspects related to the use of the round wood as well as the other elements that are part of the construction, were verified at this stage. The raw material used in every building system is obtained in the Reserve itself, being the wood used not only in the structure but also in the sealing. The connections are made through fittings and fastenings with liana. In spite of the mixture of values and meanings that the Kaingáng community experiences through the contact with other cultures, traditional aspects related to the building of the “traditional house” are preserved, with no domain of other techniques by most of the group. The registration intends to contribute towards the identification and understanding of important issues related to the spaces built by the man.

  20. ATLAS computing operations within the GridKa Cloud

    International Nuclear Information System (INIS)

    Kennedy, J; Walker, R; Olszewski, A; Nderitu, S; Serfon, C; Duckeck, G

    2010-01-01

    The organisation and operations model of the ATLAS T1-T2 federation/Cloud associated to the GridKa T1 in Karlsruhe is described. Attention is paid to Cloud level services and the experience gained during the last years of operation. The ATLAS GridKa Cloud is large and divers spanning 5 countries, 2 ROC's and is currently comprised of 13 core sites. A well defined and tested operations model in such a Cloud is of the utmost importance. We have defined the core Cloud services required by the ATLAS experiment and ensured that they are performed in a managed and sustainable manner. Services such as Distributed Data Management involving data replication,deletion and consistency checks, Monte Carlo Production, software installation and data reprocessing are described in greater detail. In addition to providing these central services we have undertaken several Cloud level stress tests and developed monitoring tools to aid with Cloud diagnostics. Furthermore we have defined good channels of communication between ATLAS, the T1 and the T2's and have pro-active contributions from the T2 manpower. A brief introduction to the GridKa Cloud is provided followed by a more detailed discussion of the operations model and ATLAS services within the Cloud.

  1. Utjecaj materijala za pakiranje na kvalitetu Kačkavalja

    Directory of Open Access Journals (Sweden)

    Goce Talevski

    2017-02-01

    Full Text Available U ovom radu ispitivan je utjecaj različitog ambalažnog materijala (A - kontrolni uzorak, B - polimerna emulzija, C - vosak i D - polimerna folija na kvalitetu Kačkavalja. Najnižu pH vrijednost imao je uzorak zaštićen voskom, što je rezultat zadržavanja nastalih organskih kiselina i plinova od strane ambalažnog materijala. Statistički značajan utjecaj ambalažnih materijala (p<0.01 bio je utvrđen kod sadržaja suhe tvari, proteina i pepela, dok statistička značajnost nije bila utvrđena kod sadržaja masti kod Kačkavalja. Proteolitički procesi bili su izraženiji kod uzorka zaštićenog voskom i polimernom folijom, s višim razinama topljivog dušika, primarnih i sekundarnih dušičnih spojeva i koeficijenta zrelosti u odnosu na kontrolni uzorak i uzorak zaštićen polimernom emulzijom.

  2. Strain fluctuations and elastic constants

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1982-03-01

    It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either the isothermal or the adiabatic compliances are obtained. These fluctuations can now be calculated in a constant enthalpy and pressure, and hence, constant entropy, ensemble due to recent develpments in the molecular dynamics techniques. A calculation for a Ni single crystal under uniform uniaxial 100 tensile or compressive load is presented as an illustration of the relationships derived between various strain fluctuations and the elastic modulii. The Born stability criteria and the behavior of strain fluctuations are shown to be related.

  3. Ionization and thermodynamic constants of 6-methylquinoline by potentiometry in aqueous and mixed organic-water solvent systems

    International Nuclear Information System (INIS)

    Hafiz, A; Indhar, B.; Khanzada, A.W.K.

    2000-01-01

    The ionization constant pKa and Gibbs's free energy DG of 6-methylquinoline are determined in aqueous solution at different temperatures and in three mixed organic-water solvent systems at 25 deg. C. It is observed that dissociation constant of 6-methylquinoline in aqueous system decreases with the increase of temperature. The curve is a parabolic. It is noted that pKa values of this compound are higher than those of quinoline and 8-methylquinoline. In case of mixed organic-water solvent systems, the influence of these solvents on the ionization equilibria of NH/sub 2/ group has been observed. The pK M/A and pK T/A values versus percent composition decrease gradually with increase in percent of organic solvents The curve of the pK/sub a/ versus percent composition is a distorted parabola. The data have been obtained potentiometrically by titrating 6-methylquinoline solutions with HCl. The values of dissociation constant were obtained from these data by a computer program written in GW-BASIC. From pKa values Gibbs's free energies DG for the respective pKa values have also been calculated. (author)

  4. AltiKa: a Ka-band Altimetry Payload and System for Operational Altimetry during the GMES Period

    Directory of Open Access Journals (Sweden)

    Jacques Verron

    2006-03-01

    Full Text Available This paper describes the Ka-band altimetry payload and system that has beenstudied for several years by CNES, ALCATEL SPACE and some science laboratories.Altimetry is one of the major elements of the ocean observing system to be madesustainable through the GEOSS (Global Earth Observation System of Systems and GMES(Global Monitoring of the Environment and Security programs. A short review of somemission objectives to be fulfilled in terms of mesoscale oceanography in the frame of theGEOSS and GMES programs is performed. To answer the corresponding requirements, theapproach consisting in a constellation of nadir altimeter is discussed. A coupled Ka-bandaltimeter-radiometer payload is then described; technical items are detailed to explain howthis payload shall meet the science and operational requirements, and expectedperformances are displayed. The current status of the payload development and flightperspectives are given.

  5. Non-constant retardation coefficient

    International Nuclear Information System (INIS)

    Wang Zhiming; Gu Zhijie; Yang Yue'e; Li Shushen

    2004-12-01

    Retardation coefficient is one of the important parameters used in transport models describing radionuclide migration in geological media and usually regarded as a constant in the models. The objectives of the work are to understand: (1) Whether the retardation coefficient, R d , is a constant? (2) How much effect is R d on calculated consequence if R d is not constant? (3) Is the retardation coefficient derived from distribution coefficient, k d , according to conventional equation suitable for safety assessment? The objectives are achieved through test and analysis of the test results on radionuclide migration in unsaturated loess. It can be seen from the results that retardation coefficient, R d , of 85 Sr is not constant and increases with water content, θ, under unsaturated condition. R d , of 85 Sr derived from k d according to conventional equation can not be used for safety assessment. R d , used for safety assessment should be directly measured, rather than derived from k d . It is shown from calculation that the effect of R d on calculated consequence is very considerable. (authors)

  6. Universal relation between spectroscopic constants

    Indian Academy of Sciences (India)

    (3) The author has used eq. (6) of his paper to calculate De. This relation leads to a large deviation from the correct value depending upon the extent to which experimental values are known. Guided by this fact, in our work, we used experimentally observed De values to derive the relation between spectroscopic constants.

  7. Stabilized power constant alimentation; Alimentation regulee a puissance constante

    Energy Technology Data Exchange (ETDEWEB)

    Roussel, L. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-06-01

    The study and realization of a stabilized power alimentation variable from 5 to 100 watts are described. In order to realize a constant power drift of Lithium compensated diodes, we have searched a 1 per cent precision of regulation and a response time minus than 1 sec. Recent components like Hall multiplicator and integrated amplifiers give this possibility and it is easy to use permutable circuits. (author) [French] On decrit l'etude et la realisation d'une alimentation a puissance constante reglable dans une gamme de 5 a 100 watts. Prevue pour le drift a puissance constante des diodes compensees au lithium, l'etude a ete menee en vue d'obtenir une precision de regulation de 1 pour cent et un temps de reponse inferieur a la seconde. Des systemes recents tels que multiplicateurs a effet Hall et circuits integres ont permis d'atteindre ce but tout en facilitant l'emploi de modules interchangeables. (auteur)

  8. Constant-bandwidth constant-temperature hot-wire anemometer.

    Science.gov (United States)

    Ligeza, P

    2007-07-01

    A constant-temperature anemometer (CTA) enables the measurement of fast-changing velocity fluctuations. In the classical solution of CTA, the transmission band is a function of flow velocity. This is a minor drawback when the mean flow velocity does not significantly change, though it might lead to dynamic errors when flow velocity varies over a considerable range. A modification is outlined, whereby an adaptive controller is incorporated in the CTA system such that the anemometer's transmission band remains constant in the function of flow velocity. For that purpose, a second feedback loop is provided, and the output signal from the anemometer will regulate the controller's parameters such that the transmission bandwidth remains constant. The mathematical model of a CTA that has been developed and model testing data allow a through evaluation of the proposed solution. A modified anemometer can be used in measurements of high-frequency variable flows in a wide range of velocities. The proposed modification allows the minimization of dynamic measurement errors.

  9. Origin of the pKa shift of the catalytic lysine in acetoacetate decarboxylase.

    OpenAIRE

    Ishikita, Hiroshi

    2010-01-01

    The pKa value of Lys115, the catalytic residue in acetoacetate decarboxylate, was calculated using atomic coordinates of the X-ray crystal structure with consideration of the protonation states of all titratable sites in the protein. The calculated pKa value of Lys115 (pKa(Lys115)) was unusually low (approximately 6) in agreement with the experimentally measured value. Although charged residues impact pKa(Lys115) considerably in the native protein, the significant pKa(Lys115) downshift in the...

  10. Cosmological Constant and Local Gravity

    CERN Document Server

    Bernabeu, Jose; Mavromatos, Nick E

    2010-01-01

    We discuss the linearization of Einstein equations in the presence of a cosmological constant, by expanding the solution for the metric around a flat Minkowski space-time. We demonstrate that one can find consistent solutions to the linearized set of equations for the metric perturbations, in the Lorentz gauge, which are not spherically symmetric, but they rather exhibit a cylindrical symmetry. We find that the components of the gravitational field satisfying the appropriate Poisson equations have the property of ensuring that a scalar potential can be constructed, in which both contributions, from ordinary matter and $\\Lambda > 0$, are attractive. In addition, there is a novel tensor potential, induced by the pressure density, in which the effect of the cosmological constant is repulsive. We also linearize the Schwarzschild-de Sitter exact solution of Einstein's equations (due to a generalization of Birkhoff's theorem) in the domain between the two horizons. We manage to transform it first to a gauge in whic...

  11. Evolution of the solar constant

    International Nuclear Information System (INIS)

    Newman, M.J.

    1978-01-01

    The ultimate source of the energy utilized by life on Earth is the Sun, and the behavior of the Sun determines to a large extent the conditions under which life originated and continues to thrive. What can be said about the history of the Sun. Has the solar constant, the rate at which energy is received by the Earth from the Sun per unit area per unit time, been constant at its present level since Archean times. Three mechanisms by which it has been suggested that the solar energy output can vary with time are discussed, characterized by long (approx. 10 9 years), intermediate (approx. 10 8 years), and short (approx. years to decades) time scales

  12. Potential constants of CF4

    International Nuclear Information System (INIS)

    Jones, L.H.; Kennedy, C.; Ekberg, S.

    1978-01-01

    The infrared spectra of the 12 C, 13 C, and 14 C isotopic species of CF 4 have been observed at a resolution of 0.06 cm -1 . In addition to the fundamentals ν 3 and ν 4 a number of combination bands have been observed. Using these results, combined with Raman data in the literature, we have calculated the quadratic valence force field, in terms of force constants as well as compliance constants, with considerably better precision than previously obtained. Interaction displacement coordinates have been calculated and show that stretching one CF bond leads, for minimum energy near equilibrium, to opening up of the angles between the other three bonds as well as to their contraction

  13. Photodissociation constant of NO2

    International Nuclear Information System (INIS)

    Nootebos, M.A.; Bange, P.

    1992-01-01

    The velocity of the dissociation of NO 2 into ozone and NO mainly depends on the ultraviolet sunlight quantity, and with that the cloudiness. A correct value for this reaction constant is important for the accurate modelling of O 3 - and NO 2 -concentrations in plumes of electric power plants, in particular in the case of determination of the amount of photochemical summer smog. An advanced signal processing method (deconvolution, correlation) was applied on the measurements. The measurements were carried out from aeroplanes

  14. Ka-band SAR interferometry studies for the SWOT mission

    Science.gov (United States)

    Fernandez, D. E.; Fu, L.; Rodriguez, E.; Hodges, R.; Brown, S.

    2008-12-01

    The primary objective of the NRC Decadal Survey recommended SWOT (Surface Water and Ocean Topography) Mission is to measure the water elevation of the global oceans, as well as terrestrial water bodies (such as rivers, lakes, reservoirs, and wetlands), to answer key scientific questions on the kinetic energy of ocean circulation, the spatial and temporal variability of the world's surface freshwater storage and discharge, and to provide societal benefits on predicting climate change, coastal zone management, flood prediction, and water resources management. The SWOT mission plans to carry the following suite of microwave instruments: a Ka-band interferometer, a dual-frequency nadir altimeter, and a multi-frequency water-vapor radiometer dedicated to measuring wet tropospheric path delay to correct the radar measurements. We are currently funded by the NASA Earth Science Technology Office (ESTO) Instrument Incubator Program (IIP) to reduce the risk of the main technological drivers of SWOT, by addressing the following technologies: the Ka-band radar interferometric antenna design, the on-board interferometric SAR processor, and the internally calibrated high-frequency radiometer. The goal is to significantly enhance the readiness level of the new technologies required for SWOT, while laying the foundations for the next-generation missions to map water elevation for studying Earth. The first two technologies address the challenges of the Ka-band SAR interferometry, while the high- frequency radiometer addresses the requirement for small-scale wet tropospheric corrections for coastal zone applications. In this paper, we present the scientific rational, need and objectives behind these technology items currently under development.

  15. Synthesis and Structural Investigation of New Bio-Relevant Complexes of Lanthanides with 5-Hydroxyflavone: DNA Binding and Protein Interaction Studies

    Directory of Open Access Journals (Sweden)

    Alexandra-Cristina Munteanu

    2016-12-01

    Full Text Available In the present work, we attempted to develop new metal coordination complexes of the natural flavonoid 5-hydroxyflavone with Sm(III, Eu(III, Gd(III, Tb(III. The resultant hydroxo complexes have been characterized by a variety of spectroscopic techniques, including fluorescence, FT-IR, UV-Vis, EPR and mass spectral studies. The general chemical formula of the complexes is [Ln(C15H9O33(OH2(H2Ox]·nH2O, where Ln is the lanthanide cation and x = 0 for Sm(III, x = 1 for Eu(III, Gd(III, Tb(III and n = 0 for Sm(III, Gd(III, Tb(III, n = 1 for Eu(III, respectively. The proposed structures of the complexes were optimized by DFT calculations. Theoretical calculations and experimental determinations sustain the proposed structures of the hydroxo complexes, with two molecules of 5-hydroxyflavone acting as monoanionic bidentate chelate ligands. The interaction of the complexes with calf thymus DNA has been explored by fluorescence titration and UV-Vis absorption binding studies, and revealed that the synthesized complexes interact with DNA with binding constants (Kb ~ 104. Human serum albumin (HSA and transferrin (Tf binding studies have also been performed by fluorescence titration techniques (fluorescence quenching studies, synchronous fluorescence spectra. The apparent association constants (Ka and thermodynamic parameters have been calculated from the fluorescence quenching experiment at 299 K, 308 K, and 318 K. The quenching curves indicate that the complexes bind to HSA with smaller affinity than the ligand, but to Tf with higher binding affinities than the ligand.

  16. Searching for Kaprekar's constants: algorithms and results

    OpenAIRE

    Walden, Byron L.

    2005-01-01

    We examine some new results on Kaprekar's constants, specifically establishing the unique 7-digit (in base 4) and 9-digit (in base 5) Kaprekar's constants and showing that there are no 15-, 21-, 27-, or 33-digit Kaprekar's constants.

  17. Veretu retrobuum : [ka TPÜ AR kohvikust] / Allan Hmelnitski

    Index Scriptorium Estoniae

    Hmelnitski, Allan

    2004-01-01

    "Ka mina eelistan kõigi söögikohtade seast Teaduste Akadeemia puhvetit, mis on 100% breezhnevi aegne disain - kunstnahast lett, ümmargused madalad lauad, pikk-pikk nahkdiivan, kurgid ja tomatid mis maitsevad hästi ja tugevalt, täpselt nagu aastal 85, hallides ülikondades vanemad härrad vestlemas põlevkivist ja paeklindi ajaloost. Vot see on tõeline petlik naiivsus, turvalisus, rahu, muretus ja stabiilsus nagu aastal 76 ema süles."

  18. Development prospects of Niška Banja

    Directory of Open Access Journals (Sweden)

    Stefanović Vidoje

    2013-01-01

    Full Text Available Strategic thinking is the base of every development and the favorite entries in theory and management practices. In tourist complex that has a special meaning because of the sole complexity of the phenomenon itself. In this sense, many of the methods of strategic management and tourism development in various areas in Serbia, SWOT analysis is one of the most reliable. For this, Niška Banja is a true challenge. [Projekat Ministarstva nauke Republike Srbije, br. 179013: Sustainable identity of Serbs and minorities living in border areas of East and South-east Serbia

  19. PODJETNIŠKA AKTIVNOST NA KOROŠKEM

    OpenAIRE

    Marhl, Anja

    2010-01-01

    Da bi se posameznik podal na podjetniško pot mora zaznati poslovno priložnost, hkrati pa mora imeti tudi ustrezno znanje oziroma sposobnosti. Odločitev za podjetništvo je vedno osebna odločitev. Posameznik se mora sam odločiti ali bo deloval kot podjetnik, ali pa se bo ukvarjal s čim drugim. Koroška regija je ena izmed najstarejših slovenskih industrijskih regij. Prevladujejo predelovalne dejavnosti (proizvodnja kovin in kovinskih izdelkov, proizvodnja iz gume in plastike ter proizvodnja ...

  20. Implantantno-protetička terapija manjka prednjeg zuba

    OpenAIRE

    Živko-Babić, Jasenka; Jakovac, Marko; Carek, Andreja; Lovrić, Željka

    2009-01-01

    Posljednjih nekoliko desetljeća implantantno-protetička terapija sve se češće predlaže kod djelomice ozubljene čeljusti. Ugradnja implantata u prednjem dijelu usta vrlo je zahtjevna i tehnički osjetljiva. Pacijenti danas zahtijevaju da protetički radovi izgledaju potpuno prirodno, a to od kliničara traži edukaciju, znanje i sposobnost. Svrha ovoga rada jest predstaviti rezultate implatatno-protetičke terapije manjka prednjeg zuba kod pacijenata Katedre za fiksnu protetiku Stomatološkog fakult...

  1. Deriving and Interpreting Ka(karimusubi in Premodern Japanese

    Directory of Open Access Journals (Sweden)

    Moreno MITROVIĆ

    2015-02-01

    Full Text Available This paper provides a new syntax and semantics for kakarimusubi (KM, a focus construction prominent in the grammar of Old Japanese (OJ and Early Middle (Classical Japanese (CJ, which diachronically developed into the interrogative construction in Modern Japanese (MdJ headed by the ka particle. Adopting Chierchia & Caponigro’s (2013 novel analysis of Free Relatives (FRs as embedded interrogatives, an FR-based analysis of KM is proposed so as to obtain a compositional semantic analysis of this focus construction as well as an account of the adnominal marking of the presuppositional musubi component of this grammatical construction.

  2. Design of High Power Density Amplifiers: Application to Ka Band

    Science.gov (United States)

    Passi, Davide; Leggieri, Alberto; Di Paolo, Franco; Bartocci, Marco; Tafuto, Antonio

    2017-10-01

    Recent developments in the design of high-power-high-frequency amplifiers are assessed in this paper by the analysis and measurements of a high power density amplifier operating in the Ka Band. Design procedure is presented and a technical investigation is reported. The proposed device has shown over 23% of useful frequency bandwidth. It is an ensemble of 16 monolithic solid state power amplifiers that employees mixed technologies as spatial and planar combiners. Test performed have given maximum delivered power of 47.2 dBm.

  3. Millennial-scale variations in dustiness recorded in Mid-Atlantic sediments from 0 to 70 ka

    Science.gov (United States)

    Middleton, Jennifer L.; Mukhopadhyay, Sujoy; Langmuir, Charles H.; McManus, Jerry F.; Huybers, Peter J.

    2018-01-01

    Sedimentary records of dust deposition in the subtropical Atlantic provide important constraints on millennial- and orbital-scale variability in atmospheric circulation and North African aridity. Constant flux proxies, such as extraterrestrial helium-3, yield dust flux records that are independent of the biases caused by lateral sediment transport and limited resolution that may be associated with age-model-derived mass accumulation rates. However, Atlantic dust records constrained using constant flux proxies are sparsely distributed and generally limited to the past 20 ka. Here we extend the Atlantic record of North African dust deposition to 70 ka using extraterrestrial helium-3 and measurements of titanium, thorium, and terrigenous helium-4 in two sediment cores collected at 26°N and 29°N on the Mid-Atlantic Ridge and compare results to model estimates for dust deposition in the subtropical North Atlantic. Dust proxy fluxes between 26°N and 29°N are well correlated, despite variability in lateral sediment transport, and underscore the utility of extraterrestrial helium-3 for constraining millennial-scale variability in dust deposition. Similarities between Mid-Atlantic dust flux trends and those observed along the Northwest African margin corroborate previous interpretations of dust flux variability over the past 20 ka and suggest that long distance transport and depositional processes do not overly obscure the signal of North African dust emissions. The 70 ka Mid-Atlantic record reveals a slight increase in North African dustiness from Marine Isotope Stage 4 through the Last Glacial Maximum and a dramatic decrease in dustiness associated with the African Humid Period. On the millennial-scale, the new records exhibit brief dust maxima coincident with North Atlantic cold periods such as the Younger Dryas, and multiple Heinrich Stadials. The correlation between Mid-Atlantic dust fluxes and previous constraints on North African aridity is high. However

  4. Rationalization of the pKa values of alcohols and thiols using atomic charge descriptors and its application to the prediction of amino acid pKa's.

    Science.gov (United States)

    Ugur, Ilke; Marion, Antoine; Parant, Stéphane; Jensen, Jan H; Monard, Gerald

    2014-08-25

    In a first step toward the development of an efficient and accurate protocol to estimate amino acids' pKa's in proteins, we present in this work how to reproduce the pKa's of alcohol and thiol based residues (namely tyrosine, serine, and cysteine) in aqueous solution from the knowledge of the experimental pKa's of phenols, alcohols, and thiols. Our protocol is based on the linear relationship between computed atomic charges of the anionic form of the molecules (being either phenolates, alkoxides, or thiolates) and their respective experimental pKa values. It is tested with different environment approaches (gas phase or continuum solvent-based approaches), with five distinct atomic charge models (Mulliken, Löwdin, NPA, Merz-Kollman, and CHelpG), and with nine different DFT functionals combined with 16 different basis sets. Moreover, the capability of semiempirical methods (AM1, RM1, PM3, and PM6) to also predict pKa's of thiols, phenols, and alcohols is analyzed. From our benchmarks, the best combination to reproduce experimental pKa's is to compute NPA atomic charge using the CPCM model at the B3LYP/3-21G and M062X/6-311G levels for alcohols (R(2) = 0.995) and thiols (R(2) = 0.986), respectively. The applicability of the suggested protocol is tested with tyrosine and cysteine amino acids, and precise pKa predictions are obtained. The stability of the amino acid pKa's with respect to geometrical changes is also tested by MM-MD and DFT-MD calculations. Considering its strong accuracy and its high computational efficiency, these pKa prediction calculations using atomic charges indicate a promising method for predicting amino acids' pKa in a protein environment.

  5. A method for computing association rate constants of atomistically represented proteins under macromolecular crowding

    Science.gov (United States)

    Qin, Sanbo; Cai, Lu; Zhou, Huan-Xiang

    2012-12-01

    In cellular environments, two protein molecules on their way to form a specific complex encounter many bystander macromolecules. The latter molecules, or crowders, affect both the energetics of the interaction between the test molecules and the dynamics of their relative motion. In earlier work (Zhou and Szabo 1991 J. Chem. Phys. 95 5948-52), it has been shown that, in modeling the association kinetics of the test molecules, the presence of crowders can be accounted for by their energetic and dynamic effects. The recent development of the transient-complex theory for protein association in dilute solutions makes it possible to easily incorporate the energetic and dynamic effects of crowders. The transient complex refers to a late on-pathway intermediate, in which the two protein molecules have near-native relative separation and orientation, but have yet to form the many short-range specific interactions of the native complex. The transient-complex theory predicts the association rate constant as ka = ka0exp( - ΔG*el/kBT), where ka0 is the ‘basal’ rate constant for reaching the transient complex by unbiased diffusion, and the Boltzmann factors captures the influence of long-range electrostatic interactions between the protein molecules. Crowders slow down the diffusion, therefore reducing the basal rate constant (to kac0), and induce an effective interaction energy ΔGc. We show that the latter interaction energy for atomistic proteins in the presence of spherical crowders is ‘long’-ranged, allowing the association rate constant under crowding to be computed as kac = kac0exp[ - (ΔG*el + ΔG*c)/kBT]. Applications demonstrate that this computational method allows for realistic modeling of protein association kinetics under crowding.

  6. Evaluation of the acidity constants of the 4-hidroxy-5-6salicylideneamino9-2-7-naphthalenedisulfonic acid (Azomethine-H) using UV?vis spectrophotometry

    Science.gov (United States)

    Alarcón-Angeles, G.; Corona-Avendaño, S.; Rojas-Hernández, A.; Romero-Romo, M. A.; Ramírez-Silva, M. T.

    2005-01-01

    The time stability of the azomethine-H species was determined not to be better than 10 min in the absence of oxygen and light, however under phosphate buffered conditions the azomethine-H species remained stable for longer periods, as indicated by the spectrophotometric behaviour. Nevertheless, the analysis time still exceeded the stability allowance. Therefore, the determination of the acidity constants of the Azomethine-H species was studied by means of UV-vis spectrophotometry in buffered media by means of the point-by-point analysis and data processing with SQUAD to refine the resulting constants, which were: p Ka1=3.39, p Ka2 7.36 and p Ka3 8.73. The latter were associated to the corresponding acid-base equilibria of the amine and hydroxy groups constituting the molecule.

  7. Low power constant fraction discriminator

    International Nuclear Information System (INIS)

    Krishnan, Shanti; Raut, S.M.; Mukhopadhyay, P.K.

    2001-01-01

    This paper describes the design of a low power ultrafast constant fraction discriminator, which significantly reduces the power consumption. A conventional fast discriminator consumes about 1250 MW of power whereas this low power version consumes about 440 MW. In a multi detector system, where the number of discriminators is very large, reduction of power is of utmost importance. This low power discriminator is being designed for GRACE (Gamma Ray Atmospheric Cerenkov Experiments) telescope where 1000 channels of discriminators are required. A novel method of decreasing power consumption has been described. (author)

  8. Can coupling constants be related

    International Nuclear Information System (INIS)

    Nandi, Satyanarayan; Ng, Wing-Chiu.

    1978-06-01

    We analyze the conditions under which several coupling constants in field theory can be related to each other. When the relation is independent of the renormalization point, the relation between any g and g' must satisfy a differential equation as follows from the renormalization group equations. Using this differential equation, we investigate the criteria for the feasibility of a power-series relation for various theories, especially the Weinberg-Salam type (including Higgs bosons) with an arbitrary number of quark and lepton flavors. (orig./WL) [de

  9. Measurement of Newton's gravitational constant

    International Nuclear Information System (INIS)

    Schlamminger, St.; Holzschuh, E.; Kuendig, W.; Nolting, F.; Pixley, R. E.; Schurr, J.; Straumann, U.

    2006-01-01

    A precision measurement of the gravitational constant G has been made using a beam balance. Special attention has been given to determining the calibration, the effect of a possible nonlinearity of the balance and the zero-point variation of the balance. The equipment, the measurements, and the analysis are described in detail. The value obtained for G is 6.674 252(109)(54)x10 -11 m 3 kg -1 s -2 . The relative statistical and systematic uncertainties of this result are 16.3x10 -6 and 8.1x10 -6 , respectively

  10. Exact constants in approximation theory

    CERN Document Server

    Korneichuk, N

    1991-01-01

    This book is intended as a self-contained introduction for non-specialists, or as a reference work for experts, to the particular area of approximation theory that is concerned with exact constants. The results apply mainly to extremal problems in approximation theory, which in turn are closely related to numerical analysis and optimization. The book encompasses a wide range of questions and problems: best approximation by polynomials and splines; linear approximation methods, such as spline-approximation; optimal reconstruction of functions and linear functionals. Many of the results are base

  11. ITIL and Grid services at GridKa

    Science.gov (United States)

    Marten, H.; Koenig, T.

    2010-04-01

    The Steinbuch Centre for Computing (SCC) is a new organizational unit of the Karlsruhe Institute of Technology (KIT). Founded in February 2008 as a merger of the previous Institute for Scientific Computing of Forschungszentrum Karlsruhe and the Computing Centre of the Technical University Karlsruhe, SCC provides a broad spectrum of IT services for 8.000 employees and 18.000 students and carries out research and development in key areas of information technology under the same roof. SCC is also known to host the German WLCG [1] Tier-1 centre GridKa. In order to accompany the merging of the two existing computing centres located at a distance of about 10 km and to provide common first class services for science, SCC has selected the IT service management according to the industrial quasi-standard "IT Infrastructure Library (ITIL)" [3] as a strategic element. The paper discusses the implementation of a few ITIL key components from the perspective of a Scientific Computing Centre using examples of Grid services at GridKa.

  12. ITIL and Grid services at GridKa

    Energy Technology Data Exchange (ETDEWEB)

    Marten, H; Koenig, T, E-mail: holger.marten@kit.ed, E-mail: tobias.koenig@kit.ed [Karlsruhe Institute of Technology, Forschungszentrum Karlsruhe GmbH Steinbuch Centre for Computing Herman-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2010-04-01

    The Steinbuch Centre for Computing (SCC) is a new organizational unit of the Karlsruhe Institute of Technology (KIT). Founded in February 2008 as a merger of the previous Institute for Scientific Computing of Forschungszentrum Karlsruhe and the Computing Centre of the Technical University Karlsruhe, SCC provides a broad spectrum of IT services for 8.000 employees and 18.000 students and carries out research and development in key areas of information technology under the same roof. SCC is also known to host the German WLCG [1] Tier-1 centre GridKa. In order to accompany the merging of the two existing computing centres located at a distance of about 10 km and to provide common first class services for science, SCC has selected the IT service management according to the industrial quasi-standard 'IT Infrastructure Library (ITIL)' [3] as a strategic element. The paper discusses the implementation of a few ITIL key components from the perspective of a Scientific Computing Centre using examples of Grid services at GridKa.

  13. ITIL and Grid services at GridKa

    International Nuclear Information System (INIS)

    Marten, H; Koenig, T

    2010-01-01

    The Steinbuch Centre for Computing (SCC) is a new organizational unit of the Karlsruhe Institute of Technology (KIT). Founded in February 2008 as a merger of the previous Institute for Scientific Computing of Forschungszentrum Karlsruhe and the Computing Centre of the Technical University Karlsruhe, SCC provides a broad spectrum of IT services for 8.000 employees and 18.000 students and carries out research and development in key areas of information technology under the same roof. SCC is also known to host the German WLCG [1] Tier-1 centre GridKa. In order to accompany the merging of the two existing computing centres located at a distance of about 10 km and to provide common first class services for science, SCC has selected the IT service management according to the industrial quasi-standard 'IT Infrastructure Library (ITIL)' [3] as a strategic element. The paper discusses the implementation of a few ITIL key components from the perspective of a Scientific Computing Centre using examples of Grid services at GridKa.

  14. New USS Microstrip Antenna Proposal Based Both On Ku And Ka Frequency New USSMA Ku Ka Band

    Directory of Open Access Journals (Sweden)

    Chafaa Hamrouni

    2017-09-01

    Full Text Available In this article we propose a Microstrip Antenna for Ultra Small Satellite USS telecommunication subsystem application in UWB Ku frequency band and Ka band. The designed MA is based on circular patch antenna. We process by minimizing and adjusting the MA dimension to lift the latch of bandwidth while maintaining quality performance of other properties. We have developed a studied geometric shape and used tricks to design them. Obtained antenna feds by microstrip line and the ground plane. Antenna feed elements are placed on the same plate to reduce the spatial dimension. Successful results are presented to validate function of proposed design and its precision operating at high frequencies.

  15. Binding Studies of Lamotrigine with Sera of Different Animal Species

    African Journals Online (AJOL)

    Erah

    into the mechanism of interaction, evaluate the effect of dielectric constant on binding affinity, and to determine the effect of ..... Physico-chemical aspects of protein binding of nimesulide, Ind J. Pharm Sci, 2005; 2: 243-246. 10. Dutta, SK, Basu, SK, Sen KK. Binding of diclofenac sodium with bovine serum albumin at different ...

  16. Aggregation state and pKa values of (E)-resveratrol as determined by fluorescence spectroscopy and UV-visible absorption.

    Science.gov (United States)

    López-Nicolás, José Manuel; García-Carmona, Francisco

    2008-09-10

    Whether or not (E)-resveratrol can be used as a functional ingredient in foods depends on its structure at different concentrations and pH values. For this reason, the aggregation state of (E)-resveratrol at acidic and basic pH is investigated here for the first time. The data show that (E)-resveratrol forms aggregates above a certain critical concentration, and this concentration is lower at acid (12.5 microM at pH 5.5) than at basic pH values (37 microM at pH 10.5). Moreover, although several papers have focused on the effect of the protonation state of (E)-resveratrol on its biological activity, different data concerning the acidic dissociation constants of this natural antioxidant have been reported in the literature. The present paper shows a way of determining the acidic dissociation constants (pKa1 = 8.8, pKa2 = 9.8, pKa3 = 11.4) of (E)-resveratrol in aqueous medium using both absorbance and fluorescence spectroscopy. Furthermore, the spectroscopic study of (E)-resveratrol under different ionization states corresponding to the deprotonation of the hydroxyl groups present in the molecule shows significant differences among the absorbance, excitation, and emission spectra of (E)-resveratrol that have not previously been reported.

  17. Calculating the shift in pKa of the position 66 for an Staphylococcal nuclease mutant with the Replica Exchange Free Energy Perturbation method

    Science.gov (United States)

    Sabri Dashti, Danial; Roitberg, Adrian

    2011-03-01

    The Experimental pKa value of Glutamate66 in a hyperstable mutant of Staph Nuclease, which has been measured by Moreno et al., shows a large shift of around 5 pKa units with respect to a glutamate in solution. In order to reproduce the large experimental shift by single structure continuum solvent computational methods, it is required that the dielectric constant of the interior of the protein be set to around ten in the simulations. The physical reason behind this is not understood as of yet and hypotheses have been produced by the Moreno group regarding solvent penetration, protein reorganization etc. We tried to resolve this inconsistency between experimental and continuum methods by introducing a four-state thermodynamic cycle that has couples conformational states with protonation state of the side chain of E66. We propose that what the experimental methods, (which are mostly sensitive to configurational changes) are measuring is actually the equilibrium constant between the two configurational states rather than between the two protonation states. In this regard we applied our recently developed Replica Exchange method Free Energy Perturbation (REFEP) in implicit solvent to calculate the pKa value of E66 for each of the configurational states as well as the mixed configuration, and our results are in almost perfect agreement with the experiments of Moreno.

  18. Substituent effect on the oxidation peak potentials of phenol derivatives at ordered mesoporous carbons modified electrode and its application in determination of acidity coefficients (pKa)

    International Nuclear Information System (INIS)

    Zhang, Tingting; Lang, Qiaolin; Zeng, Lingxing; Li, Tie; Wei, Mingdeng; Liu, Aihua

    2014-01-01

    In this paper, the relationship between the electrochemical characteristics and the structure of a series of substituted phenol derivatives with electron-donating or electron-withdrawing groups were studied by voltammetry using ordered mesoporous carbons (OMCs) modified glassy carbon electrode (GCE) (OMCs/GCE). p-Nitrophenol (p-NP) and p-methylphenol were selected as models of electron-withdrawing and electron-donating groups, respectively, to illustrate the electrochemical behavior and reaction mechanism of substituted phenols. Voltammetric study showed that the oxidation peak potential (E pa ) of substituted phenols with an electron-withdrawing group was systematically higher than that of substituted phenols with an electron-donating group. That is, the direct electrochemical oxidation of substituted phenol with an electron-withdrawing group is more difficult than that of substituted phenol with an electron-donating group. The E pa value shifted negatively with the increase of pKa for both p-substituted phenols and o-substituted phenols with the equations of pKa = −6.986 E pa + 13.261 (for p-substituted phenols) and pKa = −7.929 E pa + 13.831 (for o-substituted phenols). Thus, a simple and novel method was proposed for the precise prediction of the pKa of substituted phenols by determining E pa values with voltammetry at OMCs/GCE, which matched fairly with the results calculated from Hammett's constants. Thus, the present work may provide additional strategy to determine pKa values and investigate possible mechanisms of some organic reactions. In addition, by making use of the substituent effect, different p-substituted phenols (or o-substituted phenols) can be well separated and identified at OMCs/GCE by voltametry, which may find possible applications in simultaneous detection of p-substituted phenols (or o-substituted phenols)

  19. Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids

    Directory of Open Access Journals (Sweden)

    I. JURANIC

    2000-11-01

    Full Text Available The pKa values for a series of eight p-substituted trans-2,3-epoxy-4-phenyl butanoic acids (p-substituted trans-b-aroylepoxyacrylic acids have been determined potentiometrically in aqueous media at 25°C at an ionic strength of 0.1 mol/dm3 (NaCl. The transmission of polar effects from the substituents on the phenyl nucleus to the carboxylic group through the side chain involving a carbonyl group and an epoxide ring was investigated. The pKa values were correlated with structure using the Hammett, Taft and Yukawa-Tsuno approaches. The Hammett r constant (0.34 was compared with analogue values for structurally similar acids.

  20. Malama I Ka `Aina: Fostering the Culture-Science connection

    Science.gov (United States)

    Bruno, B.; Chinn, P.

    2005-12-01

    The Malama I Ka `Aina Project (Caring for the land, or sustainability) aims to improve and expand the education of Hawai`i's children by developing and disseminating standards-based, culturally relevant science curricular materials based on an understanding and appreciation of the ways in which traditional Hawaiians interacted with their environment for sustainability. Key concepts include the role of water and the ahupua`a (traditional Hawaiian system of land management), and a culture-based sense of place that includes knowledge of and connection to the land. Elementary, middle, high school and University of Hawai`i teachers work together to develop and implement curricula that are especially relevant to a particular school's science program and issues, e.g., invasive species, students, community and/or geographical location. Participants (typically a mix of teachers, education majors and science majors) enroll in Malama I Ka `Aina, a three-credit course offered through the University of Hawai`i`s Dept. of Curriculum Studies and applicable toward a Bachelor's or Master's degree. This course (team taught by scientists, cultural experts and educational professionals) enables participants to: (1) Study Hawai`i`s unique geology, geography and environmental issues in the context of Hawaiian culture and post Western contact; (2) Use course knowledge to develop, teach and assess Hawaii-oriented, project-based, inquiry activities that address the Hawaii Science Content Standards; (3) Gain an appreciation for the scientific method, and the curiosity that drives science (4) Use educational technology such as PowerPoint, graphing packages and web authoring software to develop electronic resources for educational activities. A sample of the lessons developed by course participants can be found on http://malama.hawaii.edu/schools/index2.html. This project is based at the University of Hawai`i College of Education and funded by an award to P. Chinn by the US Department of

  1. The fundamental constants a mystery of physics

    CERN Document Server

    Fritzsch, Harald

    2009-01-01

    The speed of light, the fine structure constant, and Newton's constant of gravity — these are just three among the many physical constants that define our picture of the world. Where do they come from? Are they constant in time and across space? In this book, physicist and author Harald Fritzsch invites the reader to explore the mystery of the fundamental constants of physics in the company of Isaac Newton, Albert Einstein, and a modern-day physicist

  2. Omnidirectional antenna having constant phase

    Energy Technology Data Exchange (ETDEWEB)

    Sena, Matthew

    2017-04-04

    Various technologies presented herein relate to constructing and/or operating an antenna having an omnidirectional electrical field of constant phase. The antenna comprises an upper plate made up of multiple conductive rings, a lower ground-plane plate, a plurality of grounding posts, a conical feed, and a radio frequency (RF) feed connector. The upper plate has a multi-ring configuration comprising a large outer ring and several smaller rings of equal size located within the outer ring. The large outer ring and the four smaller rings have the same cross-section. The grounding posts ground the upper plate to the lower plate while maintaining a required spacing/parallelism therebetween.

  3. Constant Proportion Debt Obligations (CPDOs)

    DEFF Research Database (Denmark)

    Cont, Rama; Jessen, Cathrine

    2012-01-01

    be made arbitrarily small—and thus the credit rating arbitrarily high—by increasing leverage, but the ratings obtained strongly depend on assumptions on the credit environment (high spread or low spread). More importantly, CPDO loss distributions are found to exhibit a wide range of tail risk measures......Constant Proportion Debt Obligations (CPDOs) are structured credit derivatives that generate high coupon payments by dynamically leveraging a position in an underlying portfolio of investment-grade index default swaps. CPDO coupons and principal notes received high initial credit ratings from...... the major rating agencies, based on complex models for the joint transition of ratings and spreads for all names in the underlying portfolio. We propose a parsimonious model for analysing the performance of CPDO strategies using a top-down approach that captures the essential risk factors of the CPDO. Our...

  4. Ka-Band, MEMS Switched Line Phase Shifters Implemented in Finite Ground Coplanar Waveguide

    Science.gov (United States)

    Scardelletti, Maximilian C.; Ponchak, George E.; Varaljay, Nicholas C.

    2005-01-01

    Ka-band MEMS switched line phase shifters implemented in finite ground coplanar waveguide are described in this paper. The phase shifters are constructed of single-pole double-throw (SPDT) switches with additional reference and phase offset transmission line lengths. The one- and two-bit phase shifters are fabricated on high resistivity (HR) silicon with a dielectric constant, Epsilon(sub T) = 11.7 and a substrate thickness, t = 500microns. The switching architectures integrated within the phase shifters consist of MEMS switches that are doubly anchored cantilever beam capacitive switches with additional high inductive sections (MEMS LC device). The SPDT switch is composed of a T-junction with a MEMS LC device at each output port. The one-bit phase shifter described in this paper has an insertion loss (IL) and return loss (RL) of 0.9 dB and 30 dB while the two-bit described has an IL and RL of 1.8 dB and 30 dB respectively. The one-bit phase shifter's designed offset phase is 22.5deg and actual measured phase shift is 21.8deg. The two-bit phase shifter's designed offset phase is 22.5deg, 45deg, and 67.5deg and the actual measured phase shifts are 21.4deg, 44.2deg, and 65.8deg, respectively.

  5. Correlation between Ka/Ks and Ks is related to substitution model and evolutionary lineage

    DEFF Research Database (Denmark)

    Li, Jun; Zhang, Zhang; Vang, Søren

    2009-01-01

    In 2005, Wyckoff and coworkers described a surprisingly strong correlation between Ka/Ks and Ks in several data sets using the LPB93 algorithm. This finding indicated the possibility of a paradigm shift in the way selection strength can be measured using the Ka/Ks ratio. We carried out a calculat......In 2005, Wyckoff and coworkers described a surprisingly strong correlation between Ka/Ks and Ks in several data sets using the LPB93 algorithm. This finding indicated the possibility of a paradigm shift in the way selection strength can be measured using the Ka/Ks ratio. We carried out...

  6. Demonstration of 4Gbit/s Duobinary Ka-Band Hybrid Photonic-Wireless Transmission

    DEFF Research Database (Denmark)

    Rommel, Simon; Yi, Lilin; Shi, Mengyue

    We demonstrate transmission of a 4Gbit/s duobinary signal over a Ka-band hybrid photonic-wireless link consisting of 12.5km SMF and 2m wireless distance, using RF carrier frequencies aligned with the Ka-band spectrum allocations for mobile communications.......We demonstrate transmission of a 4Gbit/s duobinary signal over a Ka-band hybrid photonic-wireless link consisting of 12.5km SMF and 2m wireless distance, using RF carrier frequencies aligned with the Ka-band spectrum allocations for mobile communications....

  7. Highly Perturbed pKa Values in the Unfolded State of Hen Egg White Lysozyme

    OpenAIRE

    Bradley, John; O'Meara, Fergal; Farrell, Damien; Nielsen, Jens Erik

    2012-01-01

    The majority of pKa values in protein unfolded states are close to the amino acid model pKa values, thus reflecting the weak intramolecular interactions present in the unfolded ensemble of most proteins. We have carried out thermal denaturation measurements on the WT and eight mutants of HEWL from pH 1.5 to pH 11.0 to examine the unfolded state pKa values and the pH dependence of protein stability for this enzyme. The availability of accurate pKa values for the folded state of HEWL and separa...

  8. Aikakauslehden uudet muodot : käyttöliittymä ja visuaalinen identiteetti monimediajulkaisuissa

    OpenAIRE

    Järvinen, Helmi

    2015-01-01

    Opinnäytetyö käsittelee aikakauslehteä käyttöliittymänä ja visuaalisena viestimenä. Opinnäytetyö pyrkii hahmottamaan digitaalisten julkaisukanavien vaikutuksia aikakauslehden käyttöliittymään ja lukukokemukseen. Lisäksi opinnäytetyössä syvennytään aikakauslehden visuaalisuuden tehtäviin ja osa-alueisiin sekä pohditaan, millaisia vaikutuksia digitaalisilla julkaisualustoilla on visuaalisen identiteetin suunnittelun kannalta. Opinnäytetyön menetelminä on käytetty kirj...

  9. Conceptual design of high power Ka-band radar transmitter

    Science.gov (United States)

    Bhanji, Alaudin; Hoppe, Daniel; Gillis, Peter

    1986-01-01

    A proposed conceptual design of a 400-kW CW Ka-band transmitter and associated microwave components to be used for planetary radar and serve as a prototype for future spacecraft uplinks is discussed. System requirements for such a transmitter are presented. Performance of the proposed high-power millimeter-wave tube, the gyroklystron, is discussed. Parameters of the proposed power amplifier, beam supply, and monitor and control devices are also presented. Microwave transmission-line components consisting of signal-monitoring devices, mode converter, and an overmoded corrugated feed are discussed. Finally, an assessment of the state-of-the-art technology to meet the system requirements is given, and possible areas of difficulty are summarized.

  10. Kierunek E-Książka. Gdzie i jak?

    OpenAIRE

    Biblioteka Uniwersytetu Łódzkiego

    2015-01-01

    Zapis dźwiękowy ze spotkania przebiegającego pod hasłem "Kierunek E-Książka. Gdzie i jak" organizowanego przez Bibliotekę UŁ oraz Wydawnictwo UŁ w ramach Międzynarodowego Tygodnia Czytania e-książek. Moderator spotkania - dr Kinga Klimczak. Celem wydarzenia jest zwiększenie zainteresowania e-nauką, szeroko rozumianą książką, w szczególności e-książką. Liczymy, że spotkanie zwiększy wiedzę o e-czytelnictwie i e-nauce oraz przyczyni się do podniesienia świadomości społeczeństwa o najnowszych te...

  11. Laiko kaštų apskaita regiono konkurencingumo didinimui

    OpenAIRE

    Šapkauskienė, Alfreda; Adlytė, Rūta

    2011-01-01

    Šiandieninėje, greitai kintančioje verslo aplinkoje regioninėms įmonėms neužtenka konkuruoti mažinant kaštus, gerinant paslaugų / produktų kokybę ar diegiant inovacijas. Mokslinėje literatūroje pabrėžiama, kad laikas tampa vienu svarbiausių strateginio valdymo veiksnių regioninėms įmonėms, siekiančioms įgyti konkurencinį pranašumą, bei didinantis regiono konkurencingumą. Tenka pripažinti, kad laiko veiksnys vis dar retai naudojamas valdymo sprendimams priimti. Spartūs globalizacijos tempai ir...

  12. Europium (III) and americium (III) stability constants with humic acid

    International Nuclear Information System (INIS)

    Torres, R.A.; Choppin, G.R.

    1984-01-01

    The stability constants for tracer concentrations of Eu(III) and Am(III) complexes with a humic acid extracted from a lake-bottom sediment were measured using a solvent extraction system. The organic extractant was di(2-ethylhexyl)-phosphoric acid in toluene while the humate aqueous phase had a constant ionic strength of 0.1 M (NaClO 4 ). Aqueous humic acid concentrations were monitored by measuring uv-visible absorbances at approx.= 380 nm. The total carboxylate capacity of the humic acid was determined by direct potentiometric titration to be 3.86 +- 0.03 meq/g. The humic acid displayed typical characteristics of a polyelectrolyte - the apparent pKsub(a), as well as the calculated metal ion stability constants increased as the degree of ionization (α) increased. The binding data required a fit of two stability constants, β 1 and β 2 , such that for Eu, log β 1 = 8.86 α + 4.39, log β 2 = 3.55 α + 11.06 while for Am, log β 1 = 10.58 α + 3.84, log β 2 = 5.32 α + 10.42. With hydroxide, carbonate, and humate as competing ligands, the humate complex associated with the β 1 constant is calculated to be the dominant species for the trivalent actinides and lanthanides under conditions present in natural waters. (orig.)

  13. Arrhenius Rate: constant volume burn

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-12-06

    A constant volume burn occurs for an idealized initial state in which a large volume of reactants at rest is suddenly raised to a high temperature and begins to burn. Due to the uniform spatial state, there is no fluid motion and no heat conduction. This reduces the time evolu tion to an ODE for the reaction progress variable. With an Arrhenius reaction rate, two characteristics of thermal ignition are illustrated: induction time and thermal runaway. The Frank-Kamenetskii approximation then leads to a simple expression for the adiabatic induction time. For a first order reaction, the analytic solution is derived and used to illustrate the effect of varying the activation temperature; in particular, on the induction time. In general, the ODE can be solved numerically. This is used to illustrate the effect of varying the reaction order. We note that for a first order reaction, the time evolution of the reaction progress variable has an exponential tail. In contrast, for a reaction order less than one, the reaction completes in a nite time. The reaction order also affects the induction time.

  14. Increasing Diversity in STEM through Ka Hikina O Ka Lā Summer Bridge Program for Native Hawaiian Students

    Science.gov (United States)

    Coopersmith, A.; Cie, D. K.; Calder, S.; Naho`olewa, D.; Rai, B.

    2014-12-01

    The Advanced Technology Solar Telescope (ATST) Mitigation Initiative and the Kahikina O Ka Lā Program are NSF-funded projects at the University of Hawai`i Maui College. These projects offer instruction and activities intended to increase diversity in STEM careers. Ke Alahaka, the 2014 summer bridge program, was offered to Native Hawaiian high-school students who indicated an interest in STEM areas. Content workshops were offered in Marine Science, Physics, Biotechnology, and Computer Science and Engineering as well as a Hawaiian Studies course designed to provide a cultural context for the STEM instruction. Focus groups and other program assessments indicate that 50% of the students attending the workshops intend to pursue a STEM major during their undergraduate studies.

  15. CONCENTRATION DEPENDENCE OF STERN LAYER CAPACITANCES AND SURFACE EQUILIBRIUM CONSTANTS IN SILICA-BASED NANOFLUIDIC CHANNELS

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, J.; Bruus, Henrik

    2010-01-01

    Fundamental understanding of the unique physics at the solid-liquid interface in nanofluidic channels is essential for the advancement of basic scientific knowledge and the development of novel applications for pharmaceuticals, environmental health and safety, energy harvesting and biometrics [1......]. The current models used to describe surface phenomena in nanofluidics can differ by orders of magnitude from experimentally measured values [2]. To mitigate the discrepancies, we hypothesize that the Stern-layer capacitance Cs and the surface equilibrium constants pKa, vary with the composition of the solid...

  16. Measuring Binding Affinity of Protein-Ligand Interaction Using Spectrophotometry: Binding of Neutral Red to Riboflavin-Binding Protein

    Science.gov (United States)

    Chenprakhon, Pirom; Sucharitakul, Jeerus; Panijpan, Bhinyo; Chaiyen, Pimchai

    2010-01-01

    The dissociation constant, K[subscript d], of the binding of riboflavin-binding protein (RP) with neutral red (NR) can be determined by titrating RP to a fixed concentration of NR. Upon adding RP to the NR solution, the maximum absorption peak of NR shifts to 545 nm from 450 nm for the free NR. The change of the absorption can be used to determine…

  17. ESR melting under constant voltage conditions

    Energy Technology Data Exchange (ETDEWEB)

    Schlienger, M.E.

    1997-02-01

    Typical industrial ESR melting practice includes operation at a constant current. This constant current operation is achieved through the use of a power supply whose output provides this constant current characteristic. Analysis of this melting mode indicates that the ESR process under conditions of constant current is inherently unstable. Analysis also indicates that ESR melting under the condition of a constant applied voltage yields a process which is inherently stable. This paper reviews the process stability arguments for both constant current and constant voltage operation. Explanations are given as to why there is a difference between the two modes of operation. Finally, constant voltage process considerations such as melt rate control, response to electrode anomalies and impact on solidification will be discussed.

  18. Lepton decay constants of light mesons

    International Nuclear Information System (INIS)

    Simonov, Yu. A.

    2016-01-01

    A theory of lepton decay constants based on the path-integral formalism is given for chiral and vector mesons. Decay constants of the pseudoscalar and vector mesons are calculated and compared to other existing results.

  19. Capacitive Cells for Dielectric Constant Measurement

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco

    2015-01-01

    A simple capacitive cell for dielectric constant measurement in liquids is presented. As an illustrative application, the cell is used for measuring the degradation of overheated edible oil through the evaluation of their dielectric constant.

  20. Critical survey of stability constants of EDTA complexes critical evaluation of equilibrium constants in solution stability constants of metal complexes

    CERN Document Server

    Anderegg, G

    2013-01-01

    Critical Survey of Stability Constants of EDTA Complexes focuses on the computations, values, and characteristics of stability constants. The book emphasizes that for a critical discussion of experimentally determined stability constants, it is important to consider the precision of the values that manifests the self-consistency of the constant, taking into consideration the random errors. The publication reviews the stability constants of metal complexes. The numerical calculations affirm the reactions and transformations of metal ions when exposed to varying conditions. The text also present

  1. Kõik, mis valesti sai minna, see on ka valesti läinud / George Soros

    Index Scriptorium Estoniae

    Soros, George, 1930-

    2008-01-01

    Ilmunud ka: Molodjozh Estonii : Biznes Sreda, Delovõje Vedomosti 6. veebr. lk. 10. Praegune finantskriis, mille käivitas kinnisvaramulli lõhkemine USA-s, tähistab ka dollari kui rahvusvahelisel reservvaluutal baseeruva laenuandmise laienemise ajastu lõppu

  2. Abaana Bange Na-Ka-Lwa for soprano saxophone in B flat, electric ...

    African Journals Online (AJOL)

    Abaana Bange Na-Ka-Lwa (My Children Na-Ka-Lwa) is programmatic in nature and reflects two major compositional influences of ethnic Ganda music and Western music. The instrumentation is Western, whereas the style is broadly Ganda because of the extensive use of the pentatonic scale, fixed harmony, polymeters ...

  3. Nii Finnairil kui ka SASil väga head majandustulemused / Tõnis Arnover

    Index Scriptorium Estoniae

    Arnover, Tõnis, 1952-

    2005-01-01

    Lennukompaniide Finnair ja SAS teise kvartali majandustulemused ületasid nii analüütikute kui ka firmajuhtide prognoosid, kasumit on aidanud tõsta piletihinnatõus ja käibe kasv. Diagrammid: Põhjamaistel lennufirmadel teine kvartal sel aastal selgelt esimesest parem. Vt. samas: Ka SAS tõstab piletihindasid; Põhiline ebakindlustegur - kütuse hind

  4. Development of a thermally switched superconducting rectifier for 100 kA

    NARCIS (Netherlands)

    Mulder, G.B.J.; Mulder, G.B.J.; ten Kate, Herman H.J.; Krooshoop, Hendrikus J.G.; van de Klundert, L.J.M.; van de Klundert, L.J.M.

    1991-01-01

    A full-wave superconducting rectifier for 100 kA has been developed. Typical design values of this device are: a secondary current of 100 kA, a primary amplitude of 20 A, an operating frequency of 0.5 Hz, and an average power on the order of 100 W. The rectification is achieved by means of thermally

  5. Surprises in numerical expressions of physical constants

    OpenAIRE

    Amir, Ariel; Lemeshko, Mikhail; Tokieda, Tadashi

    2016-01-01

    In science, as in life, `surprises' can be adequately appreciated only in the presence of a null model, what we expect a priori. In physics, theories sometimes express the values of dimensionless physical constants as combinations of mathematical constants like pi or e. The inverse problem also arises, whereby the measured value of a physical constant admits a `surprisingly' simple approximation in terms of well-known mathematical constants. Can we estimate the probability for this to be a me...

  6. Searching for Kaprekar's constants: algorithms and results

    Directory of Open Access Journals (Sweden)

    Byron L. Walden

    2005-01-01

    Full Text Available We examine some new results on Kaprekar's constants, specifically establishing the unique 7-digit (in base 4 and 9-digit (in base 5 Kaprekar's constants and showing that there are no 15-, 21-, 27-, or 33-digit Kaprekar's constants.

  7. Generalized Euler constants for arithmetical progressions

    Science.gov (United States)

    Dilcher, Karl

    1992-07-01

    The work of Lehmer and Briggs on Euler constants in arithmetical progressions is extended to the generalized Euler constants that arise in the Laurent expansion of ζ(s) about s = 1 . The results are applied to the summation of several classes of slowly converging series. A table of the constants is provided.

  8. Binding Of Ferrocyphen By Sds, Ctab And Triton X-100 In Water ...

    African Journals Online (AJOL)

    SDS), cetyltrimethylammonium bromide (CTAB) and Triton X-100 surfactants was studied spectrophotometrically in water-ethanol medium. The equilibrium binding constant (Kb) and the number of binding sites (n) per surfactant monomer were ...

  9. Ka Hana `Imi Na`auao: A Science Curriculum Project

    Science.gov (United States)

    Napeahi, K.; Roberts, K. D.; Galloway, L. M.; Stodden, R. A.; Akuna, J.; Bruno, B.

    2005-12-01

    In antiquity, the first people to step foot on what are now known as the Hawaiian islands skillfully traversed the Pacific Ocean using celestial navigation and learned observations of scientific phenomena. Long before the Western world ventured beyond the horizon, Hawaiians had invented the chronometer, built aqueduct systems (awai) that continue to amaze modern engineers, and had preventive health systems as well as a comprehensive knowledge of medicinal plants (including antivirals) which only now are working their way through trials for use in modern pharmacopia. Yet, today, Native Hawaiians are severely underrepresented in science-related fields, reflecting (in part) a failure of the Western educational system to nurture the potential of these resourceful students, particularly the many "at-risk" students who are presently over-represented in special education. A curriculum which draws from and incorporates traditional Hawaiian values and knowledge is needed to reinforce links to the inquiry process which nurtured creative thinking during the renaissance of Polynesian history. The primary goal of the Ka Hana `Imi Na`auao Project (translation: `science` or `work in which you seek enlightenment, knowledge or wisdom`) is to increase the number of Native Hawaiian adults in science-related postsecondary education and employment fields. Working closely with Native Hawaiian cultural experts and our high school partners, we will develop and implement a culturally responsive 11th and 12th grade high school science curriculum, infused with math, literacy and technology readiness skills. Software and assistive technology will be used to adapt instruction to individual learners` reading levels, specific disabilities and learning styles. To ease the transition from secondary to post-secondary education, selected grade 12 students will participate in planned project activities that link high school experiences with college science-related programs of study. Ka Hana `Imi Na

  10. Differential dissociation micromethod for the investigation of binding of metandrostenolone (Nerobol) to plasma proteins

    International Nuclear Information System (INIS)

    Bojadzsieva, Milka; Kocsar, Laszlo; Kremmer, Tibor

    1985-01-01

    A micromethod was developed to determine the binding of anabolic streoids to plasma proteins. The new procedure combines precipitation with ammonium sulphate and differential dissociation. The binding parameters (association constant, specific binding capacity) are calculated on the basis of dissociation curves of sup(3)H-metandrostenolone from the precipitated sexual binding globuline. (L.E.)

  11. Differential dissociation micromethod for the investigation of binding of metandrostenolone (Nerobol) to plasma proteins

    Energy Technology Data Exchange (ETDEWEB)

    Bojadzsieva, M.; Kocsar, L. (Orszagos Frederic Joliot-Curie Sugarbiologiai es Sugaregeszseguegyi Kutato Intezet, Budapest (Hungary)); Kremmer, T. (Orszagos Onkologiai Intezet, Budapest (Hungary))

    1985-01-01

    A micromethod was developed to determine the binding of anabolic steroids to plasma proteins. The new procedure combines precipitation with ammonium sulphate and differential dissociation. The binding parameters (association constant, specific binding capacity) are calculated on the basis of dissociation curves of sup(3)H-metandrostenolone from the precipitated sexual binding globuline.

  12. Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding

    DEFF Research Database (Denmark)

    Duedal, Troels; Nielsen, Kent; Olsen, Gunnar

    2017-01-01

    The dual-analyte responsive behavior of tetraTTF-calix[4]pyrrole receptor 1 has shown to complex electron-deficient planar guests in a 2:1 fashion in the so-called 1,3-alternate conformation. However, stronger 1:1 complexes have been demonstrated with tetraalkylammonium halide salts that defer...... receptor 1 to its so-called cone conformation. Herein, we report the complexation of an electron-deficient planar guest, namely 1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA, 2), that champions the complexation with 1 resulting in a very high association constant Ka = 3 × 1010 M−2...

  13. Kinase Associated-1 Domains Drive MARK/PAR1 Kinases to Membrane Targets by Binding Acidic Phospholipids

    Energy Technology Data Exchange (ETDEWEB)

    Moravcevic, Katarina; Mendrola, Jeannine M.; Schmitz, Karl R.; Wang, Yu-Hsiu; Slochower, David; Janmey, Paul A.; Lemmon, Mark A. (UPENN-MED)

    2011-09-28

    Phospholipid-binding modules such as PH, C1, and C2 domains play crucial roles in location-dependent regulation of many protein kinases. Here, we identify the KA1 domain (kinase associated-1 domain), found at the C terminus of yeast septin-associated kinases (Kcc4p, Gin4p, and Hsl1p) and human MARK/PAR1 kinases, as a membrane association domain that binds acidic phospholipids. Membrane localization of isolated KA1 domains depends on phosphatidylserine. Using X-ray crystallography, we identified a structurally conserved binding site for anionic phospholipids in KA1 domains from Kcc4p and MARK1. Mutating this site impairs membrane association of both KA1 domains and intact proteins and reveals the importance of phosphatidylserine for bud neck localization of yeast Kcc4p. Our data suggest that KA1 domains contribute to coincidence detection, allowing kinases to bind other regulators (such as septins) only at the membrane surface. These findings have important implications for understanding MARK/PAR1 kinases, which are implicated in Alzheimer's disease, cancer, and autism.

  14. Insulin binding to individual rat skeletal muscles

    International Nuclear Information System (INIS)

    Koerker, D.J.; Sweet, I.R.; Baskin, D.G.

    1990-01-01

    Studies of insulin binding to skeletal muscle, performed using sarcolemmal membrane preparations or whole muscle incubations of mixed muscle or typical red (soleus, psoas) or white [extensor digitorum longus (EDL), gastrocnemius] muscle, have suggested that red muscle binds more insulin than white muscle. We have evaluated this hypothesis using cryostat sections of unfixed tissue to measure insulin binding in a broad range of skeletal muscles; many were of similar fiber-type profiles. Insulin binding per square millimeter of skeletal muscle slice was measured by autoradiography and computer-assisted densitometry. We found a 4.5-fold range in specific insulin tracer binding, with heart and predominantly slow-twitch oxidative muscles (SO) at the high end and the predominantly fast-twitch glycolytic (FG) muscles at the low end of the range. This pattern reflects insulin sensitivity. Evaluation of displacement curves for insulin binding yielded linear Scatchard plots. The dissociation constants varied over a ninefold range (0.26-2.06 nM). Binding capacity varied from 12.2 to 82.7 fmol/mm2. Neither binding parameter was correlated with fiber type or insulin sensitivity; e.g., among three muscles of similar fiber-type profile, the EDL had high numbers of low-affinity binding sites, whereas the quadriceps had low numbers of high-affinity sites. In summary, considerable heterogeneity in insulin binding was found among hindlimb muscles of the rat, which can be attributed to heterogeneity in binding affinities and the numbers of binding sites. It can be concluded that a given fiber type is not uniquely associated with a set of insulin binding parameters that result in high or low binding

  15. Insulin binding to individual rat skeletal muscles

    Energy Technology Data Exchange (ETDEWEB)

    Koerker, D.J.; Sweet, I.R.; Baskin, D.G. (Univ. of Washington, Seattle (USA))

    1990-10-01

    Studies of insulin binding to skeletal muscle, performed using sarcolemmal membrane preparations or whole muscle incubations of mixed muscle or typical red (soleus, psoas) or white (extensor digitorum longus (EDL), gastrocnemius) muscle, have suggested that red muscle binds more insulin than white muscle. We have evaluated this hypothesis using cryostat sections of unfixed tissue to measure insulin binding in a broad range of skeletal muscles; many were of similar fiber-type profiles. Insulin binding per square millimeter of skeletal muscle slice was measured by autoradiography and computer-assisted densitometry. We found a 4.5-fold range in specific insulin tracer binding, with heart and predominantly slow-twitch oxidative muscles (SO) at the high end and the predominantly fast-twitch glycolytic (FG) muscles at the low end of the range. This pattern reflects insulin sensitivity. Evaluation of displacement curves for insulin binding yielded linear Scatchard plots. The dissociation constants varied over a ninefold range (0.26-2.06 nM). Binding capacity varied from 12.2 to 82.7 fmol/mm2. Neither binding parameter was correlated with fiber type or insulin sensitivity; e.g., among three muscles of similar fiber-type profile, the EDL had high numbers of low-affinity binding sites, whereas the quadriceps had low numbers of high-affinity sites. In summary, considerable heterogeneity in insulin binding was found among hindlimb muscles of the rat, which can be attributed to heterogeneity in binding affinities and the numbers of binding sites. It can be concluded that a given fiber type is not uniquely associated with a set of insulin binding parameters that result in high or low binding.

  16. Bismuth solubility through binding by various organic compounds and naturally occurring soil organic matter.

    Science.gov (United States)

    Murata, Tomoyoshi

    2010-01-01

    The present study was performed to examine the effects of soluble organic matter and pH on the solubility of Bi in relation to inference with the behavior of metallic Bi dispersed in soil and water environments using EDTA, citric acid, tartaric acid, L-cysteine, soil humic acids (HA), and dissolved organic matter (DOM) derived from the soil organic horizon. The solubility of Bi by citric acid, tartaric acid, L-cysteine, HA, and DOM showed pH dependence, while that by EDTA did not. Bi solubility by HA seemed to be related to the distribution of pKa (acid dissociation constant) values of acidic functional groups in their molecules. That is, HA extracted at pH 3.2 solubilized Bi preferentially in the acidic range, while HA extracted at pH 8.4 showed preferential solubilization at neutral and alkaline pH. This was related to the dissociation characteristics of functional groups, their binding capacity with Bi, and precipitation of Bi carbonate or hydroxides. In addition to the dissociation characteristics of functional groups, the unique structural configuration of the HA could also contribute to Bi-HA complex formation. The solubility of Bi by naturally occurring DOM derived from the soil organic horizon (Oi) and its pH dependence were different from those associated with HA and varied among tree species.

  17. Design of Ka-band antipodal finline mixer and detector

    International Nuclear Information System (INIS)

    Yao Changfei; Xu Jinping; Chen Mo

    2009-01-01

    This paper mainly discusses the analysis and design of a finline single-ended mixer and detector. In the circuit, for the purpose of eliminating high-order resonant modes and improving transition loss, metallic via holes are implemented along the mounting edge of the substrate embedded in the split-block of the WG-finline-microstrip transition. Meanwhile, a Ka band slow-wave and bandstop filter, which represents a reactive termination, is designed for the utilization of idle frequencies and operation frequencies energy. Full-wave analysis is carried out to optimize the input matching network of the mixer and the detector circuit using lumped elements to model the nonlinear diode. The exported S-matrix of the optimized circuit is used for conversion loss and voltage sensitivity analysis. The lowest measured conversion loss is 3.52 dB at 32.2 GHz; the conversion loss is flat and less than 5.68 dB in the frequency band of 29-34 GHz. The highest measured zero-bias voltage sensitivity is 1450 mV/mW at 38.6 GHz, and the sensitivity is better than 1000 mV/mW in the frequency band of 38-40 GHz.

  18. Paleointensities on 8 ka obsidian from Mayor Island, New Zealand

    Directory of Open Access Journals (Sweden)

    A. Ferk

    2011-11-01

    Full Text Available The 8 ka BP (6050 BCE pantelleritic obsidian flow on Mayor Island, Bay of Plenty, New Zealand, has been investigated using 30 samples from two sites. Due to a very high paramagnetic/ferromagnetic ratio, it was not possible to determine the remanence carriers. This is despite the fact that the samples were studied intensively at low, room, and high temperatures. We infer that a stable remanence within the samples is carried by single- or close to single-domain particles. Experiments to determine the anisotropy of thermoremanence tensor and the dependency on cooling rate were hampered due to alteration resulting from the repeated heating of the samples to temperatures just below the glass transition. Nonetheless, a well-defined mean paleointensity of 57.0 ± 1.0 μT, based on individual high quality paleointensity determinations, was obtained. This field value compares very well to a paleointensity of 58.1 ± 2.9 μT, which Tanaka et al. (2009 obtained for 5500 BCE at a site 100 km distant. Agreement with geomagnetic field models, however, is poor. Thus, gathering more high-quality paleointensity data for the Pacific region and for the southern hemisphere in general to better constrain global field models is very important.

  19. Analysis of Fade Detection and Compensation Experimental Results in a Ka-Band Satellite System. Degree awarded by Akron Univ., May 2000

    Science.gov (United States)

    Johnson, Sandra

    2001-01-01

    The frequency bands being used for new satellite communication systems are constantly increasing to accommodate the requirements for additional capacity. At these higher frequencies, propagation impairments that did not significantly affect the signal at lower frequencies begin to have considerable impact. In Ka-band, the next logical commercial frequency band to be used for satellite communication, attenuation of the signal due to rain is a primary concern. An experimental satellite built by NASA, the Advanced Communication Technology Satellite (ACTS), launched in September 1993, is the first US communication satellite operating in the Ka-band. In addition to higher carrier frequencies, a number of other new technologies, including onboard baseband processing, multiple beam antennas, and rain fade detection and compensation techniques, were designed into the ACTS. Verification experiments have been conducted since the launch to characterize the new technologies. The focus of this thesis is to describe and validate the method used by the ACTS Very Small Aperture Terminal (VSAT) ground stations in detecting the presence of fade in the communication signal and to adaptively compensate for it by the addition of burst rate reduction and forward error correction. Measured data obtained from the ACTS program is used to validate the compensation technique. In this thesis, models in MATLAB are developed to statistically characterize the increased availability achieved by the compensation techniques in terms of the bit error rate time enhancement factor. Several improvements to the ACTS technique are discussed and possible implementations for future Ka-band systems are also presented.

  20. Molecular dynamics simulation reveals insights into the mechanism of unfolding by the A130T/V mutations within the MID1 zinc-binding Bbox1 domain.

    Directory of Open Access Journals (Sweden)

    Yunjie Zhao

    Full Text Available The zinc-binding Bbox1 domain in protein MID1, a member of the TRIM family of proteins, facilitates the ubiquitination of the catalytic subunit of protein phosphatase 2A and alpha4, a protein regulator of PP2A. The natural mutation of residue A130 to a valine or threonine disrupts substrate recognition and catalysis. While NMR data revealed the A130T mutant Bbox1 domain failed to coordinate both structurally essential zinc ions and resulted in an unfolded structure, the unfolding mechanism is unknown. Principle component analysis revealed that residue A130 served as a hinge point between the structured β-strand-turn-β-strand (β-turn-β and the lasso-like loop sub-structures that constitute loop1 of the ββα-RING fold that the Bbox1 domain adopts. Backbone RMSD data indicate significant flexibility and departure from the native structure within the first 5 ns of the molecular dynamics (MD simulation for the A130V mutant (>6 Å and after 30 ns for A130T mutant (>6 Å. Overall RMSF values were higher for the mutant structures and showed increased flexibility around residues 125 and 155, regions with zinc-coordinating residues. Simulated pKa values of the sulfhydryl group of C142 located near A130 suggested an increased in value to ~9.0, paralleling the increase in the apparent dielectric constants for the small cavity near residue A130. Protonation of the sulfhydryl group would disrupt zinc-coordination, directly contributing to unfolding of the Bbox1. Together, the increased motion of residues of loop 1, which contains four of the six zinc-binding cysteine residues, and the increased pKa of C142 could destabilize the structure of the zinc-coordinating residues and contribute to the unfolding.

  1. The rise and fall of Lake Bonneville between 45 and 10.5 ka

    Science.gov (United States)

    Benson, L.V.; Lund, S.P.; Smoot, J.P.; Rhode, D.E.; Spencer, R.J.; Verosub, K.L.; Louderback, L.A.; Johnson, C.A.; Rye, R.O.; Negrini, R.M.

    2011-01-01

    A sediment core taken from the western edge of the Bonneville Basin has provided high-resolution proxy records of relative lake-size change for the period 45.1-10.5 calendar ka (hereafter ka). Age control was provided by a paleomagnetic secular variation (PSV)-based age model for Blue Lake core BL04-4. Continuous records of ??18O and total inorganic carbon (TIC) generally match an earlier lake-level envelope based on outcrops and geomorphic features, but with differences in the timing of some hydrologic events/states. The Stansbury Oscillation was found to consist of two oscillations centered on 25 and 24 ka. Lake Bonneville appears to have reached its geomorphic highstand and began spilling at 18.5 ka. The fall from the highstand to the Provo level occurred at 17.0 ka and the lake intermittently overflowed at the Provo level until 15.2 ka, at which time the lake fell again, bottoming out at ~14.7 ka. The lake also fell briefly below the Provo level at ~15.9 ka. Carbonate and ??18O data indicate that between 14.7 and 13.1 ka the lake slowly rose to the Gilbert shoreline and remained at about that elevation until 11.6 ka, when it fell again. Chemical and sedimentological data indicate that a marsh formed in the Blue Lake area at 10.5 ka.Relatively dry periods in the BL04-4 records are associated with Heinrich events H1-H4, suggesting that either the warming that closely followed a Heinrich event increased the evaporation rate in the Bonneville Basin and (or) that the core of the polar jet stream (PJS) shifted north of the Bonneville Basin in response to massive losses of ice from the Laurentide Ice Sheet (LIS) during the Heinrich event. The second Stansbury Oscillation occurred during Heinrich event H2, and the Gilbert wet event occurred during the Younger Dryas cold interval. Several relatively wet events in BL04-4 occur during Dansgaard-Oeschger (DO) warm events.The growth of the Bear River glacier between 32 and 17 ka paralleled changes in the values of proxy

  2. Comparing the Titrations of Mixed-Acid Solutions Using Dropwise and Constant-Flow Techniques

    Science.gov (United States)

    Charlesworth, Paul; Seguin, Matthew J.; Chesney, David J.

    2003-11-01

    A mixed-acid solution containing hydrochloric and phosphoric acids was used to determine the error associated with performing a real-time titration. The results were compared against those obtained by performing the titration in a more traditional dropwise addition of titrant near the equivalence points. It was found that the real-time techniques resulted in significantly decreased analysis times while maintaining a low experimental error. The constant-flow techniques were implemented into two different levels of chemistry. It was found that students could successfully utilize the modified experiments. Problems associated with the techniques, major sources of error, and their solutions are discussed. In both cases, the use of the constant-flow setup has increased student recollection of key concepts, such as pKa determination, proper indicator choice, and recognizing the shape of specific titration curves by increasing student interest in the experiment.

  3. Mechanism of the binding of Z-L-tryptophan and Z-L-phenylalanine to thermolysin and stromelysin-1 in aqueous solutions

    OpenAIRE

    Ceruso, Mariangela; Howe, Nicole; Malthouse, J.Paul G.

    2012-01-01

    The chemical shift of the carboxylate carbon of Z-tryptophan is increased from 179.85 to 182.82 ppm and 182.87 on binding to thermolysin and stromelysin-1 respectively. The chemical shift of Z-phenylalanine is also increased from 179.5 ppm to 182.9 ppm on binding to thermolysin. From pH studies we conclude that the pKa of the inhibitor carboxylate group is lowered by at least 1.5 pKa units when it binds to either enzyme. The signal at ~183 ppm is no longer observed when the active site zinc a...

  4. Characterizing low affinity epibatidine binding to α4β2 nicotinic acetylcholine receptors with ligand depletion and nonspecific binding

    Directory of Open Access Journals (Sweden)

    Person Alexandra M

    2011-11-01

    Full Text Available Abstract Background Along with high affinity binding of epibatidine (Kd1≈10 pM to α4β2 nicotinic acetylcholine receptor (nAChR, low affinity binding of epibatidine (Kd2≈1-10 nM to an independent binding site has been reported. Studying this low affinity binding is important because it might contribute understanding about the structure and synthesis of α4β2 nAChR. The binding behavior of epibatidine and α4β2 AChR raises a question about interpreting binding data from two independent sites with ligand depletion and nonspecific binding, both of which can affect equilibrium binding of [3H]epibatidine and α4β2 nAChR. If modeled incorrectly, ligand depletion and nonspecific binding lead to inaccurate estimates of binding constants. Fitting total equilibrium binding as a function of total ligand accurately characterizes a single site with ligand depletion and nonspecific binding. The goal of this study was to determine whether this approach is sufficient with two independent high and low affinity sites. Results Computer simulations of binding revealed complexities beyond fitting total binding for characterizing the second, low affinity site of α4β2 nAChR. First, distinguishing low-affinity specific binding from nonspecific binding was a potential problem with saturation data. Varying the maximum concentration of [3H]epibatidine, simultaneously fitting independently measured nonspecific binding, and varying α4β2 nAChR concentration were effective remedies. Second, ligand depletion helped identify the low affinity site when nonspecific binding was significant in saturation or competition data, contrary to a common belief that ligand depletion always is detrimental. Third, measuring nonspecific binding without α4β2 nAChR distinguished better between nonspecific binding and low-affinity specific binding under some circumstances of competitive binding than did presuming nonspecific binding to be residual [3H]epibatidine binding after

  5. Substituent Effects on the Coordination Chemistry of Metal-Binding Pharmacophores

    Energy Technology Data Exchange (ETDEWEB)

    Craig, Whitney R. [Department; Baker, Tessa W. [Department; Marts, Amy R. [Department; DeGenova, Daniel T. [Department; Martin, David P. [Department; Reed, Garrett C. [Department; McCarrick, Robert M. [Department; Crowder, Michael W. [Department; Cohen, Seth M. [Department; Tierney, David L. [Department

    2017-09-12

    A combination of XAS, UV–vis, NMR, and EPR was used to examine the binding of a series of α-hydroxythiones to CoCA. All three appear to bind preferentially in their neutral, protonated forms. Two of the three clearly bind in a monodentate fashion, through the thione sulfur alone. Thiomaltol (TM) appears to show some orientational preference, on the basis of the NMR, while it appears that thiopyromeconic acid (TPMA) retains rotational freedom. In contrast, allothiomaltol (ATM), after initially binding in its neutral form, presumably through the thione sulfur, forms a final complex that is five-coordinate via bidentate coordination of ATM. On the basis of optical titrations, we speculate that this may be due to the lower initial pKa of ATM (8.3) relative to those of TM (9.0) and TPMA (9.5). Binding through the thione is shown to reduce the hydroxyl pKa by ~0.7 pH unit on metal binding, bringing only ATM’s pKa close to the pH of the experiment, facilitating deprotonation and subsequent coordination of the hydroxyl. The data predict the presence of a solvent-exchangeable proton on TM and TPMA, and Q-band 2-pulse ESEEM experiments on CoCA + TM suggest that the proton is present. ESE-detected EPR also showed a surprising frequency dependence, giving only a subset of the expected resonances at X-band.

  6. The importance of being (a) constant

    International Nuclear Information System (INIS)

    Levy-Leblond, J.-M.

    1979-01-01

    The author intends to show how the epistemological status of the physical constants bears witness to the development of physical science in general. He classifies the various physical constants into three types, properties of particular physical objects, characteristics of classes of physical phenomena and universal constants. He discusses the phenomena of fundamental constants experiencing a change in their type, at length on the example of two important constants, c and G. He considers Planck's constant and discusses the conceptual role of universal constants in general, as well as some aspects of quantum mechanics which appear in a new light from the proposed point of view. The existence is shown of hidden universal constants, forgotten ones in the realm of classical physics, as well as overlooked ones in modern physics. The velocity of light is studied as an example of general considerations on universal constants, and as a way to approach some epistemological problems of special relativity. Newton's gravitational constant is studied in connection with the interpretation of general relativity. (Auth./C.F.)

  7. Ka-Band Parabolic Deployable Antenna (KaPDA) Enabling High Speed Data Communication for CubeSats

    Science.gov (United States)

    Sauder, Jonathan F.; Chahat, Nacer; Hodges, Richard; Thomson, Mark W.; Rahmat-Samii, Yahya

    2015-01-01

    CubeSats are at a very exciting point as their mission capabilities and launch opportunities are increasing. But as instruments become more advanced and operational distances between CubeSats and earth increase communication data rate becomes a mission-limiting factor. Improving data rate has become critical enough for NASA to sponsor the Cube Quest Centennial Challenge when: one of the key metrics is transmitting as much data as possible from the moon and beyond Currently, many CubeSats communicate on UHF bands and those that have high data rate abilities use S-band or X-band patch antennas. The CubeSat Aneas, which was launched in September 2012, pushed the envelope with a half-meter S-band dish which could achieve 100x the data rate of patch antennas. A half-meter parabolic antenna operating at Ka-band would increase data rates by over 100x that of the AMOS antenM and 10,000 that of X-band patch antennas.

  8. Coeval ages of Australasian, Central American and Western Canadian tektites reveal multiple impacts 790 ka ago

    Science.gov (United States)

    Schwarz, Winfried H.; Trieloff, Mario; Bollinger, Klemens; Gantert, Niklas; Fernandes, Vera A.; Meyer, Hans-Peter; Povenmire, Hal; Jessberger, Elmar K.; Guglielmino, Massimo; Koeberl, Christian

    2016-04-01

    High resolution 40Ar-39Ar step heating dating of australites and indochinites, representing a large area of the Australasian strewn field, and more recently discovered tektite-like glasses from Central America (Belize) and Western Canada, were carried out. Precise plateau ages were obtained in all cases, yielding indistinguishable ages of 789 ± 9 ka for four australites, 783 ± 5 ka for four indochinites, 783 ± 17 ka for one Western Canadian and 769 ± 16 ka for one Belize impact glass. Concerning major elements and REEs, australites and the Western Canadian impact glass are indistinguishable. If the Western Canadian sample was transported by impact ejection and belongs to the Australasian strewn field, this implies extremely far ballistic transport of 9000 km distance, assuming a source crater in southern Asia. The distinct major element and REE composition of the Belize impact glass suggests formation in another separate impact event. We conclude that the Australasian/Western Canadian impact glasses formed 785 ± 7 ka ago in a single event and Belize impact glass in a separate event 769 ± 16 ka ago. The two impact events forming these two strewn fields occurred remarkably closely related in time, i.e., separated by <30 ka.

  9. Historical review of bryological research in Fruška Gora Mt. (Serbia

    Directory of Open Access Journals (Sweden)

    Ilić Miloš M.

    2016-01-01

    Full Text Available Fruška Gora is a mountain located in the southern part of Pannonian plane and it is poorly bryologicaly investigated as well as most parts of Serbia. First data on bryophytes, for this region, were published in 1949 by Teodor Soška in his paper Pregled mahovina i lišajeva u okolini Beograda (Review of mosses and lichens in the vicinity of Belgrade. Soška listed 34 species of mosses and 8 liverworts species for this region. Later, in 1955, Zlatko Pavletić in his capital work Prodromus flore briofita Jugoslavije (Prodromus of Yugoslavian bryophyte flora, stated 26 moss species and 3 liverwort species, without indicating specific localities, but all of them were Soška’s original results. In 1966, the second botanist with original findings of bryophytes on Fruška Gora was Popović, who recorded 2 liverwort and 19 moss species, for this mountain, also without specific localities. By far, the most comprehensive data were given by Cvetić and Sabovljević in 2004. Their study A contribution to the bryophyte flora of Fruška Gora (Vojvodina, Serbia counted total number of 118 mosses and 14 liverworts, on 16 localities within National park Fruška Gora. The latest study on bryophytes of Fruška Gora was in 2013, and it is the first and so far, the last study of bryophyte assemblages on grasslands. Authors of this paper recorded 18 species of mosses from 29 releveé. Complete bryophyte flora of Fruška Gora is still unknown. Considering the fact that this is the region with high biodiversity, dense hydrological network and a rather complex geology, Fruška Gora certainly deserves further bryological researches.

  10. Experimental Approaches for Measuring pKa's in RNA and DNA

    Science.gov (United States)

    Thaplyal, Pallavi; Bevilacqua, Philip C.

    2017-01-01

    RNA and DNA carry out diverse functions in biology including catalysis, splicing, gene regulation, and storage of genetic information. Interest has grown in understanding how nucleic acids perform such sophisticated functions given their limited molecular repertoire. RNA can fold into diverse shapes that often perturb pKa values and allow it to ionize appreciably under biological conditions, thereby extending its molecular diversity. The goal of this article is to enable experimental measurement of pKa's in RNA and DNA. A number of experimental methods for measuring pKa values in RNA and DNA have been developed over the last ten years, including RNA cleavage kinetics; UV-, fluorescence-, and NMR-detected pH titrations; and Raman crystallography. We begin with general considerations for choosing a pKa assay and then describe experimental conditions, advantages and disadvantages for these methods. Potential pitfalls in measuring a pKa are provided including the presence of apparent pKa's due to a kinetic pKa or coupled acid- and alkali-promoted RNA unfolding, as well as RNA degradation, precipitation of metal hydroxides and poor baselines. Use of multiple data fitting procedures and the study of appropriate mutants are described as ways to avoid some of these pitfalls. Application of these experimental methods to RNA and DNA will increase the number of nucleic acid pKa values in the literature, which should deepen insight into biology and provide benchmarks for calculations. Future directions for measuring pKa's in nucleic acids are discussed. PMID:25432750

  11. Demonstration of specific binding sites for /sup 3/H-RRR-alpha-tocopherol on human erythrocytes

    Energy Technology Data Exchange (ETDEWEB)

    Kitabchi, A.E.; Wimalasena, J.

    1982-01-01

    Previous work from our laboratory demonstrated specific binding sites for /sup 3/H-RRR-alpha-tocopherol (/sup 3/H-d alpha T) in membranes of rat adrenal cells. As tocopherol deficiency is associated with increased susceptibility of red blood cells to hemolysis, we investigated tocopherol binding sites in human RBCs. Erythrocytes were found to have specific binding sites for /sup 3/H-d alpha T that exhibited saturability and time and cell-concentration dependence as well as reversibility of binding. Kinetic studies of binding demonstrated two binding sites--one with high affinity (Ka of 2.6 x 10(7) M-1), low capacity (7,600 sites per cell) and the other with low affinity (1.2 x 10(6) M-1), high capacity (150,000 sites per cell). In order to localize the binding sites further, RBCs were fractionated and greater than 90% of the tocopherol binding was located in the membranes. Similar to the findings in intact RBCs, the membranes exhibited two binding sites with a respective Ka of 3.3 x 10(7) M-1 and 1.5 x 10(6) M-1. Specificity data for binding demonstrated 10% binding for RRR-gamma-tocopherol, but not other tocopherol analog exhibited competition for /sup 3/H-d alpha T binding sites. Instability data suggested a protein nature for these binding sites. Preliminary studies on Triton X-100 solubilized fractions resolved the binding sites to a major component with an Mr of 65,000 and a minor component with an Mr of 125,000. We conclude that human erythrocyte membranes contain specific binding sites for RRR-alpha-tocopherol. These sites may be of physiologic significance in the function of tocopherol on the red blood cell membrane.

  12. Demonstration of specific binding sites for 3H-RRR-alpha-tocopherol on human erythrocytes

    International Nuclear Information System (INIS)

    Kitabchi, A.E.; Wimalasena, J.

    1982-01-01

    Previous work from our laboratory demonstrated specific binding sites for 3 H-RRR-alpha-tocopherol ( 3 H-d alpha T) in membranes of rat adrenal cells. As tocopherol deficiency is associated with increased susceptibility of red blood cells to hemolysis, we investigated tocopherol binding sites in human RBCs. Erythrocytes were found to have specific binding sites for 3 H-d alpha T that exhibited saturability and time and cell-concentration dependence as well as reversibility of binding. Kinetic studies of binding demonstrated two binding sites--one with high affinity (Ka of 2.6 x 10(7) M-1), low capacity (7,600 sites per cell) and the other with low affinity (1.2 x 10(6) M-1), high capacity (150,000 sites per cell). In order to localize the binding sites further, RBCs were fractionated and greater than 90% of the tocopherol binding was located in the membranes. Similar to the findings in intact RBCs, the membranes exhibited two binding sites with a respective Ka of 3.3 x 10(7) M-1 and 1.5 x 10(6) M-1. Specificity data for binding demonstrated 10% binding for RRR-gamma-tocopherol, but not other tocopherol analog exhibited competition for 3 H-d alpha T binding sites. Instability data suggested a protein nature for these binding sites. Preliminary studies on Triton X-100 solubilized fractions resolved the binding sites to a major component with an Mr of 65,000 and a minor component with an Mr of 125,000. We conclude that human erythrocyte membranes contain specific binding sites for RRR-alpha-tocopherol. These sites may be of physiologic significance in the function of tocopherol on the red blood cell membrane

  13. 40 kA dumping system for the ISR beams

    International Nuclear Information System (INIS)

    Schnuriger, J.C.

    1975-01-01

    The kinetic energy of the proton beam of each ISR is W = I x E x T/sub rev/. With the maximum value of current achieved so far in the ISR I approximately equal to 30 A, a proton energy E = 26 GeV, and a revolution time T/sub rev/ = 3.15 μs, the result is a maximum kinetic energy of W = 2.45 MJ. Such an energy, if suddenly lost and instantaneously dissipated in any part of the ISR, would cause a major breakdown. It was therefore necessary to build a fast and reliable system which could dump the beam whenever safety monitors indicated a hardware fault or a beam loss. The beam in each ISR is dumped by means of four fast pulsed magnets deflecting the particles vertically onto an absorber block situated in the same long straight section. In 1970, when the ISR was first put into operation, each of the four magnets in each ring was energized independently by its own 3 Ω pulse generator. By means of a special spark-gap developed for that purpose, and by switching together the four 3 Ω pulse-forming networks, it was possible to improve significantly the reliability of the system. The 0.75 OMEGA, 40 kA pulse generator now energizing the four fast pulsed magnets is described, with special attention given to the principles and technological solutions which were adopted in order to achieve the necessary reliability of the system for each type of operation, particularly during long colliding beam experiments. (auth)

  14. Abrupt hydroclimate disruption across the Australian arid zone 50 ka coincident with human colonization

    Science.gov (United States)

    Miller, G. H.; Fogel, M. L.; Magee, J. W.; Gagan, M. K.

    2016-12-01

    Although many studies focus on how climate change impacted ancient societies, in Australia a growing body of evidence indicates that activities of the earliest human colonizers in turn altered the Australian climate. We utilize the stable isotopes of carbon and oxygen preserved in near-continuous 100 ka time series of avian eggshell from five regions across the Australian arid zone to reconstruct ecosystem status (d13C) and effective moisture (d18O). Training sets of sub-modern samples provide the basis for the reconstructions. Together, d13C and d18O provide independent estimates of ecosystem status and climate over the past 100 ka from the same dated sample, reducing correlation uncertainties between proxies. Changes in eggshell d13C document a dramatic reduction of palatable summer-wet C4 grasses in all regions between 50 and 45 ka, that has persisted through to modern times. Continuous 100 ka records of effective moisture derived from eggshell d18O show moist conditions from 100 to 60 ka, with variable drying after 60 ka, but the strong shift toward greatest aridity is coincident with the onset of the last glacial maximum 30 ka ago, 15 ka after the observed ecosystem restructuring. Combining the d13C and d18O time-series shows that an abrupt and permanent restructuring of the moisture/ecosystem balance occurred between 50 and 45 ka. Additional studies show that most large monsoon-fed inland arid-zone lakes carried permanent water at least intermittently between 120 and 50 ka, but never experienced permanent deep-water status after 45 ka, despite a wide range of global climate states, including the early Holocene when most other monsoon systems were reinvigorated. The lack of exceptional climate shifts either locally or globally between 60 and 40 ka eliminates climate as the cause of the ecosystem restructuring and persistent lake desiccation. Collectively these data suggest the wave of human colonization across Australia in altered land surface characteristics

  15. Effect of methylation on the side-chain pKa value of arginine.

    Science.gov (United States)

    Evich, Marina; Stroeva, Ekaterina; Zheng, Yujun George; Germann, Markus W

    2016-02-01

    Arginine methylation is important in biological systems. Recent studies link the deregulation of protein arginine methyltransferases with certain cancers. To assess the impact of methylation on interaction with other biomolecules, the pKa values of methylated arginine variants were determined using NMR data. The pKa values of monomethylated, symmetrically dimethylated, and asymmetrically dimethylated arginine are similar to the unmodified arginine (14.2 ± 0.4). Although the pKa value has not been significantly affected by methylation, consequences of methylation include changes in charge distribution and steric effects, suggesting alternative mechanisms for recognition. © 2015 The Protein Society.

  16. Stability constants of scandium complexes, 1

    International Nuclear Information System (INIS)

    Itoh, Hisako; Itoh, Naomi; Suzuki, Yasuo

    1984-01-01

    The stability constants of scandium complexes with some carboxylate ligands were determined potentiometrically at 25.0 and 40.0 0 C and at an ionic strength of 0.10 with potassium nitrate as supporting electrolyte. The constants of the scandium complexes were appreciably greater than those of the corresponding lanthanoid complexes, as expected. The changes in free energy, enthalpy, and entropy for the formation of the scandium complexes were calculated from the stability constants at two temperatures. (author)

  17. Determination of diffuse double layer protonation constants for hydrous ferric oxide (HFO): supporting evidence for the Dzombak and Morel compilation

    CSIR Research Space (South Africa)

    Pretorius, PJ

    1998-01-01

    Full Text Available of the experimental system suggests that titration points below pH 4 should not be used for the determination of protonation constants because of potential HFO dissolution. Surface protonation constant, PZC and binding site estimates agree excellently with currently...

  18. A natural cosmological constant from chameleons

    Directory of Open Access Journals (Sweden)

    Horatiu Nastase

    2015-07-01

    Full Text Available We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero and the coincidence problem (why Λ is comparable to the matter density now.

  19. A natural cosmological constant from chameleons

    Energy Technology Data Exchange (ETDEWEB)

    Nastase, Horatiu, E-mail: nastase@ift.unesp.br [Instituto de Física Teórica, UNESP-Universidade Estadual Paulista, R. Dr. Bento T. Ferraz 271, Bl. II, Sao Paulo 01140-070, SP (Brazil); Weltman, Amanda, E-mail: amanda.weltman@uct.ac.za [Astrophysics, Cosmology & Gravity Center, Department of Mathematics and Applied Mathematics, University of Cape Town, Private Bag, Rondebosch 7700 (South Africa)

    2015-07-30

    We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

  20. A natural cosmological constant from chameleons

    International Nuclear Information System (INIS)

    Nastase, Horatiu; Weltman, Amanda

    2015-01-01

    We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

  1. Ionisation constants of radiopharmaceuticals by HPLC

    Energy Technology Data Exchange (ETDEWEB)

    Stylli, C.G.; Theobald, A.E.

    It has long been recognised that the pKsub(a) of drugs and radiopharmaceuticals is an important determinant of their biological distribution. In this study an HPLC method for pKa measurement has been developed for radiotracers. It has been validated with several amines and used to estimate the pKsub(a) values of some Tc-99m PnAO complexes by observing the change in chromatographic retention with change in mobile phase pH. The pKsub(a) values were estimated from the data by three methods: derivative analysis, quadratic regression, and the Henderson - Hasselbalch equation.

  2. Ionisation constants of radiopharmaceuticals by HPLC

    International Nuclear Information System (INIS)

    Stylli, C.G.; Theobald, A.E.

    1986-01-01

    It has long been recognised that the pKsub(a) of drugs and radiopharmaceuticals is an important determinant of their biological distribution. In this study an HPLC method for pKa measurement has been developed for radiotracers. It has been validated with several amines and used to estimate the pKsub(a) values of some Tc-99m PnAO complexes by observing the change in chromatographic retention with change in mobile phase pH. The pKsub(a) values were estimated from the data by three methods: derivative analysis, quadratic regression, and the Henderson - Hasselbalch equation. (author)

  3. Effect of repeat unit structure and molecular mass of lactic acid bacteria hetero-exopolysaccharides on binding to milk proteins

    DEFF Research Database (Denmark)

    Birch, Johnny; HarÐarson, HörÐur Kári; Khan, Sanaullah

    2017-01-01

    -exopolysaccharides (HePSs) of 0.14–4.9 MDa from lactic acid bacteria to different milk proteins (β-casein, κ-casein, native and heat-treated β-lactoglobulin) at pH 4.0–5.0. Maximum binding capacity (RUmax) and apparent affinity (KA,app) were HePS- and protein-dependent and varied for example 10- and 600-fold......, respectively, in the complexation with native β-lactoglobulin at pH 4.0. Highest RUmax and KA,app were obtained with heat-treated β-lactoglobulin and β-casein, respectively. Overall, RUmax and KA,app decreased 6- and 20-fold, respectively, with increasing pH from 4.0 to 5.0. KA,app was influenced by ionic...

  4. Quantification of Cooperativity in Heterodimer-DNA Binding Improves the Accuracy of Binding Specificity Models*

    Science.gov (United States)

    Isakova, Alina; Berset, Yves; Hatzimanikatis, Vassily; Deplancke, Bart

    2016-01-01

    Many transcription factors (TFs) have the ability to cooperate on DNA elements as heterodimers. Despite the significance of TF heterodimerization for gene regulation, a quantitative understanding of cooperativity between various TF dimer partners and its impact on heterodimer DNA binding specificity models is still lacking. Here, we used a novel integrative approach, combining microfluidics-steered measurements of dimer-DNA assembly with mechanistic modeling of the implicated protein-protein-DNA interactions to quantitatively interrogate the cooperative DNA binding behavior of the adipogenic peroxisome proliferator-activated receptor γ (PPARγ):retinoid X receptor α (RXRα) heterodimer. Using the high throughput MITOMI (mechanically induced trapping of molecular interactions) platform, we derived equilibrium DNA binding data for PPARγ, RXRα, as well as the PPARγ:RXRα heterodimer to more than 300 target DNA sites and variants thereof. We then quantified cooperativity underlying heterodimer-DNA binding and derived an integrative heterodimer DNA binding constant. Using this cooperativity-inclusive constant, we were able to build a heterodimer-DNA binding specificity model that has superior predictive power than the one based on a regular one-site equilibrium. Our data further revealed that individual nucleotide substitutions within the target site affect the extent of cooperativity in PPARγ:RXRα-DNA binding. Our study therefore emphasizes the importance of assessing cooperativity when generating DNA binding specificity models for heterodimers. PMID:26912662

  5. Quantification of Cooperativity in Heterodimer-DNA Binding Improves the Accuracy of Binding Specificity Models.

    Science.gov (United States)

    Isakova, Alina; Berset, Yves; Hatzimanikatis, Vassily; Deplancke, Bart

    2016-05-06

    Many transcription factors (TFs) have the ability to cooperate on DNA elements as heterodimers. Despite the significance of TF heterodimerization for gene regulation, a quantitative understanding of cooperativity between various TF dimer partners and its impact on heterodimer DNA binding specificity models is still lacking. Here, we used a novel integrative approach, combining microfluidics-steered measurements of dimer-DNA assembly with mechanistic modeling of the implicated protein-protein-DNA interactions to quantitatively interrogate the cooperative DNA binding behavior of the adipogenic peroxisome proliferator-activated receptor γ (PPARγ):retinoid X receptor α (RXRα) heterodimer. Using the high throughput MITOMI (mechanically induced trapping of molecular interactions) platform, we derived equilibrium DNA binding data for PPARγ, RXRα, as well as the PPARγ:RXRα heterodimer to more than 300 target DNA sites and variants thereof. We then quantified cooperativity underlying heterodimer-DNA binding and derived an integrative heterodimer DNA binding constant. Using this cooperativity-inclusive constant, we were able to build a heterodimer-DNA binding specificity model that has superior predictive power than the one based on a regular one-site equilibrium. Our data further revealed that individual nucleotide substitutions within the target site affect the extent of cooperativity in PPARγ:RXRα-DNA binding. Our study therefore emphasizes the importance of assessing cooperativity when generating DNA binding specificity models for heterodimers. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Titration ELISA as a Method to Determine the Dissociation Constant of Receptor Ligand Interaction.

    Science.gov (United States)

    Eble, Johannes A

    2018-02-15

    The dissociation constant describes the interaction between two partners in the binding equilibrium and is a measure of their affinity. It is a crucial parameter to compare different ligands, e.g., competitive inhibitors, protein isoforms and mutants, for their binding strength to a binding partner. Dissociation constants are determined by plotting concentrations of bound versus free ligand as binding curves. In contrast, titration curves, in which a signal that is proportional to the concentration of bound ligand is plotted against the total concentration of added ligand, are much easier to record. The signal can be detected spectroscopically and by enzyme-linked immunosorbent assay (ELISA). This is exemplified in a protocol for a titration ELISA that measures the binding of the snake venom-derived rhodocetin to its immobilized target domain of α2β1 integrin. Titration ELISAs are versatile and widely used. Any pair of interacting proteins can be used as immobilized receptor and soluble ligand, provided that both proteins are pure, and their concentrations are known. The difficulty so far has been to determine the dissociation constant from a titration curve. In this study, a mathematical function underlying titration curves is introduced. Without any error-prone graphical estimation of a saturation yield, this algorithm allows processing of the raw data (signal intensities at different concentrations of added ligand) directly by mathematical evaluation via non-linear regression. Thus, several titration curves can be recorded simultaneously and transformed into a set of characteristic parameters, among them the dissociation constant and the concentration of binding-active receptor, and they can be evaluated statistically. When combined with this algorithm, titration ELISAs gain the advantage of directly presenting the dissociation constant. Therefore, they may be used more efficiently in the future.

  7. Determination of the acidity constants of neutral red and bromocresol green by solution scanometric method and comparison with spectrophotometric results

    Directory of Open Access Journals (Sweden)

    Ardeshir Shokrollahi

    2016-03-01

    The method is based on scanning cells containing the indicator solution with a scanner, and analyzing the color of each cell with a software written in visual basic (VB 6 media to red, green and blue values. The cells were made by making holes in the Plexiglas® sheet. Also, the acidity constants of the neutral red and bromocresol green indicators were studied with spectrophotometrically. HypSpec program has been applied for the estimation of pKa values based on spectrophotometric data. The agreement between obtained pKa values by solution scanometric, spectrophotometric method and values reported in the literature demonstrates the utility of the method here used. Also the HySS 2009 program was applied for drawing of the corresponding distribution diagrams.

  8. Fluorescence spectroscopic studies on binding of a flavonoid ...

    Indian Academy of Sciences (India)

    Binding of quercetin to human serum albumin (HSA) was studied and the binding constant measured by following the red-shifted absorption spectrum of quercetin in the presence of HSA and the quenching of the intrinsic protein fluorescence in the presence of different concentrations of quercetin. Fluorescence lifetime ...

  9. Investigation of the binding mechanism and inhibition of bovine liver catalase by quercetin: Multi-spectroscopic and computational study.

    Science.gov (United States)

    Rashtbari, Samaneh; Dehghan, Gholamreza; Yekta, Reza; Jouyban, Abolghasem

    2017-01-01

    Introduction: The study on the side effects of various drugs and compounds on enzymes is a main issue for monitoring the conformational and functional changes of them. Quercetin (3,5,7,3',4'-pentahydroxyflavone, QUE), a polyphenolic flavonoid, widely found in fruits, vegetables and it is used as an ingredient in foods and beverages. The interaction of bovine liver catalase (BLC) with QUE has been studied in this research by using different spectroscopic methods. Methods: In this work, the interaction of QUE with BLC was investigated using different spectroscopic methods including ultraviolet-visible (UV-vis) absorption, circular dichroism (CD) and fluorescence spectroscopy and molecular docking studies. Results: Fluorescence data at different temperatures, synchronous fluorescence and CD studies revealed conformational changes in the BLC structure in the presence of different concentration of QUE. Also, the fluorescence quenching data showed that QUE can form a non-fluorescent complex with BLC and quench its intrinsic emission by a static process. The binding constant (Ka) for the interaction was 104, and the number of binding site was obtained ~1. The ∆H, ∆S and ∆G changes were obtained, indicating that hydrophobic interactions play a main role in the complex formation. In vitro kinetic studies revealed that QUE can inhibit BLC activity through non-competitive manner. Molecular docking study results were in good agreement with experimental data, confirming only one binding site on BLC for QUE at a cavity among the wrapping domain, threating arm and β-barrel. Conclusion: Inhibition of BLC activity upon interaction with QUE demonstrated that in addition to their beneficial effects, they should not be overlooked for their side effects.

  10. Ühinev Euroopa - kas ka ühinev kultuur? / Sirje Kiin

    Index Scriptorium Estoniae

    Kiin, Sirje, 1949-

    1997-01-01

    Euroopa tsivilisatsioon ja kultuurierinevus kui Euroopa identiteedi osa. EL programmid "Kaleidoskoop", "Ariane" ja "Raphael". Ilmunud ka kogumikus: Kiin, Sirje. Kõik sõltub kultuurist. Tallinn, 2003, lk. 17-19

  11. MMIC for High-Efficiency Ka-BAnd GaN Power Amplifiers (2007043), Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal addresses the need for high-efficiency, high-output power amplifiers operating in the Ka-band frequencies. For space communications, the power...

  12. Advances in Ka-Band Communication System for CubeSats and SmallSats

    Science.gov (United States)

    Kegege, Obadiah; Wong, Yen F.; Altunc, Serhat

    2016-01-01

    A study was performed that evaluated the feasibility of Ka-band communication system to provide CubeSat/SmallSat high rate science data downlink with ground antennas ranging from the small portable 1.2m/2.4m to apertures 5.4M, 7.3M, 11M, and 18M, for Low Earth Orbit (LEO) to Lunar CubeSat missions. This study included link analysis to determine the data rate requirement, based on the current TRL of Ka-band flight hardware and ground support infrastructure. Recent advances in Ka-band transceivers and antennas, options of portable ground stations, and various coverage distances were included in the analysis. The link/coverage analysis results show that Cubesat/Smallsat missions communication requirements including frequencies and data rates can be met by utilizing Near Earth Network (NEN) Ka-band support with 2 W and high gain (>6 dBi) antennas.

  13. NOAA Ship Ka'imimoana Underway Meteorological Data, Near Real Time

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — NOAA Ship Ka'imimoana Underway Meteorological Data (Near Real Time, updated daily) are from the Shipboard Automated Meteorological and Oceanographic System (SAMOS)...

  14. Novel Ka-band High Gain Antenna Design for Comm Systems for future Earth Observing Missions

    Data.gov (United States)

    National Aeronautics and Space Administration — A novel high gain antenna (HGA) for Ka-band RF communications is proposed in this IRAD. Such a concept is in the best interest for future Earth Observing (EO)...

  15. Solid State KA-Band, Solid State W-Band and TWT Amplifiers, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Phase I of the proposal describes plans to develop a state of the art transmitter for the W-Band and KA -Band Cloud Radar system. Our focus will be concentrated in...

  16. High Performance Ka-band Phase Shifters for Space Telecommunications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose a novel MEMS-based digital phase shifter targeted for Ka-band operation, but scalable down to X-band and up to W-band. This novel phase shifter will...

  17. Maailmas jätkub kinnisvarabuum ka sel aastal / Mari Kamps

    Index Scriptorium Estoniae

    Kamps, Mari

    2007-01-01

    Global Property Guide'i hinnangul jätkub ülemaailmne kinnisvarabuum ka 2007. aastal, ehkki veidi aeglasemas tempos. Võrreldes eelmise aasta algusega on majade hinnad tõusnud kõige enam Riias - 44,23 protsenti

  18. Design and Validation of High Date Rate Ka-Band Software Defined Radio for Small Satellite

    Science.gov (United States)

    Xia, Tian

    2016-01-01

    The Design and Validation of High Date Rate Ka- Band Software Defined Radio for Small Satellite project will develop a novel Ka-band software defined radio (SDR) that is capable of establishing high data rate inter-satellite links with a throughput of 500 megabits per second (Mb/s) and providing millimeter ranging precision. The system will be designed to operate with high performance and reliability that is robust against various interference effects and network anomalies. The Ka-band radio resulting from this work will improve upon state of the art Ka-band radios in terms of dimensional size, mass and power dissipation, which limit their use in small satellites.

  19. Venezia filmifestivali punane vaip ootab tänavu ka eestlasi / Tiit Tuumalu

    Index Scriptorium Estoniae

    Tuumalu, Tiit, 1971-

    2007-01-01

    Eesti mängufilm "Sügisball" (režissöör Veiko Õunpuu, produtsent Katrin Kissa) esilinastub 7. septembril Venezia 64. filmifestivali konkursiprogrammis Orizzonti. Ka teistest võistlevatest filmidest

  20. Kahtlustatavate ringi lisandus ka K-Projekt / Kadri Paas, Kadri Jakobson

    Index Scriptorium Estoniae

    Paas, Kadri, 1982-

    2010-01-01

    Tallinna transpordiameti liikluskorralduse osakonna juhataja Vello Lõugase kriminaalasja raames sai pistiseandmise kahtlustuse ka K-Projekt ja selle suuromanik Rein Annusver. Läbi otsiti Tallinna liikluskorraldaja Mati Songisepa kodu ja töökoht

  1. Potential for Paragliding Tourism Development in Niška Banja (South Serbia

    Directory of Open Access Journals (Sweden)

    Lazar Pavić

    2013-07-01

    Full Text Available People today pay attention more on their health and because of that sports tourism becomes more popular. Especially popular segment of sports tourism is adventure sports including paragliding which has a special place. Tourist product of Niška Banja, as one of more visited tourism destination in Serbia, is mostly based on its health function. In the first part of this paper it is presented touristic valorisation of Niška Banja using criteria recommended form World Tourism Organization. In the second part of this paper it is used marketing mix as a tool for creating potential tourism product Paragliding weekend in Niška Banja. The aim of this paper is to show how the tourism offers of Niška Banja can be diversified using a new integrated product and how the touristic value can be increased.

  2. High Performance Ka Band Power Amplifiers for Future EVA Radio Applications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — In this proposal, AlphaSense, Inc. and the University of Washington detail the development of a novel, high performance Ka band power amplifier for EVA radio...

  3. High-resolution Atmospheric CO2 during 7.4-9.0 ka, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set provides a new CO2 record from the Siple Dome ice core, Antarctica, that covers 7.4-9.0 ka (thousand years) with 8- to 16-year resolution. A small,...

  4. Ka-Band Electronically Steered CubeSat Antenna, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Kymeta Government Solutions (KGS) designed, analyzed, built, tested, and delivered a small, lightweight, low-cost, low-power electronically steered Ka-band prototype...

  5. Kakuke võib olla ka loomade sõber ja osa seletusmuistendist / Krista Valdvee

    Index Scriptorium Estoniae

    Valdvee, Krista

    2008-01-01

    Viljandi Nukuteater avas oma 54. hooaja lavastusega "Kakuke", lavastas, kujundas ja nukud valmistas Altmar Looris. Esietendus 13. dets. 1998. Ka Sojuzmultfilmi DVD kogumikus "Kirju kana" multifilmi versioonist "Muinasjutt kakukesest" ja August Kitzbergi loost "Pannkook" sarjas "Lapse oma raamatukogu"

  6. Elektrit võivad suuremad tarbijad ka ise toota / Monica Raud

    Index Scriptorium Estoniae

    Raud, Monica, 1981-

    2005-01-01

    Koostootmisjaamas ehk kombijõujaamas toodetakse samaaegselt nii elektrit kui ka sooja. Vt. samas: Võimalikel kasutajatel napib teadmisi. Lisad: Elektri, soojuse ja külma koostootmine; Koostootmisjaam on töökindel

  7. High-power X- and Ka-band Gallium Nitride Amplifiers with Exceptional Efficiency Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Achieving very high-power amplification with maximum efficiency at X- and Ka-band is challenging using solid-state technology. Gallium Arsenide (GaAs) has been the...

  8. Tänane heategevuskontsert toetab ka Kiigemetsa kooli / Vaike Käosaar

    Index Scriptorium Estoniae

    Käosaar, Vaike

    2007-01-01

    Heategevuskontserdist "Ma olen eriline" Põltsamaa lossihoovis, kus esinevad mitmed Eestimaa tuntud muusikud ja mille tulusid kasutatakse samasuguse pealkirjaga raamatu kirjastamise toetuseks, et aidata peresid, kus kasvab autistlikke lapsi ning Kiigemetsa Kooli, kus õpetatakse teiste seas ka autismipuudega lapsi

  9. Uusim tehnika annab säästu ka maasoojuspumpades / Lauri Lehtinen

    Index Scriptorium Estoniae

    Lehtinen, Lauri

    2009-01-01

    Õhksoojuspumpadega tuntust kogunud inverter- ehk sagedusmuunduriga kompressortehnikat kasutatakse ka uue põlvkonna maasoojuspumpades. Tootjate sõnul annab invertertehnika varasemate seadmetega võrreldes umbes 10–15% kokkuhoidu

  10. AHP 44: BILINGUAL EDUCATION IN AMDO - A CASE STUDY OF KHRI KA NATIONALITIES BOARDING SCHOOL

    Directory of Open Access Journals (Sweden)

    Tshe dpal rdo rje ཚེ་དཔལ་རྡོ་རྗེ། (Caihuan Duojie 才还多杰

    2017-02-01

    Full Text Available The state sponsored education of Tibetan children in Khri ka (Guide County, Mtsho lho (Hainan Tibetan Autonomous Prefecture, Mtsho sngon (Qinghai Province, China, using Khri ka Nationalities Boarding School as a case study, is described. School history, the government rationale for closing village-based Tibetan primary schools, and the nationalities boarding schools operating in Khri ka in 2015 are introduced. Detailed descriptions of teachers; students; instructional materials; classes; language use; rules; punishments; home visiting; communication between students, parents, and teachers; school reports to the local authorities; and official local supervision and evaluation of Khri ka Nationalities Boarding School are also provided. An overall evaluation of this school concludes the paper.

  11. GaN MMIC Ka-Band Power Amplifier, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA is seeking innovative Advanced RF Platform technologies at the physical level, specifically Ka-Band high efficiency high linearity microwave 10 to 20 Watt solid...

  12. Fundamental Physical Constants: Looking from Different Angles

    OpenAIRE

    Karshenboim, Savely G.

    2005-01-01

    We consider fundamental physical constants which are among a few of the most important pieces of information we have learned about Nature after its intensive centuries-long studies. We discuss their multifunctional role in modern physics including problems related to the art of measurement, natural and practical units, origin of the constants, their possible calculability and variability etc.

  13. Constant Width Planar Computation Characterizes ACC0

    DEFF Research Database (Denmark)

    Hansen, K.A.

    2004-01-01

    We obtain a characterization of ACC 0 in terms of a natural class of constant width circuits, namely in terms of constant width polynomial size planar circuits. This is shown via a characterization of the class of acyclic digraphs which can be embedded on a cylinder surface in such a way that all...

  14. Constant Width Planar Computation Characterizes ACC0

    DEFF Research Database (Denmark)

    Hansen, Kristoffer Arnsfelt

    2006-01-01

    We obtain a characterization of ACC0 in terms of a natural class of constant width circuits, namely in terms of constant width polynomial size planar circuits. This is shown via a characterization of the class of acyclic digraphs which can be embedded on a cylinder surface in such a way that all...

  15. On special relativity with cosmological constant

    International Nuclear Information System (INIS)

    Guo Hanying; Huang Chaoguang; Xu Zhan; Zhou Bin

    2004-01-01

    Based on the principle of relativity and the postulate of invariant speed and length, we propose the theory of special relativity with cosmological constant SRc,R, in which the cosmological constant is linked with the invariant length. Its relation with the doubly special relativity is briefly mentioned

  16. The case for the cosmological constant

    Indian Academy of Sciences (India)

    I present a short overview of current observational results and theoretical models for a cosmological constant. The main motivation for invoking a small cosmological constant (or -term) at the present epoch has to do with observations of high redshift Type Ia supernovae which suggest an accelerating universe.

  17. Some zero-sum constants with weights

    Indian Academy of Sciences (India)

    to zero-sum problems, Discrete Math. 306 (2006) 1–10. [2] Adhikari S D and Chen Y G, Davenport constant with weights and some related ques- tions – II, J. Combin. Theory A115 (2008) 178–184. [3] Adhikari Sukumar Das and Rath Purusottam, Davenport constant with weights and some related questions, Integers 6 ...

  18. The time constant of the somatogravic illusion.

    Science.gov (United States)

    Correia Grácio, B J; de Winkel, K N; Groen, E L; Wentink, M; Bos, J E

    2013-02-01

    Without visual feedback, humans perceive tilt when experiencing a sustained linear acceleration. This tilt illusion is commonly referred to as the somatogravic illusion. Although the physiological basis of the illusion seems to be well understood, the dynamic behavior is still subject to discussion. In this study, the dynamic behavior of the illusion was measured experimentally for three motion profiles with different frequency content. Subjects were exposed to pure centripetal accelerations in the lateral direction and were asked to indicate their tilt percept by means of a joystick. Variable-radius centrifugation during constant angular rotation was used to generate these motion profiles. Two self-motion perception models were fitted to the experimental data and were used to obtain the time constant of the somatogravic illusion. Results showed that the time constant of the somatogravic illusion was on the order of two seconds, in contrast to the higher time constant found in fixed-radius centrifugation studies. Furthermore, the time constant was significantly affected by the frequency content of the motion profiles. Motion profiles with higher frequency content revealed shorter time constants which cannot be explained by self-motion perception models that assume a fixed time constant. Therefore, these models need to be improved with a mechanism that deals with this variable time constant. Apart from the fundamental importance, these results also have practical consequences for the simulation of sustained accelerations in motion simulators.

  19. The case for the cosmological constant

    Indian Academy of Sciences (India)

    Abstract. I present a short overview of current observational results and theoretical models for a cosmological constant. The main motivation for invoking a small cosmological constant (orA-term) at the present epoch has to do with observations of high redshift Type Ia supernovae which suggest an accelerating universe.

  20. Equilibrium-constant expressions for aqueous plutonium

    International Nuclear Information System (INIS)

    Silver, G.L.

    2010-01-01

    Equilibrium-constant expressions for Pu disproportionation reactions traditionally contain three or four terms representing the concentrations or fractions of the oxidation states. The expressions can be rewritten so that one of the oxidation states is replaced by a term containing the oxidation number of the plutonium. Experimental estimations of the numerical values of the constants can then be checked in several ways. (author)

  1. DETERMINATION OF STABILITY CONSTANTS OF MANGANESE (II ...

    African Journals Online (AJOL)

    DR. AMINU

    Keywords: Amino acids, dissociation constant, potentiometry, stability constant. INTRODUCTION. Acids – base titration involves the gradual addition or removal of protons for example using the deprotic form of glycine. The plot has two distinct stages corresponding to the deprotonation of the two different groups on glycine.

  2. RPS6KA2, a putative tumour suppressor gene at 6q27 in sporadic epithelial ovarian cancer

    DEFF Research Database (Denmark)

    Bignone, P A; Lee, K Y; Liu, Y

    2007-01-01

    -activated protein kinase pathway. It is expressed in normal ovarian epithelium, whereas reduced or absent in tumours or cell lines. We show that RPS6KA2 is monoallelically expressed in the ovary suggesting that loss of a single expressed allele is sufficient to cause complete loss of expression in cancer cells....... Further, we have identified two new isoforms of RPS6KA2 with an alternative start codon. Homozygous deletions were identified within the RPS6KA2 gene in two cell lines. Re-expression of RPS6KA2 in ovarian cancer cell lines suppressed colony formation. In UCI101 cells, the expression of RPS6KA2 reduced...

  3. Global calibration/validation of 2 years of SARAL/AltiKa data

    Science.gov (United States)

    Scharroo, Remko; Lillibridge, John; Leuliette, Eric; Bonekamp, Hans

    2015-04-01

    The AltiKa altimeter flying onboard the French/Indian SARAL satellite provides the first opportunity to examine Ka-band measurements of sea surface height, significant wave height and ocean surface wind speed. In this presentation we provide the results from our global calibration/validation analysis of the AltiKa measurements, with an emphasis on near real-time applications of interest to both EUMETSAT and NOAA. Traditional along-track SSHA, and single as well as dual-satellite crossover assessments of the AltiKa performance are be provided. Unique aspects of the AltiKa mission such as improved along-track resolution, reduced ionospheric path delay corrections, mission-specific wind speed and sea state bias corrections, and sensitivity to liquid moisture and rain are also explored. In February 2014, a major update to the ground processing was introduced. "Patch-2" improved the way wind speed was derived from altimeter backscatter, as suggested by Lillibridge et al. (1). The backscatter attenuation is now derived from the radiometer measurements via neural network algorithms, which also determine the wet tropospheric correction. We emphasize these improvements in our analysis. After 2 years in flight, SARAL/AltiKa is already providing a significant contribution to the constellation of operational radar altimetry missions, demonstrating the large benefits of high-rate Ka-band altimetry. (1) Lillibridge, John, Remko Scharroo, Saleh Abdalla, Doug Vandemark, 2014: One- and Two-Dimensional Wind Speed Models for Ka-Band Altimetry. J. Atmos. Oceanic Technol., 31, 630-638. doi: http://dx.doi.org/10.1175/JTECH-D-13-00167.1

  4. Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in Proteins.

    Science.gov (United States)

    Awoonor-Williams, Ernest; Rowley, Christopher N

    2016-09-13

    Methods for the calculation of the pKa ionizable amino acids are valuable tools for understanding pH-dependent properties of proteins. Cysteine is unique among the amino acids because of the chemical reactivity of its thiol group (S-H), which plays an instrumental role in several biochemical and regulatory functions. The acidity of noncatalytic cysteine residues is a factor in their susceptibility to chemical modification. Despite the plethora of existing pKa computing methods, no definitive protocol exists for accurately calculating the pKa's of cysteine residues in proteins. A cysteine pKa test set was developed, which is comprised of 18 cysteine residues in 12 proteins where the pKa's have been determined experimentally and an experimental structure is available. The pKa's of these residues were calculated using three methods that use an implicit solvent model (H++, MCCE, and PROPKA) and an all-atom replica-exchange thermodynamic integration approach with the CHARMM36 and AMBER ff99SB-ILDNP force fields. The models that use implicit solvation methods were generally unreliable in predicting cysteine residue pKa's, with RMSDs between 3.41 and 4.72 pKa units. On average, the explicit solvent methods performed better than the implicit solvent methods. RMSD values of 2.40 and 3.20 were obtained for simulations with the CHARMM36 and AMBER ff99SB-ILDNP force fields, respectively. Further development of these methods is necessary because the performance of the best method is similar to that of the null-model (RMSD = 2.74) and these differences in RMSD are of limited statistical significance given the small size of our test set.

  5. Graviton fluctuations erase the cosmological constant

    Science.gov (United States)

    Wetterich, C.

    2017-10-01

    Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological ;constant; in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

  6. Tadpole diagrams in constant electromagnetic fields

    Science.gov (United States)

    Karbstein, Felix

    2017-10-01

    We show how all possible one-particle reducible tadpole diagrams in constant electromagnetic fields can be constructed from one-particle irreducible constant-field diagrams. The construction procedure is essentially algebraic and involves differentiations of the latter class of diagrams with respect to the field strength tensor and contractions with derivatives of the one-particle irreducible part of the Heisenberg-Euler effective Lagrangian in constant fields. Specific examples include the two-loop addendum to the Heisenberg-Euler effective action as well as a novel one-loop correction to the charged particle propagator in constant electromagnetic fields discovered recently. As an additional example, the approach devised in the present article is adopted to derive the tadpole contribution to the two-loop photon polarization tensor in constant fields for the first time.

  7. Solar constant values for estimating solar radiation

    International Nuclear Information System (INIS)

    Li, Huashan; Lian, Yongwang; Wang, Xianlong; Ma, Weibin; Zhao, Liang

    2011-01-01

    There are many solar constant values given and adopted by researchers, leading to confusion in estimating solar radiation. In this study, some solar constant values collected from literature for estimating solar radiation with the Angstroem-Prescott correlation are tested in China using the measured data between 1971 and 2000. According to the ranking method based on the t-statistic, a strategy to select the best solar constant value for estimating the monthly average daily global solar radiation with the Angstroem-Prescott correlation is proposed. -- Research highlights: → The effect of the solar constant on estimating solar radiation is investigated. → The investigation covers a diverse range of climate and geography in China. → A strategy to select the best solar constant for estimating radiation is proposed.

  8. A Ka-Band Celestial Reference Frame with Applications to Deep Space Navigation

    Science.gov (United States)

    Jacobs, Christopher S.; Clark, J. Eric; Garcia-Miro, Cristina; Horiuchi, Shinji; Sotuela, Ioana

    2011-01-01

    The Ka-band radio spectrum is now being used for a wide variety of applications. This paper highlights the use of Ka-band as a frequency for precise deep space navigation based on a set of reference beacons provided by extragalactic quasars which emit broadband noise at Ka-band. This quasar-based celestial reference frame is constructed using X/Ka-band (8.4/32 GHz) from fifty-five 24-hour sessions with the Deep Space Network antennas in California, Australia, and Spain. We report on observations which have detected 464 sources covering the full 24 hours of Right Ascension and declinations down to -45 deg. Comparison of this X/Ka-band frame to the international standard S/X-band (2.3/8.4 GHz) ICRF2 shows wRMS agreement of approximately 200 micro-arcsec in alpha cos(delta) and approximately 300 micro-arcsec in delta. There is evidence for systematic errors at the 100 micro-arcsec level. Known errors include limited SNR, lack of instrumental phase calibration, tropospheric refraction mis-modeling, and limited southern geometry. The motivation for extending the celestial reference frame to frequencies above 8 GHz is to access more compact source morphology for improved frame stability and to support spacecraft navigation for Ka-band based NASA missions.

  9. Improving Cry8Ka toxin activity towards the cotton boll weevil (Anthonomus grandis

    Directory of Open Access Journals (Sweden)

    Gomes José E

    2011-09-01

    Full Text Available Abstract Background The cotton boll weevil (Anthonomus grandis is a serious insect-pest in the Americas, particularly in Brazil. The use of chemical or biological insect control is not effective against the cotton boll weevil because of its endophytic life style. Therefore, the use of biotechnological tools to produce insect-resistant transgenic plants represents an important strategy to reduce the damage to cotton plants caused by the boll weevil. The present study focuses on the identification of novel molecules that show improved toxicity against the cotton boll weevil. In vitro directed molecular evolution through DNA shuffling and phage display screening was applied to enhance the insecticidal activity of variants of the Cry8Ka1 protein of Bacillus thuringiensis. Results Bioassays carried out with A. grandis larvae revealed that the LC50 of the screened mutant Cry8Ka5 toxin was 3.15-fold higher than the wild-type Cry8Ka1 toxin. Homology modelling of Cry8Ka1 and the Cry8Ka5 mutant suggested that both proteins retained the typical three-domain Cry family structure. The mutated residues were located mostly in loops and appeared unlikely to interfere with molecular stability. Conclusions The improved toxicity of the Cry8Ka5 mutant obtained in this study will allow the generation of a transgenic cotton event with improved potential to control A. grandis.

  10. Pre-Flight Testing and Performance of a Ka-Band Software Defined Radio

    Science.gov (United States)

    Downey, Joseph A.; Reinhart, Richard C.; Kacpura, Thomas

    2012-01-01

    National Aeronautics and Space Administration (NASA) has developed a space-qualified, reprogrammable, Ka-band Software Defined Radio (SDR) to be utilized as part of an on-orbit, reconfigurable testbed. The testbed will operate on the truss of the International Space Station beginning in late 2012. Three unique SDRs comprise the testbed, and each radio is compliant to the Space Telecommunications Radio System (STRS) Architecture Standard. The testbed provides NASA, industry, other Government agencies, and academic partners the opportunity to develop communications, navigation, and networking applications in the laboratory and space environment, while at the same time advancing SDR technology, reducing risk, and enabling future mission capability. Designed and built by Harris Corporation, the Ka-band SDR is NASA's first space-qualified Ka-band SDR transceiver. The Harris SDR will also mark the first NASA user of the Ka-band capabilities of the Tracking Data and Relay Satellite System (TDRSS) for on-orbit operations. This paper describes the testbed's Ka-band System, including the SDR, travelling wave tube amplifier (TWTA), and antenna system. The reconfigurable aspects of the system enabled by SDR technology are discussed and the Ka-band system performance is presented as measured during extensive pre-flight testing.

  11. Analysis of multi-site drug-protein interactions by high-performance affinity chromatography: Binding by glimepiride to normal or glycated human serum albumin.

    Science.gov (United States)

    Matsuda, Ryan; Li, Zhao; Zheng, Xiwei; Hage, David S

    2015-08-21

    High-performance affinity chromatography (HPAC) was used in a variety of formats to examine multi-site interactions between glimepiride, a third-generation sulfonylurea drug, and normal or in vitro glycated forms of the transport protein human serum albumin (HSA). Frontal analysis revealed that glimepiride interacts with normal HSA and glycated HSA at a group of high affinity sites (association equilibrium constant, or Ka, 9.2-11.8×10(5)M(-1) at pH 7.4 and 37°C) and a group of lower affinity regions (Ka, 5.9-16×10(3)M(-1)). Zonal elution competition studies were designed and carried out in both normal- and reversed-role formats to investigate the binding by this drug at specific sites. These experiments indicated that glimepiride was interacting at both Sudlow sites I and II. Allosteric effects were also noted with R-warfarin at Sudlow site I and with tamoxifen at the tamoxifen site on HSA. The binding at Sudlow site I had a 2.1- to 2.3-fold increase in affinity in going from normal HSA to the glycated samples of HSA. There was no significant change in the affinity for glimepiride at Sudlow site II in going from normal HSA to a moderately glycated sample of HSA, but a slight decrease in affinity was seen in going to a more highly glycated HSA sample. These results demonstrated how various HPAC-based methods can be used to profile and characterize multi-site binding by a drug such as glimepiride to a protein and its modified forms. The information obtained from this study should be useful in providing a better understanding of how drug-protein binding may be affected by glycation and of how separation and analysis methods based on HPAC can be employed to study systems with complex interactions or that involve modified proteins. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Tissue specificity of endothelin binding sites

    Energy Technology Data Exchange (ETDEWEB)

    Bolger, G.T.; Liard, F.; Krogsrud, R.; Thibeault, D.; Jaramillo, J. (BioMega, Inc., Laval, Quebec (Canada))

    1990-09-01

    A measurement was made of the binding of 125I-labeled endothelin (125I-ET) to crude membrane fractions prepared from rat aorta, atrium, ventricle, portal vein, trachea, lung parenchyma, vas deferens, ileum, bladder, and guinea-pig taenia coli and lung parenchyma. Scatchard analysis of 125I-ET binding in all tissues indicated binding to a single class of saturable sites. The affinity and density of 125I-ET binding sites varied between tissues. The Kd of 125I-ET binding was approximately 0.5 nM for rat aorta, trachea, lung parenchyma, ventricle, bladder, and vas deferens, and guinea-pig taenia coli and lung parenchyma, 1.8 nM for rat portal vein and atrium, and 3.3 nM for ileum. The Bmax of 125I-ET binding had the following rank order of density in rat tissues: trachea greater than lung parenchyma = vas deferens much greater than aorta = portal vein = atrium greater than bladder greater than ventricle = ileum. The properties of 125I-ET endothelin binding were characterized in rat ventricular membranes. 125I-ET binding was time dependent, reaching a maximum within 45-60 min at 25 degrees C. The calculated microassociation constant was 9.67 x 10(5) s-1 M-1. Only 15-20% of 125I-ET dissociated from its binding site even when dissociation was studied as long as 3 h. Preincubation of ventricular membranes with ET prevented binding of 125I-ET. 125I-ET binding was destroyed by boiling of ventricular membranes and was temperature, pH, and cation (Ca2+, Mg2+, and Na+) dependent.

  13. Scalar-tensor cosmology with cosmological constant

    International Nuclear Information System (INIS)

    Maslanka, K.

    1983-01-01

    The equations of scalar-tensor theory of gravitation with cosmological constant in the case of homogeneous and isotropic cosmological model can be reduced to dynamical system of three differential equations with unknown functions H=R/R, THETA=phi/phi, S=e/phi. When new variables are introduced the system becomes more symmetrical and cosmological solutions R(t), phi(t), e(t) are found. It is shown that when cosmological constant is introduced large class of solutions which depend also on Dicke-Brans parameter can be obtained. Investigations of these solutions give general limits for cosmological constant and mean density of matter in plane model. (author)

  14. Constant strength fuel-fuel cell

    International Nuclear Information System (INIS)

    Vaseen, V.A.

    1980-01-01

    A fuel cell is an electrochemical apparatus composed of both a nonconsumable anode and cathode; and electrolyte, fuel oxidant and controls. This invention guarantees the constant transfer of hydrogen atoms and their respective electrons, thus a constant flow of power by submergence of the negative electrode in a constant strength hydrogen furnishing fuel; when said fuel is an aqueous absorbed hydrocarbon, such as and similar to ethanol or methnol. The objective is accomplished by recirculation of the liquid fuel, as depleted in the cell through specific type membranes which pass water molecules and reject the fuel molecules; thus concentrating them for recycle use

  15. On the constants for some Sobolev imbeddings

    Directory of Open Access Journals (Sweden)

    Pizzocchero Livio

    2001-01-01

    Full Text Available We consider the imbedding inequality is the Sobolev space (or Bessel potential space of type and (integer or fractional order . We write down upper bounds for the constants , using an argument previously applied in the literature in particular cases. We prove that the upper bounds computed in this way are in fact the sharp constants if , , and exhibit the maximising functions. Furthermore, using convenient trial functions, we derive lower bounds on for in many cases these are close to the previous upper bounds, as illustrated by a number of examples, thus characterizing the sharp constants with little uncertainty.

  16. On the constant-roll inflation

    Science.gov (United States)

    Yi, Zhu; Gong, Yungui

    2018-03-01

    The primordial power spectra of scalar and tensor perturbations during slow-roll inflation are usually calculated with the method of Bessel function approximation. For constant-roll or ultra slow-roll inflation, the method of Bessel function approximation may be invalid. We compare the numerical results with the analytical results derived from the Bessel function approximation, and we find that they differ significantly on super-horizon scales if the constant slow-roll parameter ηH is not small. More accurate method is needed for calculating the primordial power spectrum for constant-roll inflation.

  17. Cosmological constant and advanced gravitational wave detectors

    International Nuclear Information System (INIS)

    Wang, Y.; Turner, E.L.

    1997-01-01

    Interferometric gravitational wave detectors could measure the frequency sweep of a binary inspiral (characterized by its chirp mass) to high accuracy. The observed chirp mass is the intrinsic chirp mass of the binary source multiplied by (1+z), where z is the redshift of the source. Assuming a nonzero cosmological constant, we compute the expected redshift distribution of observed events for an advanced LIGO detector. We find that the redshift distribution has a robust and sizable dependence on the cosmological constant; the data from advanced LIGO detectors could provide an independent measurement of the cosmological constant. copyright 1997 The American Physical Society

  18. Phosphorylation of nitrogen regulator I of Escherichia coli induces strong cooperative binding to DNA essential for activation of transcription.

    OpenAIRE

    Weiss, V; Claverie-Martin, F; Magasanik, B

    1992-01-01

    We studied the effect of phosphorylation of nitrogen regulator I (NRI) on its binding properties. Both phosphorylated and unphosphorylated NRI bind linearly to a single binding site but cooperatively to two adjacent binding sites. Cooperative binding of NRI is severely affected by phosphorylation: half-maximal binding of NRI-phosphate is at 20-fold lower concentrations than that of unphosphorylated NRI. This is more due to a huge increase in the cooperativity constant--which is the strength o...

  19. Interacting universes and the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Serrano, A. [Centro de Física “Miguel Catalán”, Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 121, 28006 Madrid (Spain); Estación Ecológica de Biocosmología, Pedro de Alvarado 14, 06411 Medellín (Spain); Bastos, C. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Avenida Rovisco Pais 1, 1049-001 Lisboa (Portugal); Bertolami, O. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Avenida Rovisco Pais 1, 1049-001 Lisboa (Portugal); Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Robles-Pérez, S., E-mail: salvarp@imaff.cfmac.csic.es [Centro de Física “Miguel Catalán”, Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 121, 28006 Madrid (Spain); Estación Ecológica de Biocosmología, Pedro de Alvarado 14, 06411 Medellín (Spain); Física Teórica, Universidad del País Vasco, Apartado 644, 48080 Bilbao (Spain)

    2013-02-12

    In this Letter it is studied the effects that an interaction scheme among universes can have in the values of their cosmological constants. In the case of two interacting universes, the value of the cosmological constant of one of the universes becomes very close to zero at the expense of an increasing value of the cosmological constant of the partner universe. In the more general case of a chain of N interacting universes with periodic boundary conditions, the spectrum of the Hamiltonian splits into a large number of levels, each of them associated with a particular value of the cosmological constant, that can be occupied by single universes revealing a collective behavior that plainly shows that the multiverse is much more than the mere sum of its parts.

  20. An improved dosimeter having constant flow pump

    International Nuclear Information System (INIS)

    Baker, W.B.

    1980-01-01

    A dosemeter designed for individual use which can be used to monitor toxic radon gas and toxic related products of radon gas in mines and which incorporates a constant air stream flowing through the dosimeter is described. (U.K.)

  1. Constant conditional entropy and related hypotheses

    International Nuclear Information System (INIS)

    Ferrer-i-Cancho, Ramon; Dębowski, Łukasz; Moscoso del Prado Martín, Fermín

    2013-01-01

    Constant entropy rate (conditional entropies must remain constant as the sequence length increases) and uniform information density (conditional probabilities must remain constant as the sequence length increases) are two information theoretic principles that are argued to underlie a wide range of linguistic phenomena. Here we revise the predictions of these principles in the light of Hilberg’s law on the scaling of conditional entropy in language and related laws. We show that constant entropy rate (CER) and two interpretations for uniform information density (UID), full UID and strong UID, are inconsistent with these laws. Strong UID implies CER but the reverse is not true. Full UID, a particular case of UID, leads to costly uncorrelated sequences that are totally unrealistic. We conclude that CER and its particular cases are incomplete hypotheses about the scaling of conditional entropies. (letter)

  2. Interacting universes and the cosmological constant

    International Nuclear Information System (INIS)

    Alonso-Serrano, A.; Bastos, C.; Bertolami, O.; Robles-Pérez, S.

    2013-01-01

    In this Letter it is studied the effects that an interaction scheme among universes can have in the values of their cosmological constants. In the case of two interacting universes, the value of the cosmological constant of one of the universes becomes very close to zero at the expense of an increasing value of the cosmological constant of the partner universe. In the more general case of a chain of N interacting universes with periodic boundary conditions, the spectrum of the Hamiltonian splits into a large number of levels, each of them associated with a particular value of the cosmological constant, that can be occupied by single universes revealing a collective behavior that plainly shows that the multiverse is much more than the mere sum of its parts

  3. Hydrolysis and formation constants at 250C

    International Nuclear Information System (INIS)

    Phillips, S.L.

    1982-05-01

    A database consisting of hydrolysis and formation constants for about 20 metals associated with the disposal of nuclear waste is given. Complexing ligands for the various ionic species of these metals include OH, F, Cl, SO 4 , PO 4 and CO 3 . Table 1 consists of tabulated calculated and experimental values of log K/sub xy/, mainly at 25 0 C and various ionic strengths together with references to the origin of the data. Table 2 consists of a column of recommended stability constants at 25 0 C and zero ionic strength tabulated in the column headed log K/sub xy/(0); other columns contain coefficients for an extended Debye-Huckel equation to permit calculations of stability constants up to 3 ionic strength, and up to 0.7 ionic strength using the Davies equation. Selected stability constants calculated with these coefficients for various ionic strengths agree to an average of +- 2% when compared with published experimental and calculated values

  4. Intrinsic thermodynamics of inhibitor binding to human carbonic anhydrase IX.

    Science.gov (United States)

    Linkuvienė, Vaida; Matulienė, Jurgita; Juozapaitienė, Vaida; Michailovienė, Vilma; Jachno, Jelena; Matulis, Daumantas

    2016-04-01

    Human carbonic anhydrase 9th isoform (CA IX) is an important marker of numerous cancers and is increasingly interesting as a potential anticancer drug target. Various synthetic aromatic sulfonamide-bearing compounds are being designed as potent inhibitors of CA IX. However, sulfonamide compound binding to CA IX is linked to several reactions, the deprotonation of the sulfonamide amino group and the protonation of the CA active site Zn(II)-bound hydroxide. These linked reactions significantly affect the affinities and other thermodynamic parameters such as enthalpies and entropies of binding. The observed and intrinsic affinities of compound binding to CA IX were determined by the fluorescent thermal shift assay. The enthalpies and entropies of binding were determined by the isothermal titration calorimetry. The pKa of CA IX was determined to be 6.8 and the enthalpy of CA IX-Zn(II)-bound hydroxide protonation was -24 kJ/mol. These values enabled the analysis of intrinsic thermodynamics of a library of compounds binding to CA IX. The most strongly binding compounds exhibited the intrinsic affinity of 0.01 nM and the observed affinity of 2 nM. The intrinsic thermodynamic parameters of compound binding to CA IX helped to draw the compound structure to thermodynamics relationship. It is important to distinguish the intrinsic from observed parameters of any disease target protein interaction with its inhibitors as drug candidates when drawing detailed compound structure to thermodynamics correlations. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Molecular Paleoclimate Reconstructions over the Last 9 ka from a Peat Sequence in South China.

    Directory of Open Access Journals (Sweden)

    Xinxin Wang

    Full Text Available To achieve a better understanding of Holocene climate change in the monsoon regions of China, we investigated the molecular distributions and carbon and hydrogen isotope compositions (δ13C and δD values of long-chain n-alkanes in a peat core from the Shiwangutian (SWGT peatland, south China over the last 9 ka. By comparisons with other climate records, we found that the δ13C values of the long-chain n-alkanes can be a proxy for humidity, while the δD values of the long-chain n-alkanes primarily recorded the moisture source δD signal during 9-1.8 ka BP and responded to the dry climate during 1.8-0.3 ka BP. Together with the average chain length (ACL and the carbon preference index (CPI data, the climate evolution over last 9 ka in the SWGT peatland can be divided into three stages. During the first stage (9-5 ka BP, the δ13C values were depleted and CPI and Paq values were low, while ACL values were high. They reveal a period of warm and wet climate, which is regarded as the Holocene optimum. The second stage (5-1.8 ka BP witnessed a shift to relatively cool and dry climate, as indicated by the more positive δ13C values and lower ACL values. During the third stage (1.8-0.3 ka BP, the δ13C, δD, CPI and Paq values showed marked increase and ACL values varied greatly, implying an abrupt change to cold and dry conditions. This climate pattern corresponds to the broad decline in Asian monsoon intensity through the latter part of the Holocene. Our results do not support a later Holocene optimum in south China as suggested by previous studies.

  6. Molecular Paleoclimate Reconstructions over the Last 9 ka from a Peat Sequence in South China

    Science.gov (United States)

    Wang, Xinxin; Huang, Xianyu; Sachse, Dirk; Ding, Weihua; Xue, Jiantao

    2016-01-01

    To achieve a better understanding of Holocene climate change in the monsoon regions of China, we investigated the molecular distributions and carbon and hydrogen isotope compositions (δ13C and δD values) of long-chain n-alkanes in a peat core from the Shiwangutian (SWGT) peatland, south China over the last 9 ka. By comparisons with other climate records, we found that the δ13C values of the long-chain n-alkanes can be a proxy for humidity, while the δD values of the long-chain n-alkanes primarily recorded the moisture source δD signal during 9–1.8 ka BP and responded to the dry climate during 1.8–0.3 ka BP. Together with the average chain length (ACL) and the carbon preference index (CPI) data, the climate evolution over last 9 ka in the SWGT peatland can be divided into three stages. During the first stage (9–5 ka BP), the δ13C values were depleted and CPI and Paq values were low, while ACL values were high. They reveal a period of warm and wet climate, which is regarded as the Holocene optimum. The second stage (5–1.8 ka BP) witnessed a shift to relatively cool and dry climate, as indicated by the more positive δ13C values and lower ACL values. During the third stage (1.8–0.3 ka BP), the δ13C, δD, CPI and Paq values showed marked increase and ACL values varied greatly, implying an abrupt change to cold and dry conditions. This climate pattern corresponds to the broad decline in Asian monsoon intensity through the latter part of the Holocene. Our results do not support a later Holocene optimum in south China as suggested by previous studies. PMID:27505008

  7. A quadri-constant fraction discriminator

    International Nuclear Information System (INIS)

    Wang Wei; Gu Zhongdao

    1992-01-01

    A quad Constant Fraction (Amplitude and Rise Time Compensation) Discriminator Circuit is described, which is based on the ECL high-speed dual comparator AD 9687. The CFD (ARCD) is of the constant fraction timing type (the amplitude and rise time compensation timing type) employing a leading edge discriminator to eliminate error triggers caused by noises. A timing walk measurement indicates a timing walk of less than +- 150 ps from -50 mV to -5 V

  8. Building evolutionary architectures support constant change

    CERN Document Server

    Ford, Neal; Kua, Patrick

    2017-01-01

    The software development ecosystem is constantly changing, providing a constant stream of new tools, frameworks, techniques, and paradigms. Over the past few years, incremental developments in core engineering practices for software development have created the foundations for rethinking how architecture changes over time, along with ways to protect important architectural characteristics as it evolves. This practical guide ties those parts together with a new way to think about architecture and time.

  9. Nuclei quadrupole coupling constants in diatomic molecule

    International Nuclear Information System (INIS)

    Ivanov, A.I.; Rebane, T.K.

    1993-01-01

    An approximate relationship between the constants of quadrupole interaction of nuclei in a two-atom molecule is found. It enabled to establish proportionality of oscillatory-rotation corrections to these constants for both nuclei in the molecule. Similar results were obtained for the factors of electrical dipole-quadrupole screening of nuclei. Applicability of these relationships is proven by the example of lithium deuteride molecule. 4 refs., 1 tab

  10. Optical constants of concentrated aqueous ammonium sulfate.

    Science.gov (United States)

    Remsberg, E. E.

    1973-01-01

    Using experimental data obtained from applying spectroscopy to a 39-wt-% aqueous ammonium sulfate solution, it is shown that, even though specific aerosol optical constants appear quite accurate, spectral variations may exist as functions of material composition or concentration or both. Prudent users of optical constant data must then include liberal data error estimates when performing calculations or in interpreting spectroscopic surveys of collected aerosol material.

  11. DNA binding studies of tartrazine food additive.

    Science.gov (United States)

    Kashanian, Soheila; Zeidali, Sahar Heidary

    2011-07-01

    The interaction of native calf thymus DNA with tartrazine in 10 mM Tris-HCl aqueous solution at neutral pH 7.4 was investigated. Tartrazine is a nitrous derivative and may cause allergic reactions, with a potential of toxicological risk. Also, tartrazine induces oxidative stress and DNA damage. Its DNA binding properties were studied by UV-vis and circular dichroism spectra, competitive binding with Hoechst 33258, and viscosity measurements. Tartrazine molecules bind to DNA via groove mode as illustrated by hyperchromism in the UV absorption band of tartrazine, decrease in Hoechst-DNA solution fluorescence, unchanged viscosity of DNA, and conformational changes such as conversion from B-like to C-like in the circular dichroism spectra of DNA. The binding constants (K(b)) of DNA with tartrazine were calculated at different temperatures. Enthalpy and entropy changes were calculated to be +37 and +213 kJ mol(-1), respectively, according to the Van't Hoff equation, which indicated that the reaction is predominantly entropically driven. Also, tartrazine does not cleave plasmid DNA. Tartrazine interacts with calf thymus DNA via a groove interaction mode with an intrinsic binding constant of 3.75 × 10(4) M(-1).

  12. A 600-ka Arctic sea-ice record from Mendeleev Ridge based on ostracodes

    Science.gov (United States)

    Cronin, Thomas M.; Polyak, L.V.; Reed, D.; Kandiano, E. S.; Marzen, R. E.; Council, E. A.

    2013-01-01

    Arctic paleoceanography and sea-ice history were reconstructed from epipelagic and benthic ostracodes from a sediment core (HLY0503-06JPC, 800 m water depth) located on the Mendeleev Ridge, Western Arctic Ocean. The calcareous microfaunal record (ostracodes and foraminifers) covers several glacial/interglacial cycles back to estimated Marine Isotope Stage 13 (MIS 13, ∼500 ka) with an average sedimentation rate of ∼0.5 cm/ka for most of the stratigraphy (MIS 5–13). Results based on ostracode assemblages and an unusual planktic foraminiferal assemblage in MIS 11 dominated by a temperate-water species Turborotalita egelida show that extreme interglacial warmth, high surface ocean productivity, and possibly open ocean convection characterized MIS 11 and MIS 13 (∼400 and 500 ka, respectively). A major shift in western Arctic Ocean environments toward perennial sea ice occurred after MIS 11 based on the distribution of an ice-dwelling ostracode Acetabulastoma arcticum. Spectral analyses of the ostracode assemblages indicate sea ice and mid-depth ocean circulation in western Arctic Ocean varied primarily at precessional (∼22 ka) and obliquity (∼40 ka) frequencies.

  13. A ˜200 ka record of climatic change and dune activity in the Thar Desert, India

    Science.gov (United States)

    Singhvi, A. K.; Williams, M. A. J.; Rajaguru, S. N.; Misra, V. N.; Chawla, S.; Stokes, S.; Chauhan, N.; Francis, T.; Ganjoo, R. K.; Humphreys, G. S.

    2010-11-01

    An 18.4 m excavated dune section in the Thar Desert of India with a chronology based on 12 TL ages and a basal age of ˜190 ka has preserved 12 cycles of dune accretion, soil formation, calcrete development, and subsequent erosion, together with the presence of stone artefacts ranging in age from Lower Palaeolithic to Mesolithic, coeval with more humid climatic interludes. Phases of soil development and carbonate precipitation were relatively wet and phases of dune accretion relatively dry, so that there were 12 significant moist intervals separated by 11 drier intervals during the past ˜190 ka. The calculated time interval between successive phases of dune sand accumulation ranged from 22.2 ka to 15.8 ka, with a mean of 19.0 ka. These values are consistent with a precessional influence on dune activity and on the associated onset of early monsoonal activity in this region. Carbon isotopes measured on organic matter within the sand profiles show consistent values close to -21.6 ± 1‰, pointing to deposition during a transitional climatic regime characterized by a change from open C3 grassland to C4 woodland or forest.

  14. Ka-band Technologies for Small Spacecraft Communications via Relays and Direct Data Downlink

    Science.gov (United States)

    Budinger, James M.; Niederhaus, Charles; Reinhart, Richard; Downey, Joe; Roberts, Anthony

    2016-01-01

    As the scientific capabilities and number of small spacecraft missions in the near Earth region increase, standard yet configurable user spacecraft terminals operating in Ka-band are needed to lower mission cost and risk and enable significantly higher data return than current UHF or S-band terminals. These compact Ka-band terminals are intended to operate with both the current and next generation of Ka-band relay satellites and via direct data communications with near Earth tracking terminals. This presentation provides an overview of emerging NASA-sponsored and commercially provided technologies in software defined radios (SDRs), transceivers, and electronically steered antennas that will enable data rates from hundreds of kbps to over 1 Gbps and operate in multiple frequency bands (such as S- and X-bands) and expand the use of NASA's common Ka-bands frequencies: 22.55-23.15 GHz for forward data or uplink; and 25.5-27.0 GHz for return data or downlink. Reductions in mass, power and volume come from integration of multiple radio functions, operations in Ka-band, high efficiency amplifiers and receivers, and compact, flat and vibration free electronically steered narrow beam antennas for up to + 60 degrees field of regard. The software defined near Earth space transceiver (SD-NEST) described in the presentation is intended to be compliant with NASA's space telecommunications radio system (STRS) standard for communications waveforms and hardware interoperability.

  15. Multiple binding of bilirubin to human serum albumin and cobinding with laurate

    DEFF Research Database (Denmark)

    Sato, H; Honoré, B; Brodersen, R

    1988-01-01

    Numerical analysis of multiple binding of two ligands to one carrier has been accomplished, using the principle of several sets of acceptable binding constants, with bilirubin-laurate-albumin as an example. Binding of bilirubin to defatted human serum albumin was investigated by a spectroscopic m...

  16. Tautomers and Acid Dissociation Constants of 6-Selenoguanine from Density Functional Theoretical Calculations

    International Nuclear Information System (INIS)

    Kim, Yong Seong; Jang, Yun Hee; Cho, Hyun; Hwang, Sun Gu

    2010-01-01

    The relative stabilities of the tautomers of SeG were calculated. In the aqueous phase, amino-seleno form was the major tautomer of neutral SeG with a minor contribution from the other amino-seleno form. The presence of the selenolic form was negligible from the calculations. The microscopic and macroscopic pKa values in the aqueous phase were calculated from this scheme. The calculated pKa value was in good agreement with the experimental data. These results demonstrated that this method could predict and explain the acid-base properties of SeG and could be used to understand the behavior of the species. A number of analogues of nucleic acid bases have been the target of extensive studies because of their importance in many biological studies. The oxygen of both purine and pyrimidine bases is substituted with sulfur or selenium to produce an important class of analogues. 6-Selenoguanine (SeG) has a significant activity against L5178Y lymphoma cells. However, the detailed mechanism of the antiplastic action is not known yet. Information on the acid dissociation constants and the tautomerism of the molecules is required to provide a molecular level understanding of biological processes. Proton-transfer in the nucleic acid pairs and the presence of the tautomeric equilibrium play an important role in the mispair formation during the DNA replication

  17. Fractionation of oil sands-process affected water using pH-dependent extractions: a study of dissociation constants for naphthenic acids species.

    Science.gov (United States)

    Huang, Rongfu; Sun, Nian; Chelme-Ayala, Pamela; McPhedran, Kerry N; Changalov, Mohamed; Gamal El-Din, Mohamed

    2015-05-01

    The fractionation of oil sands process-affected water (OSPW) via pH-dependent extractions was performed to quantitatively investigate naphthenic acids (NAs, CnH2n+ZO2) and oxidized NAs (Ox-NAs) species (CnH2n+ZO3 and CnH2n+ZO4) using ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC-TOFMS). A mathematical model was also developed to estimate the dissociation constant pKa for NAs species, considering the liquid-liquid extraction process and the aqueous layer acid-base equilibrium. This model provides estimated dissociation constants for compounds in water samples based on fractionation extraction and relative quantification. Overall, the sum of O2-, O3-, and O4-NAs species accounted for 33.6% of total extracted organic matter. Accumulative extracted masses at different pHs revealed that every oxygen atom added to NAs increases the pKa (i.e., O2-NAsKa of O2-, O3-, and O4-NAs. The model obtained estimated pKa values of 3.5 for O2-NAs, 4.8 for O3-NAs, and 6.8 for O4-NAs via nonlinear regression curve fittings. These pKa values are valuable physicochemical parameters for environmental engineering applications targeting OSPW NAs treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Total iron binding capacity

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/article/003489.htm Total iron binding capacity To use the sharing features on this page, please enable JavaScript. Total iron binding capacity (TIBC) is a blood test to ...

  19. Triiodothyronine (T3)-associated upregulation and downregulation of nuclear T3 binding in the human fibroblast cell (MRC-5)--stimulation of malic enzyme, glucose-6-phosphate-dehydrogenase, and 6-phosphogluconate-dehydrogenase by insulin, but not by T3

    DEFF Research Database (Denmark)

    Matzen, L E; Kristensen, S R; Kvetny, J

    1991-01-01

    The specific nuclear binding of triiodothyronine (T3) (NBT3) and the activity of malic enzyme (ME), glucose-6-phosphate-dehydrogenase (G6PD), and 6-phosphogluconate-dehydrogenase (6PGD) were studied in the human fibroblast cell (MRC-5). The overall apparent binding affinity (Ka) was 2.7 x 10(9) L...

  20. Diatom species composition in the Raška river (Southwestern Serbia

    Directory of Open Access Journals (Sweden)

    Vidaković Danijela P.

    2015-01-01

    Full Text Available The paper presents data on the composition of epilithic diatoms in the Raška River. Samples were collected by scraping stone surfaces with a brush from 5 localities along the Raška River in April, June, August and November 2011 and March and May 2012. Diatom frustules were cleaned using cold acid method, and mounted on permanent slides. An investigation of the Raška River resulted in description of 106 diatom taxa. The most species rich genera are Navicula (10, Gomphonema (10 and Nitzschia (9, while other genera are presented with one or more species. Detailed floristic analysis of the benthic diatom flora in this river has not been conducted before. Therefore, this paper provides a groundwork for future researches. [Projekat Ministarstva nauke Republike Srbije, br. TR 037009

  1. Ka-band microwave generation using the Smith-Purcell effect

    International Nuclear Information System (INIS)

    Ekdahl, C.A.; Davis, H.A.

    1983-01-01

    The CERETRON microwave generator concept relies on the conversion of intense relativistic electron beam (REB) energy into highpower microwave emission through the Smith-Purcell effect. We report initial results from experiments with the production of Ka-band Smith-Purcell radiation generated by a 50-kA, 2.8-MeV beam propagated through a cylindrical transmission grating with lambda 0 = 1 cm. These experiments were performed without a quasi-optical resonator, and the output was limited by breakdown of the grating and by limited access through the 90-kG magnet coil. Nevertheless, the measured power output from these initial experiments was about 7 kW in the Ka band

  2. 20.5 kA current leads for ATLAS Barrel Toroid superconducting magnets

    CERN Document Server

    Dudarev, A; Boxman, E W; Keilin, V E; Kopeikin, N P; Kovalev, I A; Kuljamzin, A N; Romanovski, V G; Shcherbakov, V I; Shugaev, I; Stepanov, V V

    2002-01-01

    Three pairs of 20.5 kA current leads for the ATLAS Toroid Magnets have been designed, manufactured and tested at Kurchatov Institute. The current leads have a high mechanical reliability and the vacuum tightness under 30 bars of internal pressure. The insulation between the current carrying parts and the mounting flange, the hydraulic connections and the temperature gauges withstand the overvoltage of at least 2 kV. The current leads are fully equipped with diagnostics needed for safety and control. The current leads were tested up to 24 kA. According to CERN's specification they were also tested in the absence of any cooling at very slow current discharge rate (5 A/s) from 20.5 kA to zero without any excessive overheating. Nowadays the current leads are successfully used at the ATLAS Magnet Test Facility at CERN. (6 refs).

  3. Validation of SARAL/AltiKa data in the Amazon basin

    Science.gov (United States)

    Santos da Silva, Joecila; Calmant, Stephane; Medeiros Moreira, Daniel; Oliveira, Robson; Conchy, Taina; Gennero, Marie-Claude; Seyler, Frederique

    2015-04-01

    SARAL/AltiKa is a link between past missions (since it flies on the ERS-ENVISAT orbit with Ku band nadir altimeters in LRM) and future missions such as SWOT's Ka band interferometry swaths. In the present study, we compare the capability of its altimeter AltiKa to that of previous missions working in the Ku band such as ENVISAT and Jason-2 in retrieving water levels over the Amazon basin. Same as for the aforementioned preceding missions, the best results were obtained with the ICE-1 retracking algorithm. We qualitatively analyze the impact of rainfalls in the loss of measurements. Since making long -multi mission- time series is of major importance either for hydro-climatic studies or for basin management, we also present an estimate of the altimeter bias in order that the SARAL series of water level can be appended to those of these previous missions.

  4. Derivation of the optical constants of anisotropic

    Science.gov (United States)

    Aronson, J. R.; Emslie, A. G.; Smith, E. M.; Strong, P. F.

    1985-07-01

    This report concerns the development of methods for obtaining the optical constants of anisotropic crystals of the triclinic and monoclinic systems. The principal method used, classical dispersion theory, is adapted to these crystal systems by extending the Lorentz line parameters to include the angles characterizing the individual resonances, and by replacing the dielectric constant by a dielectric tensor. The sample crystals are gypsium, orthoclase and chalcanthite. The derived optical constants are shown to be suitable for modeling the optical properties of particulate media in the infrared spectral region. For those materials where suitable size single crystals are not available, an extension of a previously used method is applied to alabaster, a polycrystalline material of the monoclinic crystal system.

  5. Fast optimization algorithms and the cosmological constant

    Science.gov (United States)

    Bao, Ning; Bousso, Raphael; Jordan, Stephen; Lackey, Brad

    2017-11-01

    Denef and Douglas have observed that in certain landscape models the problem of finding small values of the cosmological constant is a large instance of a problem that is hard for the complexity class NP (Nondeterministic Polynomial-time). The number of elementary operations (quantum gates) needed to solve this problem by brute force search exceeds the estimated computational capacity of the observable Universe. Here we describe a way out of this puzzling circumstance: despite being NP-hard, the problem of finding a small cosmological constant can be attacked by more sophisticated algorithms whose performance vastly exceeds brute force search. In fact, in some parameter regimes the average-case complexity is polynomial. We demonstrate this by explicitly finding a cosmological constant of order 10-120 in a randomly generated 1 09-dimensional Arkani-Hamed-Dimopoulos-Kachru landscape.

  6. Effects of quantum entropy on bag constant

    International Nuclear Information System (INIS)

    Miller, D.E.; Tawfik, A.

    2012-01-01

    The effects of quantum entropy on the bag constant are studied at low temperatures and for small chemical potentials. The inclusion of the quantum entropy of the quarks in the equation of state provides the hadronic bag with an additional heat which causes a decrease in the effective latent heat inside the bag. We have considered two types of baryonic bags, Δ and Ω - . In both cases we have found that the bag constant without the quantum entropy almost does not change with temperature and quark chemical potential. The contribution from the quantum entropy to the equation of state clearly decreases the value of the bag constant. Furthermore, we construct states densities for quarks using the 'Thomas Fermi model' and take into consideration a thermal potential for the interaction. (author)

  7. Conformally invariant braneworld and the cosmological constant

    International Nuclear Information System (INIS)

    Guendelman, E.I.

    2004-01-01

    A six-dimensional braneworld scenario based on a model describing the interaction of gravity, gauge fields and 3+1 branes in a conformally invariant way is described. The action of the model is defined using a measure of integration built of degrees of freedom independent of the metric. There is no need to fine tune any bulk cosmological constant or the tension of the two (in the scenario described here) parallel branes to obtain zero cosmological constant, the only solutions are those with zero 4D cosmological constant. The two extra dimensions are compactified in a 'football' fashion and the branes lie on the two opposite poles of the compact 'football-shaped' sphere

  8. Construction and experimental testing of the constant-bandwidth constant-temperature anemometer.

    Science.gov (United States)

    Ligeza, P

    2008-09-01

    A classical constant-temperature hot-wire anemometer enables the measurement of fast-changing flow velocity fluctuations, although its transmission bandwidth is a function of measured velocity. This may be a source of significant dynamic errors. Incorporation of an adaptive controller into the constant-temperature system results in hot-wire anemometer operating with a constant transmission bandwidth. The construction together with the results of experimental testing of a constant-bandwidth hot-wire anemometer prototype are presented in this article. During the testing, an approximately constant transmission bandwidth of the anemometer was achieved. The constant-bandwidth hot-wire anemometer can be used in measurements of high-frequency variable flows characterized by a wide range of velocity changes.

  9. Thermodynamics of nucleotide binding to actomyosin V and VI: a positive heat capacity change accompanies strong ADP binding.

    Science.gov (United States)

    Robblee, James P; Cao, Wenxiang; Henn, Arnon; Hannemann, Diane E; De La Cruz, Enrique M

    2005-08-02

    We have measured the energetics of ATP and ADP binding to single-headed actomyosin V and VI from the temperature dependence of the rate and equilibrium binding constants. Nucleotide binding to actomyosin V and VI can be modeled as two-step binding mechanisms involving the formation of collision complexes followed by isomerization to states with high nucleotide affinity. Formation of the actomyosin VI-ATP collision complex is much weaker and slower than for actomyosin V. A three-step binding mechanism where actomyosin VI isomerizes between two conformations, one competent to bind ATP and one not, followed by rapid ATP binding best accounts for the data. ADP binds to actomyosin V more tightly than actomyosin VI. At 25 degrees C, the strong ADP-binding equilibria are comparable for actomyosin V and VI, and the different overall ADP affinities arise from differences in the ADP collision complex affinity. The actomyosin-ADP isomerization leading to strong ADP binding is entropy driven at >15 degrees C and occurs with a large, positive change in heat capacity (DeltaC(P) degrees ) for both actomyosin V and VI. Sucrose slows ADP binding and dissociation from actomyosin V and VI but not the overall equilibrium constants for strong ADP binding, indicating that solvent viscosity dampens ADP-dependent kinetic transitions, presumably a tail swing that occurs with ADP binding and release. We favor a mechanism where strong ADP binding increases the dynamics and flexibility of the actomyosin complex. The heat capacity (DeltaC(P) degrees ) and entropy (DeltaS degrees ) changes are greater for actomyosin VI than actomyosin V, suggesting different extents of ADP-induced structural rearrangement.

  10. Numerical study of a 50 kA current lead using bulk high temperature superconductors

    International Nuclear Information System (INIS)

    Heller, R.

    1993-06-01

    Based on the design of the 30 kA current lead with a low temperature superconductor (LTSC) forseen for the test of a superconducting pulsed model coil (POLO model coil) in the test facility TOSKA at KfK, a 50 kA current lead for the future test of a model coil for the International Thermonuclear Experimental Reactor ITER in the TOSKA facility was proposed resulting in a helium mass flow rate normalized to the current of 0.055 g/(s-kA) at 50 kA resp. of 0.015 g/(s-kA) at zero current. In this paper, the possibility of the use of High Temperature Superconductors (HTSC) for high current carrying current leads cooled by forced flow supercritical helium has been investigated in order to study the capabilities. The current lead behaviour has been theoretically studied under different conditions: zero current operation, nominal current (50 kA) operation, extended current (70 kA) operation, and safety behaviour (loss of helium mass flow). Two design cases which differ in the current sharing and critical temperatures of the HTSC have been investigated in order to look on the amount of helium mass flow reduction. The result is that the reduction of mass flow rate will be 50% at zero current and about 10 to 20% at 50 kA for the two cases. The transient behaviour of the HTSC lead differs considerably from the one of the LTSC lead due to the high electrical resisitivity of the HTSC. (orig.)

  11. pKa determination by ¹H NMR spectroscopy - an old methodology revisited.

    Science.gov (United States)

    Bezençon, Jacqueline; Wittwer, Matthias B; Cutting, Brian; Smieško, Martin; Wagner, Bjoern; Kansy, Manfred; Ernst, Beat

    2014-05-01

    pKa values of acids and protonated bases have an essential impact on organic synthesis, medicinal chemistry, and material and food sciences. In drug discovery and development, they are of utmost importance for the prediction of pharmacokinetic and pharmacodynamic properties. To date, various methods for the determination of pKa values are available, including UV-spectroscopic, potentiometric, and capillary electrophoretic techniques. An additional option is provided by nuclear magnetic resonance (NMR) spectroscopy. The underlying principle is the alteration of chemical shifts of NMR-active nuclei (e.g., (13)C and (1)H) depending on the protonation state of adjacent acidic or basic sites. When these chemical shifts are plotted against the pH, the inflection point of the resulting sigmoidal curve defines the pKa value. Although pKa determinations by (1)H NMR spectroscopy are reported for numerous cases, the potential of this approach is not yet fully evaluated. We therefore revisited this method with a diverse set of test compounds covering a broad range of pKa values (pKa 0.9-13.8) and made a comparison with four commonly used approaches. The methodology revealed excellent correlations (R(2)=0.99 and 0.97) with electropotentiometric and UV spectroscopic methods. Moreover, the comparison with in silico results (Epik and Marvin) also showed high correlations (R(2)=0.92 and 0.94), further confirming the reliability and utility of this approach. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Cosmological constant, supersymmetry, nonassociativity, and big numbers

    Energy Technology Data Exchange (ETDEWEB)

    Dzhunushaliev, Vladimir [KazNU, Department of Theoretical and Nuclear Physics, Almaty (Kazakhstan); IETP, Al-Farabi KazNU, Almaty (Kazakhstan)

    2015-02-01

    The nonassociative generalization of supersymmetry is considered. It is shown that the associator of four supersymmetry generators has the coefficient ∝ ℎ/l{sub 0}{sup 2} where l0 is some characteristic length. Two cases are considered: (a) l{sub 0}{sup -2} coincides with the cosmological constant; (b) l{sub 0} is the classical radius of the electron. It is also shown that the scaled constant is of the order of 10{sup -120} for the first case and 10{sup -30} for the second case. The possible manifestation and smallness of nonassociativity is discussed. (orig.)

  13. The Cosmological Constant Problem (2/2)

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    I will review the cosmological constant problem as a serious challenge to our notion of naturalness in Physics. Weinberg’s no go theorem is worked through in detail. I review a number of proposals possibly including Linde's universe multiplication, Coleman's wormholes, the fat graviton, and SLED, to name a few. Large distance modifications of gravity are also discussed, with causality considerations pointing towards a global modification as being the most sensible option. The global nature of the cosmological constant problem is also emphasized, and as a result, the sequestering scenario is reviewed in some detail, demonstrating the cancellation of the Standard Model vacuum energy through a global modification of General Relativity.

  14. The Cosmological Constant Problem (1/2)

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    I will review the cosmological constant problem as a serious challenge to our notion of naturalness in Physics. Weinberg’s no go theorem is worked through in detail. I review a number of proposals possibly including Linde's universe multiplication, Coleman's wormholes, the fat graviton, and SLED, to name a few. Large distance modifications of gravity are also discussed, with causality considerations pointing towards a global modification as being the most sensible option. The global nature of the cosmological constant problem is also emphasized, and as a result, the sequestering scenario is reviewed in some detail, demonstrating the cancellation of the Standard Model vacuum energy through a global modification of General Relativity.

  15. Atomic weights: no longer constants of nature

    Science.gov (United States)

    Coplen, Tyler B.; Holden, Norman E.

    2011-01-01

    Many of us were taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis have changed the way we view atomic weights and why they are no longer constants of nature

  16. Decay constants of heavy-light mesons

    International Nuclear Information System (INIS)

    Allton, C.R.; Crisafulli, M.; Lubicz, V.; Martinelli, G.; Salina, G.; Bartoloni, A.; Battista, C.; Cabasino, S.; Cabibbo, N.; Marzano, F.; Paolucci, P.S.; Pech, J.; Rapuano, F.; Sarno, R.; Todesco, G.M.; Torelli, M.; Tross, W.; Vicini, P.

    1994-01-01

    The decay constants of the heavy-light pseudoscalar mesons are studied in a high statistics run using the Wilson action at β=6.0 and β=6.2, and the clover action at β=6.0. The systematics of O(a) discretisation errors are discussed. Our best estimates of the decay constants are: f D =218(9) MeV, f D /f D s =1.11(1) and we obtain preliminary values for f B . (orig.)

  17. Production of Cheese Kaçkavall from Cows Milk at Milk Industries in Kosova

    OpenAIRE

    , Shukri Maxhuni

    2016-01-01

    Milk processing in Kaçkavall cheese takes very important place in productivity of dairy, in the same time takes very important roll in domestic economy as well as nutritive for humankind. This study is done to research the technology for production of Kaçkaval cheese, (This types of cheese is classified to hard group of cheeses) with a little milk to produce 1kg cheese (Until now we need 10 liters of milk to produce 1 kg. of this kind of cheese), after research and analyses of physical-chemic...

  18. Kas kollaste kaartide lõpp toob lõpu ka lapsesoodustusele? / Jarno Laur

    Index Scriptorium Estoniae

    Laur, Jarno, 1975-

    2006-01-01

    Erastamisväärtpaberite väljaandmise ja kasutamise lõpetamise eelnõust, millega lõpetataks ka lastega seotud 25 000 kroonine hinnasoodustus maa väljaostmisel. Sama ka Vali Uudised 13. jaan. 2005, lk. 2 ; Kuulutaja 13. jaan. 2006, lk. 4 ; Põhjarannik 13. jaan. 2006, lk. 2 ; Lääne Elu 17. jaan. 2006, lk. 2 ; Nädaline 17. jaan. 2006, lk. 2 ; Hiiu Leht 17. jaan. 2006, lk. 2 ; Lõunaleht 19. jaan. 2006, lk. 2 ; Meie Maa 17. jaan. 2006, lk. 2 ; Vooremaa 21. jaan. 2006, lk. 2 ; Virumaa Nädalaleht 13. jaan. 2006, lk. 2 ; Valgamaalane 19. jaan. 2006, lk. 2

  19. Lattice theta constants vs Riemann theta constants and NSR superstring measures

    International Nuclear Information System (INIS)

    Dunin-Barkowski, P.; Morozov, A.; Sleptsov, A.

    2009-01-01

    We discuss relations between two different representations of hypothetical holomorphic NSR measures, based on two different ways of constructing the semi-modular forms of weight 8. One of these ways is to build forms from the ordinary Riemann theta constants and another - from the lattice theta constants. We discuss unexpectedly elegant relations between lattice theta constants, corresponding to 16-dimensional self-dual lattices, and Riemann theta constants and present explicit formulae expressing the former ones through the latter. Starting from genus 5 the modular-form approach to construction of NSR measures is clearly sick and it seems to fail completely already at genus 6.

  20. Constant-pH Hybrid Nonequilibrium Molecular Dynamics–Monte Carlo Simulation Method

    Science.gov (United States)

    2016-01-01

    A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys.2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD–MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD–MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems. PMID:26300709

  1. Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.

    Science.gov (United States)

    Chen, Yunjie; Roux, Benoît

    2015-08-11

    A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys. 2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD-MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD-MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems.

  2. Influência do tipo de amostragem na constante dielétrica do solo e na calibração de sondas de TDR Influence of sampling type on the dielectric constant and calibration of TDR probes

    Directory of Open Access Journals (Sweden)

    Marcelo Rocha dos Santos

    2010-04-01

    Full Text Available A técnica da TDR é uma importante ferramenta para o estudo do teor de água no solo. Para o correto emprego dessa técnica, é necessário calibrar modelos que relacionam o conteúdo volumétrico de água no solo com a constante dielétrica deste, considerando as características de cada solo. Assim, objetivou-se avaliar a influência do tipo de solo e da forma de amostragem (amostra deformada e não deformada na constante dielétrica (Ka do solo e no desempenho de modelos para a estimativa do conteúdo volumétrico de água no solo (, usando a técnica TDR. Os solos utilizados foram um Cambissolo Háplico Tb distrófico (CX, um Latossolo Vermelho ácrico típico (LV e um Neossolo Quartzarênico (RQ, que apresentam diferenças quanto à textura. As amostras de solo referentes a CX e LV foram coletadas com estruturas deformadas e não deformadas, e as de RQ, apenas deformadas, devido à baixa agregação deste. A calibração foi realizada com sondas compostas de três hastes com 0,10 m de comprimento efetivo e 0,05 m de resina, com espaçamento entre hastes de 0,017 m e sem resistor na haste central, conectadas a um equipamento TDR 100 da Campbell Cientific. Os valores de Ka, para um mesmo valor de , foram alterados somente pela variação do tipo de solo, não sendo influenciados pelo tipo de amostragem do solo (deformada e não deformada. Em relação aos modelos testados para estimativa de em função de Ka, o polinomial cúbico foi o que apresentou melhor ajuste aos dados de determinados por gravimetria para o Neossolo Quartzarênico e para o Cambissolo Háplico, enquanto para o Latossolo Vermelho um modelo linear apresentou melhor ajuste.The technique of TDR (time-domain reflectometry is an important tool for the study of soil water content. For a correct use of this technique, models that relate the volumetric water content in soil with the soil dielectric constant must be calibrated, considering the characteristics of each soil. The

  3. Binding of poly(amidoamine), carbosilane, phosphorus and hybrid dendrimers to thrombin-Constants and mechanisms.

    Science.gov (United States)

    Shcharbin, Dzmitry; Pedziwiatr-Werbicka, Elzbieta; Vcherashniaya, Aliaksandra; Janaszewska, Anna; Marcinkowska, Monika; Goska, Piotr; Klajnert-Maculewicz, Barbara; Ionov, Maksim; Abashkin, Viktar; Ihnatsyeu-Kachan, Aliaksei; de la Mata, F Javier; Ortega, Paula; Gomez-Ramirez, Rafael; Majoral, Jean-Pierre; Bryszewska, Maria

    2017-07-01

    Thrombin is an essential part of the blood coagulation system; it is a serine protease that converts soluble fibrinogen into insoluble strands of fibrin, and catalyzes many other coagulation-related reactions. Absorption at its surface of small nanoparticles can completely change the biological properties of thrombin. We have analyzed the influence on thrombin of 3 different kinds of small nanoparticles: dendrimers (phosphorus-based, carbosilane based and polyamidoamine) and 2 hybrid systems containing carbosilane, viologen and phosphorus dendritic scaffolds in one single molecule, bearing different flexibility, size and surface charge. There was significant alteration in the rigidity of the rigid dendrimers in contrast to flexible dendrimers. These differences in their action are important in understanding interactions taking place at a bio-nanointerface. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Determination of stability constants using genetic algorithms

    NARCIS (Netherlands)

    Hartnett, Margaret K.; Bos, M.; van der Linden, W.E.; Diamond, Dermot

    1995-01-01

    A genetic algorithm (GA)-simplex hybrid approach has been developed for the determination of stability constants using calorimetric and polarographic data obtained from literature sources. The GA determined both the most suitable equilibrium model for the systems studied and the values of the

  5. Bounds on Gromov hyperbolicity constant in graphs

    Indian Academy of Sciences (India)

    Home; Journals; Proceedings – Mathematical Sciences; Volume 122; Issue 1. Bounds on Gromov Hyperbolicity Constant in Graphs. José M Rodríguez José M Sigarreta. Volume 122 ... Spain; Facultad de Matemáticas, Universidad Autónoma de Guerrero, Carlos E. Adame No. 54 Col. Garita, 39650 Acalpulco Gro., Mexico ...

  6. Timelike Constant Mean Curvature Surfaces with Singularities

    DEFF Research Database (Denmark)

    Brander, David; Svensson, Martin

    2014-01-01

    We use integrable systems techniques to study the singularities of timelike non-minimal constant mean curvature (CMC) surfaces in the Lorentz–Minkowski 3-space. The singularities arise at the boundary of the Birkhoff big cell of the loop group involved. We examine the behavior of the surfaces...

  7. Dissociative electron attachment to ozone: rate constant

    International Nuclear Information System (INIS)

    Skalny, J.D.; Cicman, P.; Maerk, T.D.

    2002-01-01

    The rate constant for dissociative electron attachment to ozone has been derived over the energy range of 0-10 eV by using previously measured cross section data revisited here in regards to discrimination effect occurring during the extraction of ions. The obtained data for both possible channels exhibit the maximum at mean electron energies close to 1 eV. (author)

  8. Internal machining accomplished at constant radii

    Science.gov (United States)

    Gollihugh, T. E.

    1966-01-01

    Device machines fluid passages in workpieces at constant radii through two adjacent surfaces that are at included angles up to approximately 120 degrees. This technique has been used extensively in fabricating engine parts where close control of fluid flow is a requirement.

  9. On the determination of the Hubble constant

    International Nuclear Information System (INIS)

    Gurzadyan, V.G.; Harutyunyan, V.V.; Kocharyan, A.A.

    1990-10-01

    The possibility of an alternative determination of the distance scale of the Universe and the Hubble constant based on the numerical analysis of the hierarchical nature of the large scale Universe (galaxies, clusters and superclusters) is proposed. The results of computer experiments performed by means of special numerical algorithms are represented. (author). 9 refs, 7 figs

  10. On Product Logic with Truth-Constants

    Czech Academy of Sciences Publication Activity Database

    Savický, Petr; Cignoli, R.; Esteva, F.; Godo, L.; Noguera, C.

    2006-01-01

    Roč. 16, č. 2 (2006), s. 205-225 ISSN 0955-792X R&D Projects: GA MŠk 1M0545 Keywords : non-classical logic * fuzzy logic * product logic * truth-constants * standard completeness Subject RIV: BA - General Mathematics Impact factor: 0.840, year: 2006

  11. The Nature of the Cosmological Constant Problem

    Science.gov (United States)

    Maia, M. D.; Capistrano, A. J. S.; Monte, E. M.

    General relativity postulates the Minkowski space-time as the standard (flat) geometry against which we compare all curved space-times and also as the gravitational ground state where particles, quantum fields and their vacua are defined. On the other hand, experimental evidences tell that there exists a non-zero cosmological constant, which implies in a deSitter ground state, which not compatible with the assumed Minkowski structure. Such inconsistency is an evidence of the missing standard of curvature in Riemann's geometry, which in general relativity manifests itself in the form of the cosmological constant problem. We show how the lack of a curvature standard in Riemann's geometry can be fixed by Nash's theorem on metric perturbations. The resulting higher dimensional gravitational theory is more general than general relativity, similar to brane-world gravity, but where the propagation of the gravitational field along the extra dimensions is a mathematical necessity, rather than a postulate. After a brief introduction to Nash's theorem, we show that the vacuum energy density must remain confined to four-dimensional space-times, but the cosmological constant resulting from the contracted Bianchi identity represents a gravitational term which is not confined. In this case, the comparison between the vacuum energy and the cosmological constant in general relativity does not make sense. Instead, the geometrical fix provided by Nash's theorem suggests that the vacuum energy density contributes to the perturbations of the gravitational field.

  12. Redundant internal coordinates, compliance constants and non ...

    Indian Academy of Sciences (India)

    Abstract. A long standing problem in normal mode analysis is identifying the right internal coordinates given only the cartesian coordinates, the masses of the atoms and the cartesian force constants without using any other additional chemical information. A possible solution is suggested here as drawing the normal modes.

  13. Lifetime of titanium filament at constant current

    International Nuclear Information System (INIS)

    Chou, T.S.; Lanni, C.

    1981-01-01

    Titanium Sublimation Pump (TSP) represents the most efficient and the least expensive method to produce Ultra High Vacuum (UHV) in storage rings. In ISABELLE, a proton storage accelerator under construction at Brookhaven National Laboratory, for example, TSP provides a pumping speed for hydrogen of > 2 x 10 6 l/s. Due to the finite life of titanium filaments, new filaments have to be switched in before the end of filament burn out, to ensure smooth operation of the accelerator. Therefore, several operational modes that can be used to activate the TSP were studied. The constant current mode is a convenient way of maintaining constant evaporating rate by increasing the power input while the filament diameter decreases as titanium evaporates. The filaments used in this experiment were standard Varian 916-0024 filaments made of Ti 85%, Mo 15% alloy. During their lifetime at a constant current of 48 amperes, the evaporation rate rose to a maximum at about 10% of their life and then flattened out to a constant value, 0.25 g/hr. The maximum evaporation rate occurs coincidently with the recrystallization of 74% Ti 26% Mo 2 from microstructure crystalline at higher titanium concentration to macrostructure crystalline at lower titanium concentration. As the macrocrystal grows, the slip plane develops at the grain boundary resulting in high resistance at the slip plane which will eventually cause the filament burn out due to local heating

  14. Simple atoms: QED tests and fundamental constants

    International Nuclear Information System (INIS)

    Karshenboim, S.G.

    2002-01-01

    Full text: Study of simple atoms can be performed theoretically and experimentally with a high accuracy and a comparison of theory and experiment provide us with several high precision tests of bound state QED. Theory cannot actually leads to a figure to compare with experiment, but it only can present some measurable quantities in terms of fundamental and auxiliary constants. That offers an opportunity to obtain new accurate values of some fundamental constants. Theory of simple atoms is based on Quantum electrodynamics but also involves an essential part of nuclear and particle physics. A significant part of experiments are related to high-resolution laser spectroscopy. Present status of the precision physics of simple atoms is presented in detail. We overview a comparison of the theory of such atoms, bound state QED, and the experiment. In particular, we consider the hyperfine structure in light atoms and the g-factor of a bound electron in hydrogen-like ions at low and medium Z. We discuss a project on optical measurement of of 2s hyperfine interval in atomic hydrogen. We also pay attention to determination of the fundamental constants from study of simple atoms. The constants under consideration includes alpha, electron-to-proton mass ratio and electron-to-muon mass ratio

  15. The case for the cosmological constant

    Indian Academy of Sciences (India)

    The main motivation for invoking a small cosmological constant (orA-term) at the present epoch has to ... positive A-term leads to an increase in the luminosity distance and hence to a decline in the observed luminosity of high .... 0 leads to a longer age for the universe and could resolve the 'age problem' which has proved ...

  16. PION-NUCLEON COUPLING-CONSTANT

    NARCIS (Netherlands)

    STOKS,; TIMMERMANS, R; DESWART, JJ

    In view of the persisting misunderstandings about the determination of the pion-nucleon coupling constants in the Nijmegen multienergy partial-wave analyses of pp, np, and ppBAR scattering data, we present additional information which may clarify several points of discussion. We comment on several

  17. Time constant of logarithmic creep and relaxation

    CSIR Research Space (South Africa)

    Nabarro, FRN

    2001-07-15

    Full Text Available length and hardness which vary logarithmically with time. For dimensional reasons, a logarithmic variation must involve a time constant tau characteristic of the process, so that the deformation is proportional to ln(t/tau). Two distinct mechanisms...

  18. Spectrophotometric determination of acidity constants of Alizarine Red S in water, water-Brij-35 and water-SDS micellar media solutions

    Science.gov (United States)

    Niazi, Ali; Ghalie, Mohammad; Yazdanipour, Ateesa; Ghasemi, Jahanbakhsh

    2006-06-01

    The acidity constants of Alizarine Red S in water, water-Brij-35 and water-SDS micellar media solutions at 25 °C and an ionic strength of 0.1 M have been determined spectrophotometrically. To evaluate the pH-absorbance data, a resolution method based on the combination of soft- and hard-modeling is applied. The acidity constants of all related equilibria are estimated using the whole spectral fitting of the collected data to an established factor analysis model. DATAN program applied for determination of acidity constants. Results show that the p Ka values of Alizarine Red S are influenced as the percentages of a neutral and an anionic surfactant such as Brij-35 and SDS, respectively, added to the solution of this reagent. Effect of surfactant on acidity constants and pure spectrum of each component are also discussed.

  19. Reliability of dissociation constants and resolution capability of SQUAD(84) and SPECFIT/32 in the regression of multiwavelength spectrophotometric pH-titration data

    Science.gov (United States)

    Meloun, Milan; Ferenčíková, Zuzana; Javůrek, Milan

    2012-02-01

    The resolving power of multicomponent spectral analysis and the computation reliability of the stability constants and molar absorptivities determined for five variously protonated anions of physostigmine salicylate by the SQUAD(84) and SPECFIT/32 programs has been examined with the use of simulated and experimental spectra containing overlapping spectral bands. The reliability of the dissociation constants of drug was proven with goodness-of-fit tests and by examining the influence of pre-selected noise level sinst( A) in synthetic spectra regarding the precision s(p K) and also accuracy of the estimated dissociation constants. Precision was examined as the linear regression model s(p K) = β0 + β1 sinst( A). In all cases the intercept β0 was statistically insignificant. When an instrumental error sinst( A) is small and less than 0.5 mAU, the parameters' estimates are nearly the same as the bias Δp K = p Ka,calc - p Ka,true is quite negligible. In all four dissociation constants the bias seems to be quite small even though for p Ka4 it is a little bit higher, i.e., +0.05 for sinst( A) about 1.0 mAU. In the interval of sinst( A) from 0.1 to 1.0 mAU all four dissociation constants p Ki are accurate enough. Of the various regression diagnostics considered, the goodness-of-fit is the most efficient criterion of whether the parameters found adequately represent the data. The magnitude of instrumental error sinst( A) only slightly affects the shape of a Cattel's scree graph sk( A) = f( k) to determine the true number of light-absorbing species in the equilibrium mixture.

  20. Construction of Lines of Constant Density and Constant Refractive Index for Ternary Liquid Mixtures.

    Science.gov (United States)

    Tasic, Aleksandar Z.; Djordjevic, Bojan D.

    1983-01-01

    Demonstrates construction of density constant and refractive index constant lines in triangular coordinate system on basis of systematic experimental determinations of density and refractive index for both homogeneous (single-phase) ternary liquid mixtures (of known composition) and the corresponding binary compositions. Background information,…

  1. Hydrogen bonding plays a significant role in the binding of coomassie brilliant blue-R to hemoglobin: FT-IR, fluorescence and molecular dynamics studies.

    Science.gov (United States)

    Maity, Mritunjoy; Dolui, Sandip; Maiti, Nakul C

    2015-12-14

    An analog of coomassie brilliant blue-R (CBB-R) was recently found to act as an antagonist to ATP-sensitive purinergic receptors (P2X7R) and has potential to be used in medicine. With the aim of understanding its transportation and distribution through blood, in this investigation, we measured the binding parameters of CBB-R with bovine hemoglobin (BHG). The molecule specifically bound to a single binding site of the protein with a stoichiometric ratio of 1 : 1 and the observed binding constant Ka was 3.5, 2.5, 2.0 and 1.5 × 10(5) M(-1) at 20 °C, 27 °C, 37 °C and 45 °C, respectively. The measured respective ΔG(0) values of the binding at four temperatures were -30.45, -22.44, -18.04 and -11.95 kJ mol(-1). The ΔH(0) (change in enthalpy) and ΔS(0) (change in entropy) values were -23.6 kJ mol(-1) and -70.66 J mol(-1) respectively in the binding process. The negative value of ΔH(0) and ΔS(0) indicated that the binding of the molecule was thermodynamically favorable. The best energy structure in the molecular docking analysis revealed that CBB-R preferred to be intercalated in the cavity among the α2, β1 and β2 subunits and the binding location was 7.4 Å away from Trp37 in the β2 subunit. The binding of the molecule with the protein was stabilized by hydrogen bonds involving the side chain of two amino acid residues. The residues were Lys104 and Glu101 in the β2 subunit. The binding was further stabilized via hydrogen bond formation between the amide group of the peptide backbone (residue Tyr145 of the β1 subunit) and CBB-R. A shift of the amide I (-C=O stretching) band frequency of ∼8 cm(-1) to low energy was ascribed to the hydrogen bond interaction involving the polypeptide carbonyl of the protein and the CBB-R molecule. In addition, two π-cation interactions between Lys99 of the α2 subunit and Lys104 of the β2 subunit and CBB-R contributed favorably in the binding processes. No substantial change in the soret and Q absorption bands of BHG

  2. Tuning affinity and reversibility for O2 binding in dinuclear Co(II) complexes

    DEFF Research Database (Denmark)

    Vad, Mads Sørensen; Johansson, Frank Bartnik; Seidler-Egdal, Rune Kirk

    2013-01-01

    )]2+ and [Co2(bpbp)- (O2)(CCl3CO2)]2+. The O2 affinities can be qualitatively correlated with both the pKa value of the parent acetic or chloroacetic acid and the redox potential of the O2 2−/O2˙− couple measured for the peroxidebridged complexes. The redox potential varies between 510 mV (vs. Fc0...... qualitatively consistent with the expectation from the pKa of the parent 1-naphthoic acid. Introduction Reversible dioxygen binding is a life-supporting process for respiring organisms carried out by three classes of metalloproteins: hemoglobin, hemerythrin, and hemocyanin, the latter two...

  3. Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Methods Comparaison des valeurs de pKa de quelques acides aminés, dipeptides et tripeptides, prédites en utilisant les méthodes COSMO-RS, ChemAxon et ACD/Labs

    Directory of Open Access Journals (Sweden)

    Toure O.

    2013-05-01

    Full Text Available Liquid-phase pKa values play a key role in food science. Chemical properties of molecules depend largely on whether they are ionized or not. Most organic molecules are capable of gaining and/or losing a proton in aqueous solutions. Proton transfer most. frequently occurs between water and any ionizable atom of the organic molecule. The molecule’s response to profanation or deprotonation depends significantly on the site that was disturbed by proton transfer. Partial charge distribution in the molecule also varies with protonation of the acidlbase active sites. Then it can he used to determine the pKa of a molecule. First, we use the COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical thermodynamics treatment fin- more Realistic Solvation (RS simulations, for the direct prediction of pKa constants of about 50 molecules (amino-acids, dipeptides and tripeptides. Then, we compare our results with experimental data and the pKa values predicted using two other methods. We used respectively the ChemAxon method using a program based on the calculation of partial charge of atoms in the molecule and the ACD/Labs method that enables to calculate single pKa values. for all possible dissociation centers when the rest of the molecule is considered neutral, using an internal database containing chemical structures and their experimental pKa values. The averaged Root Mean Square Error (RMSE of the predicted pKa values for each method compared to experimental results were respectively 0.596 for COSMO-RS, 0.445 for ChemAxon and 0.490 for ACD/Labs. While ACDILabs and ChemAxon are parameterized using a large set ofexperimental data (including several of the studied molecules, the COSMO- RS method was used in a fully predictive way. Regarding these results, COSMO-RS appears as a promising method to predict the pKa values of molecules of interest in food science with scarce available pKa values such

  4. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  5. The binding of Np to rat bone

    International Nuclear Information System (INIS)

    Ramounet, B.; Taylor, D.M.

    1997-01-01

    Neptunium has been shown to massively deposit in bone, after intravenous or intramuscular injections. Initially, it was uniformly distributed on periosteal and endosteal bone surfaces. The nature of the binding molecules, for this actinide, in the skeleton, has not yet been identified. The aim of this work was to characterize the ligands of neptunium by selective extractions of bone components. The preliminary results displayed the binding of 237 Np(IV) in the organic phase of bone, after intravenous or intramuscular contamination. Further studies are in progress, to quantify the fraction of Np bound to the organic and mineral compartment of bone, and to determine the affinity constant and the turn-over of the binding proteins. (authors)

  6. A 40 ka high-resolution soil carbonate record from southern Utah: proxy development, paleohydrology, and paleoecology

    Science.gov (United States)

    Huth, T.; Cerling, T. E.; Marchetti, D. W.; Fernandez, D. P.; Mackey, G. N., III; Bowling, D. R.; Passey, B. H.

    2017-12-01

    Terrestrial paleoclimate records are critically important for testing hypotheses of climate dynamics and verifying climate simulations. However, unlike their oceanic counterparts, terrestrial records are short, more commonly discontinuous, and require specific geographic conditions not necessarily ideal for proposed questions (e.g., speleothem records must come from wherever a cave occurs). We instead utilize laminated soil carbonate rinds as a high resolution (100s yr) paleoclimate archive. Soil carbonate rinds can represent 10s-100s kyr, are apparently continuous over relevant timescales, maintain stratigraphic order, and are common in arid and semi-arid regions. We demonstrate the utility of this methodology at Torrey, Utah which is at the northern edge of the North American Monsoon (NAM). Sample rinds form on the bottom of large (≈1 m) boulders. The rinds are 0.5-2 cm thick and have visually and microscopically identifiable stratigraphy. Radiocarbon dates are in order and suggest a nearly constant growth rate from ≈40 ka to 3 ka, when the record ends. However, the pendants have significant pore space, so secondary carbonate has the potential to bias sample ages to be too young by 100s-1000s years. Precise sampling may be able to mitigate this bias. In spite of the potential secondary carbonate bias, δ13C and δ18O analyses show trends consistent with regional records. Secondary carbonate is therefore a concern, but apparently does not overpower the primary isotopic signals. A calibration study identified soil carbonate formation during the peak growing season (i.e., JAS, during the NAM), so we interpret our records as summer signals modulated by soil `memory' effects. The δ18O record has low variability (±0.5 ‰) but mimics regional NAM records, suggesting similar climate drivers as far north as Utah. The δ13C record shows some correlation with δ18O, which is reasonable given that the strength of the NAM can drive ecologic responses. However, the data

  7. Maailma esimene online-maakler teenindab ka eesti keeles / Romet Kreek

    Index Scriptorium Estoniae

    Kreek, Romet, 1972-

    2005-01-01

    Maailma esimene online-maaklerfirma E*Trade avas eestikeelse kauplemiskeskkonna, kuhu lähikuudel lisandub võimalus kaubelda ka Eesti aktsiatega. Tabel: E*Trade pakub konkurentsi kohalikele maakleritele. Kommenteerib Peeter Koppel. Vt. samas: Lauri Matsulevitsh. LHV konkurenti ei karda

  8. Damaška and the faces of international criminal justice

    NARCIS (Netherlands)

    Swart, B.

    2008-01-01

    Mirjan Damaška 's scholarly publications provide important insights for the analysis of systems of criminal justice at the international level. This is particularly true for his major book: The Faces of Justice and State Authority - A Comparative Approach to the Legal Process. The book develops

  9. Exposure to radon in the radon spa Niška Banja, Serbia

    International Nuclear Information System (INIS)

    Nikolov, J.; Todorovic, N.; Petrovic Pantic, T.; Forkapic, S.; Mrdja, D.; Bikit, I.; Krmar, M.; Veskovic, M.

    2012-01-01

    There is a well-known radon spa Niška Banja in south-east of Serbia. In Niška Banja spa there is a medical complex and radon is used for therapeutic purposes for many different diseases. This paper presents elevated radon levels in the Niška Banja spa. Indoor radon and radon in water activity concentration measurements in thermal pools and therapy rooms are presented. There are also results from gamma spectrometry measurements of soil, rock and therapy mud. A special attention is paid to the medical staff exposure to radon around thermal pools. The annual effective doses from radon for staff working around the thermal pools in Niška Banja spa are very high comparing to the maximum recommendation level. The maximal radon concentration of (22.90 ± 0.57) kBq m −3 was measured in the basement of the hotel-dispensary “Radon”. This hotel is settled on “bigar” rock – travertine, which has high content of 226 Ra.

  10. A role for icebergs in the 8.2 ka climate event

    NARCIS (Netherlands)

    Wiersma, A.P.; Jongma, J.I.

    2009-01-01

    We investigate the potential role of icebergs in the 8.2 ka climate event, using a coupled climate model equipped with an iceberg component. First, we evaluate the effect of a large iceberg discharge originating from the decaying Laurentide ice sheet on ocean circulation, compared to a release of an

  11. Muusikamaailm : "Passioon 2000" Stuttgardis. Ojai festivalilt. Boulez dirigeerib ka Edinburghis. Placido Domingo Helsingis / Priit Kuusk

    Index Scriptorium Estoniae

    Kuusk, Priit, 1938-

    2000-01-01

    Stuttgardi Rahvusvahelisel Bachi Akadeemia korraldataval Euroopa muusikafestivalil ettekandele tulevatest "tänapäevastest passioonidest". Ojai muusikafestivalist Jaapanis. P. Boulezi 75. sünnipäevale pühendatud kontserdisari "Boulez 2000" jõudis ka Edinburghi festivalile. P. Domingo kontserdist Helsingi olümpiastaadionil, K. Mattila kontserdist Helsingi Areenal

  12. Ettevõtja saab raha ka otse Brüsselist / Silva Männik

    Index Scriptorium Estoniae

    Männik, Silva, 1974-

    2004-01-01

    Lisaks mitmetele Eesti asutustele, mis alates sellest aastast EL-i struktuurifondide kaudu raha jagama hakkavad, on ettevõtjatel võimalik taotleda erinevate programmide kaudu raha ka otse EL-i eelarvest. Lisa: Otse saab raha taotleda mitmest programmist

  13. Efficient Aerobic Oxidation of Cyclohexane to KA Oil Catalyzed by Pt ...

    Indian Academy of Sciences (India)

    raw material for the manufacture of nylon 6 and nylon. 6, 6.1 Conventionally, the oxidation of cyclohexanol to ... reported to produce KA oil with 92% selectivity at a 25% cyclohexane conversion ratio, while Fe-MIL- ..... A remarkable advantage of the catalyst is that it can be used several times without any loss of activity.

  14. Dynamic optical fiber delivery of Ka-band packet transmissions for wireless access networks

    DEFF Research Database (Denmark)

    Rodríguez Páez, Juan Sebastián; Madsen, Peter; Tafur Monroy, Idelfonso

    2017-01-01

    A Reconfigurable Radio Access Unit is presented and experimentally demonstrated. In the unit, an optical switching system is set to dynamically deliver different packets to different points in the network. The packets are transmitted wirelesslty on the Ka-band (26–40 GHz), achieving BER values...

  15. Efficient Aerobic Oxidation of Cyclohexane to KA Oil Catalyzed by Pt ...

    Indian Academy of Sciences (India)

    Efficient Aerobic Oxidation of Cyclohexane to KA Oil Catalyzed by. Pt-Sn supported on MWCNTs. MOHAMMAD SADIQa,∗, MUHAMMAD ALIa, RASHID IQBALa, KHALID SAEEDa,. AIMAL KHANa, MUHAMMAD NAVEED UMARa and HAROON UR RASHIDb. aDepartment of Chemistry, University of Malakand, Chakdara, Dir ...

  16. Ka-Band PAA for Satellite Telemetry System for RLVs & Aircraft Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed antenna is a Radial-Waveguide Array (RWA) that will operate at Ka band, 25.5-27.5 GHz in transmit and receive for left-hand, right-hand. This Phase I...

  17. Geological conditions of origin of the Potočka zijalka cave

    Directory of Open Access Journals (Sweden)

    Stanko Buser

    2002-12-01

    Full Text Available In the Potočka zijalka cave on Mt. Ol{eva in Southern Karavanke during excavation of cave sediments of Würm age that contain cultural remains of the Cromagnon Man also large amounts of gravel were before the Badenian transgression, from the Central Alps during Miocene.

  18. Kodumaine allhange jõuab ka siinsete tootjateni / Ain Alvela ; kommenteerinud Ardo Kalda

    Index Scriptorium Estoniae

    Alvela, Ain, 1967-

    2015-01-01

    Metallitööfirma OÜ Haapsalu Metal on Rootsi kapitalile kuuluv allhanketellimustele spetsialiseerunud ettevõte, mille tootevalikusse kuuluvad näiteks ka Eesti ettevõtete tellimusel valminud saetööstusseadmed, kalatööstuse automatiseeritud tootmisliinid, metsatraktorite keskliigendid, turbakaevandamiseks mõeldud masinate ümberseadistamine ning võistlusautode detailid

  19. Ka-Band High-Rate Telemetry System Upgrade for the NASA Deep Space Network

    Science.gov (United States)

    LaBelle, Remi; Bernardo, Abner; Bowen, James; Britcliffe, Michael; Bucknam, Neil; Link, Christopher; Long, Ezra; Manalo, Leslie; O'Dea, James A.; Rochblatt, David; hide

    2009-01-01

    The NASA Deep Space Network (DSN) has a new requirement to support high-data-rate Category A (Cat A) missions (within 2 million kilometers of Earth) with simultaneous S-band uplink, S-band downlink and Ka-band downlink. The S-band links are required for traditional TT&C (Telemetry, Tracking, and Command) support to the spacecraft, while the Ka-band link is intended for high-data-rate science returns. The new Ka-band system combines the use of proven DSN cryogenic designs, for low system temperature, and high data rate capability using commercial telemetry receivers. The initial Cat A support is required for the James Webb Space Telescope (JWST) in 2013 and possibly other missions. The upgrade has been implemented into 3 different 34-meter Beam Waveguide (BWG) antennas in the DSN, one at each of the complexes in Canberra (Australia), Goldstone (California) and Madrid (Spain). System test data is presented to show that the requirements were met and the DSN is ready for Cat A Ka-band operational support.

  20. An integrated Ka/Ku-band payload for personal, mobile and private business communications

    Science.gov (United States)

    Hayes, Edward J.; Keelty, J. Malcolm

    1991-01-01

    The Canadian Department of Communications has been studying options for a government-sponsored demonstration payload to be launched before the end of the century. A summary of the proposed system concepts and network architectures for providing an advanced private business network service at Ku-band and personal and mobile communications at Ka-band is presented. The system aspects addressed include coverage patterns, traffic capacity, and grade of service, multiple access options as well as special problems, such as Doppler in mobile applications. Earth terminal types and the advanced payload concept proposed in a feasibility study for the demonstration mission are described. This concept is a combined Ka-band/Ku-band payload which incorporates a number of advanced satellite technologies including a group demodulator to convert single-channel-per-carrier frequency division multiple access uplink signals to a time division multiplex downlink, on-board signal regeneration, and baseband switching to support packet switched data operation. The on-board processing capability of the payload provides a hubless VSAT architecture which permits single-hop full mesh interconnectivity. The Ka-band and Ku-band portions of the payload are fully integrated through an on-board switch, thereby providing the capability for fully integrated services, such as using the Ku-band VSAT terminals as gateway stations for the Ka-band personal and mobile communications services.

  1. A North Atlantic tephrostratigraphical framework for 130-60 ka b2k

    DEFF Research Database (Denmark)

    Siwan M., Davis; Peter M., Abbott; Rhian H., Meara

    2014-01-01

    Building chronological frameworks for proxy sequences spanning 130e60 ka b2k is plagued by difficulties and uncertainties. Recent developments in the North Atlantic region, however, affirm the potential offered by tephrochronology and specifically the search for cryptotephra. Here we review...

  2. pKa Determination of water-soluble calix[4]arenes

    NARCIS (Netherlands)

    Shinkai, Seiji; Araki, Koji; Grootenhuis, P.D.J.; Reinhoudt, David

    1991-01-01

    Neutral, water-soluble 5,11,17,23-tetrakis[bis-(2-hydroxyethyl)aminosulphonyl]calix[4]arene-25,26,27,28-tetraol and 5,11,17,23-tetranitrocalix[4]arene-25,26,27,28-tetraol have been synthesized and the pKa values of the OH groups determined in an aqueous system.

  3. Design considerations on a sparse array antenna for Ka-band spaceborne SAR applications

    NARCIS (Netherlands)

    Jacobs, S.; Bekers, D.; Monni, S.; Otten, M.; Van Rossum, W.; Gerini, G.; Germani, C.; Fortini, D.; Toso, G.

    2015-01-01

    This contribution addresses the problem of designing a sparse active array antenna for spaceborne SAR applications at Ka-band. The main driver for the design is limiting the recurring manufacturing costs associated to the number of active modules, while preserving main performance and insuring a

  4. Liha tootmine : [2000-2004 Eestis liikide kaupa, s.h. ka kitseliha] / Matti Piirsalu

    Index Scriptorium Estoniae

    Piirsalu, Matti, 1947-

    2005-01-01

    Ilmunud ka: Agriculture and the development of rural life : overview 2004/2005. - Tallinn, 2005, lk. 20-22. 2004. a. vähenes sealihatoodang 3%, lamba- ja kitseliha toodang 25%.Veise- ja linnuliha tootmine kasvas kubki 5%. Tabel: Lihatoodang aastatel 2000-2004

  5. Mahepõllumajandus : [1999-2004, ka ökomärgist] / Peeter Prass

    Index Scriptorium Estoniae

    Prass, Peeter

    2005-01-01

    Ilmunud ka: Agriculture and the development of rural life : overview 2004/2005. - Tallinn, 2005, lk.43-45. Hinnanguliselt moodustas 2004. a. mahepõllundusega hõivatud maa üldisest põllumajandusmaast alla 5%. Piimalehmadest olid maheloomad veidi üle 2%. Diagrammid

  6. A novel miniature superconducting converter for 1 kA magnets

    NARCIS (Netherlands)

    Chevtchenko, O.A.; Krooshoop, Hendrikus J.G.; ten Kate, Herman H.J.; Fedorovsky, Michael A.

    1996-01-01

    A miniature full-wave converter to control the current of a superconducting magnet is developed and tested in our institutes. Typical design values of the device are: AC voltage of 35 V, current of 7 A, and frequency 50-60 Hz; DC voltage o f f 0.2 V, and current of * 1 kA. An efficiency is better

  7. Kolem Patočkovy politiky duchovního člověka

    Czech Academy of Sciences Publication Activity Database

    Chvatík, Ivan

    2015-01-01

    Roč. 70, č. 6 (2015), s. 458-464 ISSN 0046-385X Institutional support: RVO:67985955 Keywords : philosophy * upswing to the political * meaning * history * solidarity of the shaken * Patočka Subject RIV: AA - Philosophy ; Religion

  8. Current star formation in early-type galaxies and the K+A phenomenon

    OpenAIRE

    Helmboldt, J. F.; Walterbos, R. A. M.; Goto, T.

    2008-01-01

    We present the results of an effort to identify and study a sample of the likely progenitors of elliptical (E) and lenticular (S0) K+A galaxies. To achieve this, we have searched a sample ~11,000 nearby (m(r)

  9. Ac loss measurements on a superconducting transformer for a 25 kA superconducting rectifier

    NARCIS (Netherlands)

    ten Kate, Herman H.J.; Mulders, J.M.; de Reuver, J.L.; van de Klundert, L.J.M.

    1984-01-01

    Ac loss measurements have been performed on a superconducting transformer. The transformer is a part of a 25 kA thermally switched superconducting rectifier operating at a frequency of 0.1 Hz. The loss measurements have been automatized by means of a microcomputer sampling four relevant signals and

  10. Kierunek E-książka.Od teorii do praktyki

    OpenAIRE

    Biblioteka Uniwersytetu Łódzkiego

    2012-01-01

    Zapis dźwiękowy ze spotkania przebiegającego pod hasłem "Kierunek E-książka" organizowanego przez Bibliotekę UŁ oraz Wydawnictwo UŁ w ramach Międzynarodowego Tygodnia Książki Elektronicznej.

  11. The linguistic authoritativeness of Monyala ka pedi as a principle of ...

    African Journals Online (AJOL)

    The purpose of this article is to argue that the Basotho principle monyala ka pedi effectively reflects that bohadi is not paid, but given, as an expression of gratitude and as a symbol of respect for culture. We argue that African ontology becomes more prominent in bohadi negotiations. Therefore, it is unthinkable that the ...

  12. 350 ka Organic 13 C record of the monsoon variability on the Oman ...

    Indian Academy of Sciences (India)

    The stable isotope compositions of sedimentary organic carbon and content of organic carbon for sediment cores recovered at two sites (sites 724C and 725C) during Ocean Drilling Program (ODP) Leg. 117 on the Oman continental margin are used to document variability of the monsoon winds for the past 350 ka. Although ...

  13. Internetiside VoIP sobib ka ettevõtteile / Valdur Laid

    Index Scriptorium Estoniae

    Laid, Valdur, 1969-

    2005-01-01

    Ilmunud ka: Delovõje Vedomosti 8. juuni lk. 19. Kommunikatsiooni liikumisest internetti ehk IP-võrku ning selle võimalustest ettevõtjaile. Vt. samas: Väikefirmade IP-lahendus jõuab aasta lõpus massturule

  14. Results from Two Years of Ka-Band Propagation Characterization at Svalbard, Norway

    Science.gov (United States)

    Nessel, James A.; Morse, Jacquelynne Rose; Zemba, Michael

    2014-01-01

    Over the several years, NASA plans to launch several earth science missions which are expected to achieve data throughputs of 5-40 terabits per day transmitted from low earth orbiting spacecraft to ground stations. The current S-band and X-band frequency allocations in use by NASA, however, are incapable of supporting the data rates required to meet this demand. As such, NASA is in the planning stages to upgrade its existing Near Earth Network (NEN) Polar ground stations to support Ka-band (25.5-27 GHz) operations. Consequently, it becomes imperative that characterization of propagation effects at these NEN sites is conducted to determine expected system performance, particularly at low elevation angles ((is) less than 10 deg) where spacecraft signal acquisition typically occurs. Since May 2011, NASA Glenn Research Center has installed and operated a Ka-band radiometer at the NEN site located in Svalbard, Norway. The Ka-band radiometer monitors the water vapor line, as well as 6 frequencies around 26.5 GHz at multiple elevation angles: 45 deg, 20 deg, and 10 deg. Two year data collection results indicate comparable performance to previously characterized northern latitude sites in the United States, i.e., Fairbanks, Alaska. It is observed that cloud cover at the Svalbard site remains the dominant loss mechanism for Ka-band links, resulting in a margin requirement of 4.1 dB to maintain link availability of 99% at 10 deg elevation.

  15. Kas Roger Federer suudab Rafael Nadali alistada ka Pariisis? / Maarja Värv

    Index Scriptorium Estoniae

    Värv, Maarja

    2007-01-01

    Prantsusmaa lahtiste tennisemeistrivõistluste eel on paljude jaoks suurim küsimus, kas maailma esinumber Roger Federer suudab lõpuks võita ka Roland Garros' esikoha ning astuda sammu suure slämmi suunas. Vt. samas: Maret Ani põhiturniirile ei pääsenud

  16. Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study

    Directory of Open Access Journals (Sweden)

    Patronov Atanas

    2012-08-01

    Full Text Available Abstract Background HLA-DPs are class II MHC proteins mediating immune responses to many diseases. Peptides bind MHC class II proteins in the acidic environment within endosomes. Acidic pH markedly elevates association rate constants but dissociation rates are almost unchanged in the pH range 5.0 – 7.0. This pH-driven effect can be explained by the protonation/deprotonation states of Histidine, whose imidazole has a pKa of 6.0. At pH 5.0, imidazole ring is protonated, making Histidine positively charged and very hydrophilic, while at pH 7.0 imidazole is unprotonated, making Histidine less hydrophilic. We develop here a method to predict peptide binding to the four most frequent HLA-DP proteins: DP1, DP41, DP42 and DP5, using a molecular docking protocol. Dockings to virtual combinatorial peptide libraries were performed at pH 5.0 and pH 7.0. Results The X-ray structure of the peptide – HLA-DP2 protein complex was used as a starting template to model by homology the structure of the four DP proteins. The resulting models were used to produce virtual combinatorial peptide libraries constructed using the single amino acid substitution (SAAS principle. Peptides were docked into the DP binding site using AutoDock at pH 5.0 and pH 7.0. The resulting scores were normalized and used to generate Docking Score-based Quantitative Matrices (DS-QMs. The predictive ability of these QMs was tested using an external test set of 484 known DP binders. They were also compared to existing servers for DP binding prediction. The models derived at pH 5.0 predict better than those derived at pH 7.0 and showed significantly improved predictions for three of the four DP proteins, when compared to the existing servers. They are able to recognize 50% of the known binders in the top 5% of predicted peptides. Conclusions The higher predictive ability of DS-QMs derived at pH 5.0 may be rationalised by the additional hydrogen bond formed between the backbone carbonyl

  17. Morphotectonic control of the Białka drainage basin (Central Carpathians: Insights from DEM and morphometric analysis.

    Directory of Open Access Journals (Sweden)

    Wołosiewicz Bartosz

    2016-06-01

    Full Text Available The Białka river valley is directly related to a deep NNW-SSE oriented fault zone. According to the results of previous morphometric analyses, the Białka drainage basin is one of the most tectonically active zones in the Central Carpathians. It is also located within an area of high seismic activity.

  18. A 25 kA, 2T, 78 kJ, 52 litre superconducting test coil. Strength calculations and construction

    NARCIS (Netherlands)

    ten Kate, Herman H.J.; Holtslag, A.H.M.; Knoben, J.; Steffens, H.A.; van de Klundert, L.J.M.

    1983-01-01

    Within the scope of our research program for a 25 kA superconducting rectifier, we have built a 25 kA s.c. coil being a single layer solenoid with a bore of 0.45 meter and a volume of 52 litre. The starting point for the design was to avoid any metallic structural material. This unique coil consists

  19. Risk Assessment of Mineral Groundwater Near Rogaška Slatina

    Science.gov (United States)

    Trcek, Branka; Leis, Albrecht

    2017-10-01

    Groundwater resources of mineral and thermo-mineral water are invaluable for planning a sustainable spatial and economic development of the Rogaška Slatina area, which requires a protection of this natural heritage. Numerous previous investigations of Rogaška groundwaters were subjects to balneology and to demands for larger exploitation quantities, that is why information are missing that are essential for definition of the Rogaška fractured aquifer system with mineral and thermo-mineral water and for its protection. The isotopic investigations of groundwaters stored in the Rogaška Slatina fractured aquifer system were performed aiming at answering open questions on the groundwater recharge and dynamics, on connections between different types of aquifers and on solute transport. Environmental isotopes 2H, 18O, 3H, 13C of dissolved inorganic carbon and 14C were analysed in mineral, thermo-mineral and spring waters. Results indicated the source and mechanism of groundwater recharge, its renewability, a transit time distribution, hydraulic interrelationships, the groundwater origin and its evolution due to effects of water-rock interaction. The mean residence time estimates of mineral and thermo- mineral water in the aquifer are between 3400 and 14000 years. On the other hand, the mixing processes between younger and older waters or mineral and spring waters are reflected as well as waters that infiltrated predominantly after the 1960s. These suggest the vulnerability of the research systems to man-made impacts. The presented results coupled with available information on a physical hydrogeology and water chemistry asses the optimal balance between the environmental protection and economic use of mineral water resources in the study area. They are essential for the protection strategy development of mineral and thermo-mineral water in the Rogaška Slatina area bringing together the state administration and local authorities and stakeholders.

  20. Benjamin Constant. Libertad, democracia y pluralismo

    Directory of Open Access Journals (Sweden)

    Claudia Patricia Fonnegra Osorio

    2015-01-01

    Full Text Available A partir de un enfoque interpretativo, en este artículo se aborda por qué para Benjamin Constant la democracia solo puede darse en donde se presenta una relación necesaria entre la libertad entendida como defensa de los derechos individuales —libertad como independencia o negativa— y la libertad concebida como principio de la participación pública —libertad como autonomía o positiva—. Asimismo, se presenta la importancia que atribuye el autor a las tradiciones que dan vida a la configuración del universo cultural de un pueblo. Se concluye que en la obra de Constant se encuentra una clara defensa del Estado de derecho y del pluralismo, la cual puede iluminar la comprensión de los problemas políticos de la contemporaneidad.

  1. Supersymmetric Dark Matter with a Cosmological Constant

    CERN Document Server

    Wells, J D

    1998-01-01

    Recent measurements of cosmological parameters from the microwave background radiation, type Ia supernovae, and the age of globular clusters help determine the relic matter density in the universe. It is first shown with mild cosmological assumptions that the relic matter density satisfies $\\Omega_M h^2 < 0.6$ independent of the cosmological constant and independent of the SNIa data. Including the SNIa data, the constraint becomes $\\Omega_M h^2 < 0.35$. This result is then applied to supersymmetric models motivated by generic features in supergravity mediated supersymmetry breaking. The result is an upper bound on gaugino masses within reach of the LHC and a 1.5 TeV lepton collider. Thus, cosmological considerations are beginning to limit the supersymmetric mass spectra in the experimentally verifiable range without recourse to finetuning arguments, and without assuming a zero cosmological constant.

  2. Understanding fine structure constants and three generations

    International Nuclear Information System (INIS)

    Bennett, D.L.; Nielsen, H.B.

    1988-02-01

    We put forward a model inspired by random dynamics that relates the smallness of the gauge coupling constants to the number of generations being 'large'. The new element in the present version of our model is the appearance of a free parameter χ that is a measure of the (presumably relatively minor) importance of a term in the plaquette action proportional to the trace in the (1/6, 2, 3) representation of the Standard Model. Calling N gen the number of generations, the sets of allowed (N gen , χN gen )-pairs obtained by imposing the three measured coupling constant values of the Standard Model form three lines. In addition to finding that these lines cross at a single point (as needed for a consistent fit), the intersection occurs with surprising accuracy at the integer N gen = 3 (thereby predicting exactly three generations). It is also encouraging that the parameter χ turns out to be small and positive as expected. (orig.)

  3. Parametrised Constants and Replication for Spatial Mobility

    DEFF Research Database (Denmark)

    Hüttel, Hans; Haagensen, Bjørn

    2009-01-01

    and the calculus of mobile ambients. Here, processes are located at sites and can migrate between them. In this paper we say that an encoding is local if it does not introduce extra migration. We first study this property for the distributed π-calculus where locations can be dynamically created. If the set...... of reachable sites is static an encoding exists, but we also show that parametrised constants can not be encoded in the full calculus. The locality requirement supplements widely accepted encoding criteria. It appears to be a natural property in spatial calculi where links and locations can fail. The versions...... of the distributed π-calculus with parametrised constants and replication are incomparable. On the other hand, we shall see that there exists a simple encoding of recursion in mobile ambients....

  4. The cosmological constant and the pulsating universe.

    Science.gov (United States)

    Tangherlini, F. R.

    1991-02-01

    The author's recently described method for obtaining an upper bound for a recollapsing, closed universe with a positive cosmological constant is extended to obtain a lower bound for a negative Λ. The bounds are readily generalized to cosmologies of higher dimensions. As the radius of recollapse becomes infinite and the metric Minkowskian, the bounds shrink to zero. It is inferred that in a special relativistic theory, the cosmological term should vanish. A special relativistic proof of this is given based on requiring invariance under the "tilting" of the spacelike hypersurface. Some of the remaining problems and possible successes of the pulsating universe are also described. In the appendix, the well-known instability of the Einstein universe is briefly treated by the method used here to obtain bounds on the cosmological constant.

  5. Benjamin Constant. Libertad, democracia y pluralismo

    Directory of Open Access Journals (Sweden)

    Claudia Patricia Fonnegra Osorio

    2015-12-01

    Full Text Available A partir de un enfoque interpretativo, en este artículo se aborda por qué para Benjamin Constant la democracia solo puede darse en donde se presenta una relación necesaria entre la libertad entendida como defensa de los derechos individuales -libertad como independencia o negativa- y la libertad concebida como principio de la participación pública -libertad como autonomía o positiva-. Asimismo, se presenta la importancia que atribuye el autor a las tradiciones que dan vida a la configuración del universo cultural de un pueblo. Se concluye que en la obra de Constant se encuentra una clara defensa del Estado de derecho y del pluralismo, la cual puede iluminar la comprensión de los problemas políticos de la contemporaneidad.

  6. Constant force extensional rheometry of polymer solutions

    DEFF Research Database (Denmark)

    Szabo, Peter; McKinley, Gareth H.; Clasen, Christian

    2012-01-01

    We revisit the rapid stretching of a liquid filament under the action of a constant imposed tensile force, a problem which was first considered by Matta and Tytus [J. Non-Newton. Fluid Mech. 35 (1990) 215–229]. A liquid bridge formed from a viscous Newtonian fluid or from a dilute polymer solution...... is first established between two cylindrical disks. The upper disk is held fixed and may be connected to a force transducer while the lower cylinder falls due to gravity. By varying the mass of the falling cylinder and measuring its resulting acceleration, the viscoelastic nature of the elongating fluid...... filament can be probed. In particular, we show that with this constant force pull (CFP) technique it is possible to readily impose very large material strains and strain rates so that the maximum extensibility of the polymer molecules may be quantified. This unique characteristic of the experiment...

  7. Bardeen-Cooper-Schrieffer universal constants generalized

    International Nuclear Information System (INIS)

    Hazaimeh, A.H.

    1992-01-01

    Weak- and moderate-coupling BCS superconductivity theory is shown to admit a more general T c formula, wherein T c approaches zero somewhat faster than with the familiar BCS T c -formula. This theory leads to a departure from the universal behavior of the gap-to-T c ratio and is consistent with some recent empirical values for exotic superconductors. This ratio is smaller than the universal BCS value of 3.53 in a way which is consistent with weak electron-boson coupling. Similarly, other universal constants related to specific heat and critical magnetic field are modified. In this dissertation, The author investigates the latter constants for weak-coupling and moderate-coupling and carry out detailed comparisons with experimental data for the cuprates and with the corresponding predictions of strong-coupling theory. This effort is to elucidate the nature of these superconductors with regards to coupling strength within an electron-boson mechanism

  8. f(R) constant-roll inflation

    Energy Technology Data Exchange (ETDEWEB)

    Motohashi, Hayato [Universidad de Valencia-CSIC, Instituto de Fisica Corpuscular (IFIC), Valencia (Spain); Starobinsky, Alexei A. [L.D. Landau Institute for Theoretical Physics, RAS, Moscow (Russian Federation); National Research University Higher School of Economics, Moscow (Russian Federation)

    2017-08-15

    The previously introduced class of two-parametric phenomenological inflationary models in general relativity in which the slow-roll assumption is replaced by the more general, constant-roll condition is generalized to the case of f(R) gravity. A simple constant-roll condition is defined in the original Jordan frame, and exact expressions for a scalaron potential in the Einstein frame, for a function f(R) (in the parametric form) and for inflationary dynamics are obtained. The region of the model parameters permitted by the latest observational constraints on the scalar spectral index and the tensor-to-scalar ratio of primordial metric perturbations generated during inflation is determined. (orig.)

  9. Bounds on Gromov hyperbolicity constant in graphs

    Indian Academy of Sciences (India)

    is a topic of recent and increasing interest in graph theory; see, for instance [3–5, 8–10,. 15–17, 18–20, 22, 23, 25–27]. The theory ..... the Laplace matrix μ∗, we have δ(G) ≤ n(μ∗ − d0) μ∗ . Proof. ..... [27] Tourís E, Graphs and Gromov hyperbolicity of non-constant negatively curved surfaces,. J. Math. Anal. Appl. 380 (2011) ...

  10. Simulated annealing with constant thermodynamic speed

    International Nuclear Information System (INIS)

    Salamon, P.; Ruppeiner, G.; Liao, L.; Pedersen, J.

    1987-01-01

    Arguments are presented to the effect that the optimal annealing schedule for simulated annealing proceeds with constant thermodynamic speed, i.e., with dT/dt = -(v T)/(ε-√C), where T is the temperature, ε- is the relaxation time, C ist the heat capacity, t is the time, and v is the thermodynamic speed. Experimental results consistent with this conjecture are presented from simulated annealing on graph partitioning problems. (orig.)

  11. Electromagnetic corrections to pseudoscalar decay constants

    Energy Technology Data Exchange (ETDEWEB)

    Glaessle, Benjamin Simon

    2017-03-06

    First principles Lattice quantum chromodynamics (LQCD) calculations enable the determination of low energy hadronic amplitudes. Precision LQCD calculations with relative errors smaller than approximately 1% require the inclusion of electromagnetic effects. We demonstrate that including (quenched) quantum electrodynamics effects in the LQCD calculation effects the values obtained for pseudoscalar decay constants in the per mille range. The importance of systematic effects, including finite volume effects and the charge dependence of renormalization and improvement coefficients, is highlighted.

  12. The cosmological constant and galaxy formation

    International Nuclear Information System (INIS)

    Durrer, R.; Straumann, N.

    1990-01-01

    We derive a restrictive upper bound for the cosmological constant from the requirement that the formation of galaxies in a cold dark matter scenario should be compatible with the present observational limits for possible anisotropies of the microwave background. If the total density parameter Ω (including the vacuum energy) is equal to the critical value (Ω = 1), we find for the contribution Ω V of the vacuum energy density the conservative bound Ω V <0.7. (author)

  13. A Memorandum Report: Physical Constants of MCE

    Science.gov (United States)

    2016-08-01

    the density and surface tension. In effect, this constant is a corrected molar volume = P = MS / = S / where P = Parachor M = molar volume ...Clapeyron equation Surface tension Viscosity Freezing point GA 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER...to the Figure will show. The volatility of the MCE was calculated from the calculated values of vapor pressure by the ideal gas law and the values

  14. Feature Binding in Zebrafish

    Directory of Open Access Journals (Sweden)

    P Neri

    2012-07-01

    Full Text Available Binding operations are primarily ascribed to cortex or similarly complex avian structures. My experiments show that the zebrafish, a lower vertebrate lacking cortex, supports visual feature binding of form and motion for the purpose of social behavior. These results challenge the notion that feature binding may require highly evolved neural structures and demonstrate that the nervous system of lower vertebrates can afford unexpectedly complex computations.

  15. Emergent gravity in spaces of constant curvature

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Orlando; Haddad, Matthew [Department of Physics, University of Miami,1320 Campo Sano Ave, Coral Gables, FL 33146 (United States)

    2017-03-07

    In physical theories where the energy (action) is localized near a submanifold of a constant curvature space, there is a universal expression for the energy (or the action). We derive a multipole expansion for the energy that has a finite number of terms, and depends on intrinsic geometric invariants of the submanifold and extrinsic invariants of the embedding of the submanifold. This is the second of a pair of articles in which we try to develop a theory of emergent gravity arising from the embedding of a submanifold into an ambient space equipped with a quantum field theory. Our theoretical method requires a generalization of a formula due to by Hermann Weyl. While the first paper discussed the framework in Euclidean (Minkowski) space, here we discuss how this framework generalizes to spaces of constant sectional curvature. We focus primarily on anti de Sitter space. We then discuss how such a theory can give rise to a cosmological constant and Planck mass that are within reasonable bounds of the experimental values.

  16. Emergent gravity in spaces of constant curvature

    Science.gov (United States)

    Alvarez, Orlando; Haddad, Matthew

    2017-03-01

    In physical theories where the energy (action) is localized near a submanifold of a constant curvature space, there is a universal expression for the energy (or the action). We derive a multipole expansion for the energy that has a finite number of terms, and depends on intrinsic geometric invariants of the submanifold and extrinsic invariants of the embedding of the submanifold. This is the second of a pair of articles in which we try to develop a theory of emergent gravity arising from the embedding of a submanifold into an ambient space equipped with a quantum field theory. Our theoretical method requires a generalization of a formula due to by Hermann Weyl. While the first paper discussed the framework in Euclidean (Minkowski) space, here we discuss how this framework generalizes to spaces of constant sectional curvature. We focus primarily on anti de Sitter space. We then discuss how such a theory can give rise to a cosmological constant and Planck mass that are within reasonable bounds of the experimental values.

  17. Constant load and constant volume response of municipal solid waste in simple shear.

    Science.gov (United States)

    Zekkos, Dimitrios; Fei, Xunchang

    2017-05-01

    Constant load and constant volume simple shear testing was conducted on relatively fresh municipal solid waste (MSW) from two landfills in the United States, one in Michigan and a second in Texas, at respective natural moisture content below field capacity. The results were assessed in terms of two failure strain criteria, at 10% and 30% shear strain, and two interpretations of effective friction angle. Overall, friction angle obtained assuming that the failure plane is horizontal and at 10% shear strain resulted in a conservative estimation of shear strength of MSW. Comparisons between constant volume and constant load simple shear testing results indicated significant differences in the shear response of MSW with the shear resistance in constant volume being lower than the shear resistance in constant load. The majority of specimens were nearly uncompacted during specimen preparation to reproduce the state of MSW in bioreactor landfills or in uncontrolled waste dumps. The specimens had identical percentage of waste. The results of these tests suggest the possibility of significantly lower shear strength of MSW in bioreactor landfills where waste is placed with low compaction effort and constant volume, i.e., "undrained", conditions may occur. Compacted MSW specimens resulted in shear strength parameters that are higher than uncompacted specimens and closer to values reported in the literature. However, the normalized undrained shear strength in simple shear for uncompacted and compacted MSW was still higher than the normalized undrained shear strength reported in the literature for clayey and silty soils. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. DNS & Bind Cookbook

    CERN Document Server

    Liu, Cricket

    2011-01-01

    The DNS & BIND Cookbook presents solutions to the many problems faced by network administrators responsible for a name server. Following O'Reilly's popular problem-and-solution cookbook format, this title is an indispensable companion to DNS & BIND, 4th Edition, the definitive guide to the critical task of name server administration. The cookbook contains dozens of code recipes showing solutions to everyday problems, ranging from simple questions, like, "How do I get BIND?" to more advanced topics like providing name service for IPv6 addresses. It's full of BIND configuration files that yo

  19. Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives.

    Science.gov (United States)

    Remko, Milan; Swart, Marcel; Bickelhaupt, F Matthias

    2006-03-15

    moxonidine exhibits the lowest basicity in water. At pH = 7.4 only about 50% of this drug exists in ionized form. The available experimental partition coefficients of compounds investigated are best reproduced by the CLOGP method. The computed partition coefficients varied between -1.80 (agmatine) and 5.35 (LNP_911) (CLOGP). Clonidine, moxonidine, and rilmenidine are moderately lipophilic compounds with lipophilicities between these two extreme values. The computed solubilities (about 0.1-4 g/L) show that the imidazoline and oxazoline derivatives studied have very low water solubility. The analysis of molecular descriptors defined by Lipinski has shown that most of the compounds studied obey 'rule of five'. Amiloride and agmatine 'outlets' exhibit also the lowest absorption. Therefore, in the early stages of the design of ligands acting on imidazoline binding sites, it is becoming more important to determine the pKa, lipophilicity, water solubility, polar surface area, absorption, and other physicochemical properties associated with a drug, before synthetic work is undertaken, with the aim of avoiding the synthesis of compounds that are predicted to have poor biopharmaceutical characteristics.

  20. Binding to thermolysin of phenolate-containing inhibitors necessitates a revised mechanism of catalysis.

    Science.gov (United States)

    Mock, W L; Aksamawati, M

    1994-08-15

    Competitive inhibition as a function of pH for the metalloendoprotease thermolysin by derivatives of L-alpha-(2-hydroxyphenyl)benzenepropanoyl-L- tryptophanylglycylglycine exhibits a diagnostic bell shape. Binding is maximal between two pKa values: on the acidic limb the apparent Ki value is regulated by an unchanging enzymic ionization (pKa 5.3) which is also seen in the substrate-hydrolysis kinetics (kcat/Km), whereas the alkaline limb for inhibition varies and depends specifically on the pKa of the phenolic group in the inhibitor. Although it should be the phenolate form of the inhibitor that co-ordinates more efficiently to the active-site Zn2+, the apparent Ki shifts from pH-independent at pH values immediately below the inhibitor's pKa to progressively weaker binding at higher pH. This is explained by an anomalous acidity for the exchangeable solvent molecule that is attached to enzymic Zn2+ in the absence of substrate or inhibitor. Since OH- cannot be displaced from the enzyme as readily as H2O, a compensating pKa of 5.3 possessed by Zn(2+)-bound water rationalizes the binding characteristics, yielding the level pH profile exhibited at intermediate pH values. Recognition of the implicit heightened Lewis acidity of the metal ion in thermolysin leads to a revision of the mechanism of catalysis. The substrate amide bond becomes activated for hydrolysis by carbonyl-group co-ordination to the especially acidic Zn2+ ion (completely displacing the H2O/OH- species otherwise bound). The imidazole group of enzymic residue His-231, also discerned in the pH profile for kcat/Km from its pKa of 8, provides general-base assistance for hydration of the activated scissile linkage in the first committed step of catalysis. Additional evidence from inhibition patterns shows how substrate-binding energy may be employed in this scheme to promote hydrolysis of peptides by thermolysin.