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Sample records for constrained acidic alpha-amino

  1. Methylation of alpha-amino acids and derivatives using trimethylsilyldiazomethane.

    PubMed

    Leggio, Antonella; Liguori, Angelo; Perri, Francesca; Siciliano, Carlo; Viscomi, Maria Caterina

    2009-03-01

    A study of the methylation of N-nosyl-alpha-amino acids and derivatives with trimethylsilyldiazomethane is here reported. Trimethylsilyldiazomethane allows the chemo-specific methylation of the carboxyl function of N-nosyl-alpha-amino acids in high yields and purity. This method provides a practical route to N-methyl-alpha-amino acids avoiding the use of the more toxic and explosive diazomethane. This simple and safe methylation methodology of alpha-amino acids and derivatives is not limited to organic synthesis and involves the use of a commercially available reagent as well. PMID:19207464

  2. Synthesis of alpha-amino acids

    DOEpatents

    Davis, J.W. Jr.

    1983-01-25

    A method is described for synthesizing alpha amino acids proceeding through novel intermediates of the formulas: R[sub 1]R[sub 2]C(OSOCl)CN, R[sub 1]R[sub 2]C(Cl)CN and [R[sub 1]R[sub 2]C(CN)O][sub 2]SO wherein R[sub 1] and R[sub 2] are each selected from hydrogen monovalent substituted and unsubstituted hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art. No Drawings

  3. A preparation of N-Fmoc-N-methyl-alpha-amino acids and N-nosyl-N-methyl-alpha-amino acids.

    PubMed

    Di Gioia, Maria Luisa; Leggio, Antonella; Liguori, Angelo; Perri, Francesca; Siciliano, Carlo; Viscomi, Maria Caterina

    2010-01-01

    A convenient route for the synthesis of lipophilic N-Fmoc-N-methyl-alpha-amino acids and N-nosyl-N-methyl-alpha-amino acids, interesting building blocks to be used for the preparation of N-methylated peptides, is presented. Both nosyl- and Fmoc-protected monomers are accessible, so these compounds can be used in solution as well as in solid phase peptide synthesis. The methodology is based on the use of benzhydryl group to protect temporarily the carboxyl function of N-nosyl-alpha-amino acids and on the subsequent methylation of the N-nosyl-alpha-amino acid benzhydryl esters with diazomethane. The benzhydryl esters offer several beneficial features such as simple preparation, stability to methylation and selective deprotection under mild conditions. The overall procedure is highly efficient in that the adopted conditions keep the chiral integrity of amino acid precursors and the process does not require chromatographic purification of the methylated products. PMID:19052843

  4. Polycondensation of alpha-amino acids by pyrosulfuric acid

    NASA Technical Reports Server (NTRS)

    Denes, F.; Fox, S. W.

    1976-01-01

    The thermal polycondensation of amino acids common to protein is promoted at 80 deg C by pyrosulfuric acid. This is in contrast to the noncondensation at 100 deg C in the presence of concentrated sulfuric acid. These results are in accord with an anhydride mechanism, as proposed earlier for copolycondensation promoted by polyphosphoric acid. The amino acid composition, molecular weight, near-homogeneity, and infrared absorption of the polymer formed are described. The potential significance of planetary pyrosulfuric acid is discussed.

  5. Activity of L-alpha-amino acids at the promiscuous goldfish odorant receptor 5.24.

    PubMed

    Christiansen, Bolette; Wellendorph, Petrine; Bruner-Osborne, Hans

    2006-04-24

    The goldfish odorant receptor 5.24 is a member of family C of G protein-coupled receptors and is closely related to the human receptor GPRC6A. Receptor 5.24 has previously been shown to have binding affinity for L-alpha-amino acids, especially the basic amino acids arginine and lysine. Here we report the agonist activities of the 20 proteinogenic L-alpha-amino acids, and L-ornithine and L-citrulline, measured in an intracellular calcium release assay in mammalian tsA cells. The results show that receptor 5.24 is broadly activated by 19 of the tested L-alpha-amino acids and displays a preference for basic amino acids. PMID:16546162

  6. Microwave-assisted intramolecular Huisgen cycloaddition of azido alkynes derived from alpha-amino acids.

    PubMed

    Balducci, Evita; Bellucci, Luca; Petricci, Elena; Taddei, Maurizio; Tafi, Andrea

    2009-02-01

    The intramolecular version of the Huisgen cycloaddition is a potentially useful reaction for the stereocontrolled preparation of 1,5-disubstituted and 1,4,5-trisubstiututed triazoles. When alpha-azido propargyl esters derived from alpha-amino acids are submitted to [3 + 2] cycloaddition, the expected 4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-6-ones are not formed; rather, an oligomeric cyclic polyester is obtained via a prevailing intermolecular cycloaddition. We have discovered that propargyl alpha-azido amides undergo metal-free intramolecular Huisgen cycloaddition in MeCN/H(2)O under microwave dielectric heating. This reaction provides access to new condensed triazoles that can be considered as conformationally constrained peptidomimetics. Moreover, the following microwave-assisted lactam ring opening provides 1,4-disubstituted and 1,4,5-trisubstituted triazole amino acids. The same kind of compounds are obtained from the ester cycloadduct by reaction with primary amines in the presence of AlMe(3). In order to interpretate this unpredictable behavior, an ab initio study of the reaction pathway was undertaken using GAMESS(US) at the B3LYP/6-31G** level of theory. Different relaxed potential energy profiles were obtained for esters and amides, suggesting that the cis-arrangement of the -CO=N- could account for the amide reactivity. PMID:19138079

  7. Potential pancreatic imaging agents. Tellurium-123m labeled DL-alpha-amino-gamma-(phenyltelluro)butyric acid

    SciTech Connect

    Knapp, F.F. Jr.; Ambrose, K.R.; Callahan, A.P.

    1981-07-01

    This report describes the first successful preparation of a 123mTe-labeled alpha-amino acid as a potential pancreatic imaging agent. Tellurium-123m labeled DL-alpha-amino-gamma-(phenyltelluro)butyric acid was prepared by basic hydrolysis of the radiolabeled 5-(beta-(phenyltelluro)ethyl)hydantoin. The hydantoin was prepared by the reacitron of 123mTe-labeled phenyltellurol, generated by sodium borohydride reduction of diphenyl ditelluride, with 5-(beta-bromoethyl)hydantoin. Tissue distribution studies in rats with the 123mTe-labeled amino acid for periods varying from 30 min to 24 h demonstrated only marginal pancreatic accumulation of radioactivity. The significant result of these studies is that a general synthetic method has been developed for the preparation of 123mTe-labeled amino acids.

  8. Using enantioselective indicator displacement assays to determine the enantiomeric excess of alpha-amino acids.

    PubMed

    Leung, Diana; Folmer-Andersen, J Frantz; Lynch, Vincent M; Anslyn, Eric V

    2008-09-17

    Enantioselective indicator displacement assays (eIDAs) were used for the determination of enantiomeric excess (ee) of alpha-amino acids as an alternative to the labor-intensive technique of chromatography. In this study, eIDAs were implemented by the use of two chiral receptors [(Cu(II)(1)](2+), [Cu(II)(2)](2+)) in conjunction with the indicator chrome azurol S. The two receptors were able to enantioselectively discriminate 13 of the 17 analyzed alpha-amino acids. Enantiomeric excess calibration curves were made using both receptors and then used to analyze true test samples to check the system's ability to determine ee accurately. The proposed method uses a conventional UV-vis spectrophotometer to monitor the colorimetric signal, which allows for a potential high-throughput screening (HTS) method for determining ee. The techniques created consistently produced results accurate enough for rapid preliminary determination of ee. PMID:18714996

  9. Colorimetric sensing of alpha-amino acids and its application for the "label-free" detection of protease.

    PubMed

    Lou, Xiaoding; Zhang, Liyao; Qin, Jingui; Li, Zhen

    2010-02-01

    A new indirect approach to explore sensitive colorimetric sensors toward alpha-amino acids is proposed: the pink solution of 1 and copper ions changed to colorless immediately upon the addition of alpha-amino acids. As the hydrolysis of bovine serum albumin (BSA) with the aid of trypsin produces alpha-amino acids, the complex of 1/Cu(2+)/BSA could act as a label-free, sensitive, selective sensor toward trypsin. The detection process could be visually observed by naked eyes. PMID:20047345

  10. Amino acids of the Murchison meteorite. I - Six carbon acyclic primary alpha-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Gandy, W. E.; Pizzarello, S.

    1981-01-01

    Six of the seven chain isomers of six-carbon acyclic primary alpha-amino alkanoic acids (leucine isomers) have been either identified or confirmed in hot-water extracts of the Murchison meteorite using combined gas chromatography-mass spectrometry (GC-MS) and ion exchange chromatography. 2-Amino-2-ethylbutyric acid, 2-amino-2,3-dimethylbutyric acid, pseudoleucine, and 2-methylnorvaline were positively identified by GC-MS. These amino acids have not been previously reported to occur in natural materials and may be uniquely meteoritic in origin. The presence of leucine and isoleucine (including the diastereoisomer, alloisoleucine) was confirmed. Peaks corresponding to norleucine were seen by ion-exchange and gas chromatography but characteristic mass spectra were not obtained. The alpha-branched chain isomers in this series are quantitatively the most significant. These results are compared with literature data on amino acid synthesis by electrical discharge and Fischer-Tropsch-type catalysis. Neither model system produces an amino acid suite that is completely comparable to that found in the Murchison meteorite.

  11. The role of crystal polarity in alpha-amino acid crystals for induced nucleation of ice.

    PubMed

    Gavish, M; Wang, J L; Eisenstein, M; Lahav, M; Leiserowitz, L

    1992-05-01

    The hydrophobic faces of single crystals of a series of pairs of racemic and chiral-resolved hydrophobic alpha-amino acids were used as a substrate, onto which water vapor has been cooled to freezing. The morphologies and molecular packing arrangements within each crystal pair are similar but only one of each pair exhibits a polar axis, parallel to the hydrophobic face exposed to water. Those crystals that have a polar axis induce a freezing point higher by 4 degrees to 5 degrees C than the corresponding crystals that do not have a polar axis. The results are interpreted in terms of an electric field mechanism that helps align the water molecules into ice-like clusters en route to crystallization. PMID:1589763

  12. Deorphanization of GPRC6A: a promiscuous L-alpha-amino acid receptor with preference for basic amino acids.

    PubMed

    Wellendorph, Petrine; Hansen, Kasper B; Balsgaard, Anders; Greenwood, Jeremy R; Egebjerg, Jan; Bruner-Osborne, Hans

    2005-03-01

    One of the most important tasks of molecular pharmacology is the deorphanization of the large number of G-protein-coupled receptors with unidentified endogenous agonists. We recently reported the cloning and analysis of expression of a novel human family C G-protein-coupled receptor, termed hGPRC6A. To identify agonists at this orphan receptor, we faced the challenges of achieving surface expression in mammalian cell lines and establishing an appropriate functional assay. Generating a chimeric receptor construct, h6A/5.24, containing the ligand binding amino-terminal domain (ATD) of hGPRC6A with the signal transducing transmembrane and C terminus of the homologous goldfish 5.24 receptor allowed us to overcome these obstacles. Homology modeling of the hGPRC6A ATD based on the crystal structure of the metabotropic glutamate receptor subtype 1 predicted interaction with alpha-amino acids and was employed to rationally select potential ligands. Measurement of Ca2+-dependent chloride currents in Xenopus laevis oocytes facilitated the deorphanization of h6A/5.24 and identification of L-alpha-amino acids as agonists. The most active agonists were basic L-alpha-amino acids, L-Arg, L-Lys, and L-ornithine, suggesting that these may function as endogenous signaling molecules. Measurement of intracellular calcium in tsA cells expressing h6A/5.24 allowed determination of EC50 values, which confirmed the agonist preferences observed in oocytes. Cloning, cell surface expression and deorphanization of the mouse ortholog further reinforces the assignment of the agonist preferences of hGPRC6A. This study demonstrates the utility of a chimeric receptor approach in combination with molecular modeling, for elucidating agonist interaction with GPRC6A, a novel family C G-protein-coupled receptor. PMID:15576628

  13. Determination of the enantiomers of alpha-hydroxy- and alpha-amino acids in capillary electrophoresis with contactless conductivity detection.

    PubMed

    Pormsila, Worapan; Gong, Xiao Yang; Hauser, Peter C

    2010-06-01

    The enantiomers of the anions of five alpha-hydroxy acids, namely lactic acid, alpha-hydroxybutyric acid, 2-hydroxycaproic acid, 2-hydroxyoctanoic acid and 2-hydroxydecanoic acid, as well as the two alpha-amino acids aspartic acid and glutamic acid, were baseline separated and detected by CE with contactless conductivity detection. Vancomycin was employed as chiral selector and could be used with conductivity detection without having to resort to a partial filling protocol as needed when this reagent is used with UV absorbance measurements. The procedure was successfully applied to the determination of the lactic acid enantiomers in samples of milk and yogurt. Linearity was achieved in the concentration range of 10-500 micromol/L with good correlation coefficients (0.9993 and 0.9990 for L- and D-lactic acid, respectively). The LODs (3 S/N) for L- and D-lactic acid were determined as 2.8 and 2.4 micromol/L, respectively. PMID:20496346

  14. Structure--activity studies for alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid receptors: acidic hydroxyphenylalanines.

    PubMed

    Hill, R A; Wallace, L J; Miller, D D; Weinstein, D M; Shams, G; Tai, H; Layer, R T; Willins, D; Uretsky, N J; Danthi, S N

    1997-09-26

    Antagonists of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid (AMPA) receptors may have therapeutic potential as psychotropic agents. A series of mononitro- and dinitro-2- and 3-hydroxyphenylalanines was prepared, and their activity compared with willardiine, 5-nitrowillardiine, AMPA, and 2,4,5-trihydroxyphenylalanine (6-hydroxydopa) as inhibitors of specific [3H]AMPA and [3H]kainate binding in rat brain homogenates. The most active compounds were highly acidic (pKa 3-4), namely, 2-hydroxy-3,5-dinitro-DL-phenylalanine (13; [3H]AMPA IC50 approximately equal to 25 microM) and 3-hydroxy-2,4-dinitro-DL-phenylalanine (19; [3H]AMPA IC50 approximately equal to 5 microM). Two other dinitro-3-hydroxyphenylalanines, and 3,5-dinitro-DL-tyrosine, were considerably less active. Various mononitrohydroxyphenylalanines, which are less acidic, were also less active or inactive, and 2- and 3-hydroxyphenylalanine (o- and m-tyrosine) were inactive. Compounds 13 and 19, DL-willardiine (pKa 9.3, [3H]AMPA IC50 = 2 microM), and 5-nitro-DL-willardiine (pKa 6.4, [3H]AMPA IC50 = 0.2 microM) displayed AMPA > kainate selectivity in binding studies. Compound 19 was an AMPA-like agonist, but 13 was an antagonist in an AMPA-evoked norepinephrine release assay in rat hippocampal nerve endings. Also, compound 13 injected into the rat ventral pallidum antagonized the locomotor activity elicited by systemic amphetamine. PMID:9379437

  15. alpha-Hydroxy and alpha-amino acids under possible Hadean, volcanic origin-of-life conditions.

    PubMed

    Huber, Claudia; Wchtershuser, Gnter

    2006-10-27

    To test the theory of a chemoautotrophic origin of life in a volcanic, hydrothermal setting, we explored mechanisms for the buildup of bio-organic compounds by carbon fixation on catalytic transition metal precipitates. We report the carbon monoxide-dependent formation of carbon-fixation products, including an ordered series of alpha-hydroxy and alpha-amino acids of the general formula R-CHA-COOH (where R is H, CH3,C2H5,orHOCH2 and A is OH or NH2) by carbon fixation at 80 degrees to 120 degrees C, catalyzed by nickel or nickel,iron precipitates with carbonyl, cyano, and methylthio ligands as carbon sources, with or without sulfido ligands. Calcium or magnesium hydroxide was added as a pH buffer. The results narrow the gap between biochemistry and volcanic geochemistry and open a new gateway for the exploration of a volcanic, hydrothermal origin of life. PMID:17068257

  16. Polymerization on the rocks: negatively-charged alpha-amino acids

    NASA Technical Reports Server (NTRS)

    Hill, A. R. Jr; Bohler, C.; Orgel, L. E.; Bada, J. L. (Principal Investigator)

    1998-01-01

    Oligomers of the negatively-charged amino acids, glutamic acid, aspartic acid, and O-phospho-L-serine are adsorbed by hydroxylapatite and illite with affinities that increase with oligomer length. In the case of oligo-glutamic acids adsorbed on hydroxylapatite, addition of an extra residue results in an approximately four-fold increase in the strength of adsorption. Oligomers much longer than the 7-mer are retained tenaciously by the mineral. Repeated incubation of short oligo-glutamic acids adsorbed on hydroxylapatite or illite with activated monomer leads to the accumulation of oligomers at least 45 units long. The corresponding reactions of aspartic acid and O-phospho-L-serine on hydroxylapatite are less effective in generating long oligomers, while illite fails to accumulate substantial amounts of long oligomers of aspartic acid or of O-phospho-L-serine.

  17. Age-related resistance to alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid-induced hippocampal lesion.

    PubMed

    Bernal, F; Andrs, N; Samuel, D; Kerkerian-LeGoff, L; Mahy, N

    2000-01-01

    This study compares the effects of acute alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) administration in the hippocampus in adult (3 months) and middle-aged (15 months) rats at 15 days postinjection. Injection of 1 and 2.7 mM AMPA produced dose-dependent neurodegeneration, assessed by Nissl staining; a glial reaction shown by glial fibrillary acidic protein immunocytochemistry; and calcification, revealed by alizarin red staining. Furthermore, at both doses, these alterations were significantly greater in 3-month-old rats. Finally, at AMPA 2.7 mM, no significant changes in the density of hippocampal parvalbumin- or calbindin-immunoreactive neurons or in choline acetyltransferase, glutamate uptake, or GABA uptake activities were found in 15-month-old animals, whereas significant reductions in parvalbumin (-76%) and calbindin (-32%) immunostaining and in GABA uptake (-27%) were observed in 3-month-old animals compared to the respective sham-operated or control animals. In conclusion, this study clearly demonstrates that in rats the vulnerability of hippocampal neurons and the glial and calcification reactions to AMPA-induced injury decreased with age between 3 and 15 months. Our results also indicate that hippocampal cholinergic, glutamatergic, and GABAergic systems show an adaptive response to excitotoxic damage in both adult and middle-aged animals. PMID:10902899

  18. One pot, rapid and efficient synthesis of water dispersible gold nanoparticles using alpha-amino acids

    NASA Astrophysics Data System (ADS)

    Wangoo, Nishima; Kaur, Sarabjit; Bajaj, Manish; Jain, D. V. S.; Sharma, Rohit K.

    2014-10-01

    A detailed study on the synthesis of spherical and monodispersed gold nanoparticles (AuNPs) using all of the 20 naturally occurring ?-amino acids has been reported. The synthesized nanoparticles have been further characterized using various techniques such as absorbance spectroscopy, transmission electron microscopy, dynamic light scattering and nuclear magnetic resonance. Size control of the nanoparticles has been achieved by varying the ratio of the gold ion to the amino acid. These monodispersed water soluble AuNPs synthesized using non-toxic, naturally occurring ?-amino acids as reducing and capping/stabilizing agents serve as a remarkable example of green chemistry.

  19. Liposome-assisted selective polycondensation of alpha-amino acids and peptides.

    PubMed

    Hitz, T; Luisi, P L

    2000-01-01

    The main question of this paper is whether and to what extend lipid bilayers can aid in the polycondensation of amino acids and peptides. This means in particular how such bilayers can favor the selection of certain sequences out of a large number of theoretical possible ones. In a first series of experiments we started from a library of Trp-containing dipeptides of the type Trp-X where X is an amino acid residue; and we could show that, when adding this mixture to the POPC liposomes containing a hydrophobic quinoline condensing agent (EEDQ), only the hydrophobic Trp-Trp dipeptide is selected out by the liposomes and transformed into a longer oligomer. Trp-oligomers up to 29 monomers long (water insoluble) could be obtained by using the matrix support of liposomes. Mixed POPC/DDAB liposomes (positive charge) were used to produce co-oligopeptides that contain Trp and Glu residues in the same sequence. Arg/Trp and His/Trp containing sequences were obtained in presence of negatively charged liposomes (mixed POPC/DOPA-liposomes). The polycondensation of racemic NCA-amino acids has been studied to clarify if homochiral sequences are produced preferentially in presence or absence of liposomes. LC-MS and isotope labeling of the L-amino acid, participating in the polymerization reaction achieved this on the level of a direct product analysis. So the individual stereoisomer distribution up to a polymerization degree of 10 (in the case of Trp) could be determined. The data for Trp and other amino acids (Leu, Ile) and amino acid mixtures (Trp/Leu, Trp/Ile, Leu/Ile and Trp/Leu/Ile) show that homochiral sequences are produced preferentially if compared with a random (Bernoulli) distribution. PMID:11241213

  20. Development of enantioselective chemiluminescence flow- and sequential-injection immunoassays for alpha-amino acids.

    PubMed

    Silvaieh, Hossein; Schmid, Martin G; Hofstetter, Oliver; Schurig, Volker; Gbitz, Gerald

    2002-01-01

    The development of an enantioselective flow-through chemiluminescence immunosensor for amino acids is described. The approach is based on a competitive assay using enantioselective antibodies. Two different instrumental approaches, a flow-injection (FIA) and a sequential-injection system (SIA), are used. Compared to the flow-injection technique, the sequential injection-mode showed better repeatability. Both systems use an immunoreactor consisting of a flow cell packed with immobilized haptens. The haptens (4-amino-L- or D-phenylalanine) are immobilized onto a hydroxysuccinimide-activated polymer (Affi-prep 10) via a tyramine spacer. Stereoselective antibodies, raised against 4-amino-L- or D-phenylalanine, are labeled with an acridinium ester. Stereoselective inhibition of binding of the acridinum-labeled antibodies to the immobilized hapten by amino acids takes place. Chiral recognition was observed not only for the hapten molecule but also for a series of different amino acids. One assay cycle including regeneration takes 6:30 min in the FIA mode and 4:40 min in the SIA mode. Using D-phenylalanine as a sample, the detection limit was found to be 6.13 pmol/ml (1.01 ng/ml) for the flow-injection immunoassay (FIIA) and 1.76 pmol/ml (0.29 ng/ml ) for the sequential-injection immunoassay (SIIA) which can be lowered to 0.22 pmol/ml (0.036 ng/ml) or 0.064 pmol/ml (0.01 ng/ml) by using a stopped flow system. The intra-assay repeatability was found to be about 5% RSD and the inter-assay repeatability below 6% (within 3 days). PMID:12406581

  1. Transitioning enantioselective indicator displacement assays for alpha-amino acids to protocols amenable to high-throughput screening.

    PubMed

    Leung, Diana; Anslyn, Eric V

    2008-09-17

    Enantioselective indicator displacement assays (eIDAs) for alpha-amino acids were conducted in a 96-well plate format to demonstrate the viability of the technique for the high-throughput screening (HTS) of enantiomeric excess (ee) values. Chiral receptors [Cu(II)(1)](2+) and [Cu(II)(2)](2+) with the indicator chrome azurol S were implemented for the eIDAs. Enantiomeric excess calibration curves were made using both receptors and then used to analyze true test samples. These results were compared to those previously obtained with a conventional UV-vis spectrophotometer, and they showed little to no loss of accuracy, while the speed of analysis was increased. A sample of valine of unknown ee was synthesized through an asymmetric reaction to produce a realistic reaction sample, which was analyzed using receptor [Cu(II)(1)](2+). The experimentally determined ee using our eIDA was compared to that obtained by chiral HPLC and (1)H NMR chiral shift reagent analysis. This gave errors of 4.7% and 12.0%, respectively. In addition to the use of ee calibration curves, an artificial neural network (ANN) was used to determine the % L-amino acid of the test samples and of the sample of valine of unknown ee from the asymmetric reaction. This method obtained errors of 5.9% and 2.2% compared to chiral HPLC and (1)H NMR chiral shift reagent analysis, respectively. The technique using calibration curves for the determination of ee on a 96-well plate allows one to determine 96 ee values in under a minute, enabling its use for HTS of asymmetric reactions with acceptable accuracy. PMID:18714993

  2. Structural and NMR investigations of the ternary adducts of twenty alpha-amino acids and selected dipeptides with a chiral, diaqua-ytterbium complex.

    PubMed

    Dickins, Rachel S; Batsanov, Andrei S; Howard, Judith A K; Parker, David; Puschmann, Horst; Salamano, Stefania

    2004-01-01

    A detailed investigation of the nature of the binding of each of the 20 common alpha-amino acids and various selected dipeptides to a chiral, diaqua-ytterbium complex in aqueous solution has been carried out. Analysis of the dipolar 1H NMR paramagnetic shifts suggests that the alpha-amino acids form a common chelated structure within a nine-coordinate mono-capped square antiprismatic coordination environment, with the amine N axially disposed. Crystal structures of nine chelated YbL1-amino acid adducts (Gly, Ala, Ser, Thr, Met) confirm this. The ternary complexes with dipeptides (e.g. Gly-Ala, Gly-Ser, Gly-Met, Gly-Asp, Gly-Asn, Gly-His, Ser-Met, Asp-Phe, His-Gly) also favour the terminal amine as the axial donor with the proximate amide group binding to generate a five-ring chelate. Evidence for chelation through side-chain functionality was found only in the case of N-terminal Asp. The chiral environment about the ytterbium ion upon amino acid binding has also been probed using near-IR circular dichroism spectroscopy. PMID:15356744

  3. Nootropic drugs positively modulate alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid-sensitive glutamate receptors in neuronal cultures.

    PubMed

    Copani, A; Genazzani, A A; Aleppo, G; Casabona, G; Canonico, P L; Scapagnini, U; Nicoletti, F

    1992-04-01

    Micromolar concentrations of piracetam, aniracetam, and oxiracetam enhanced alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)-stimulated 45Ca2+ influx in primary cultures of cerebellar granule cells. Nootropic drugs increased the efficacy but not the potency of AMPA and their action persisted in the presence of the voltage-sensitive calcium channel blocker nifedipine. Potentiation by oxiracetam was specific for AMPA receptor-mediated signal transduction, as the drug changed neither the stimulation of 45Ca2+ influx by kainate or N-methyl-D-aspartate nor the activation of inositol phospholipid hydrolysis elicited by quisqualate or (+-)-1-aminocyclopentane-trans-1,3-dicarboxylic acid. Piracetam, aniracetam, and oxiracetam increased the maximal density of the specific binding sites for [3H]AMPA in synaptic membranes from rat cerebral cortex. Taken collectively, these results support the view that nootropic drugs act as positive modulators of AMPA-sensitive glutamate receptors in neurons. PMID:1372342

  4. Gas phase attachment of water and methanol to Ag(I) complexes with alpha-amino acids in an ion trap mass spectrometer.

    PubMed

    Perera, B A; Ince, M P; Talaty, E R; Van Stipdonk, M J

    2001-01-01

    Electrospray ionization was used to generate gas phase complexes of Ag+ with selected alpha-amino acids. Following storage (isolation without collisional activation) in an ion trap mass spectrometer, the mass spectra produced from the complexes of Ag+ with alpha-amino acids such as alanine, valine and tert-leucine contained peaks consistent with the formation of water or methanol molecule adduct ions. The same adduct ions were not present, however, in the mass spectra generated from the Ag+ complexes with phenylalanine, tyrosine and tryptophan following isolation and storage under similar conditions. For those complexes that showed reactivity, the uptake of water and methanol increased with longer storage times in the ion trap. A preliminary molecular modeling study using phenylalanine demonstrated that the aromatic ring coordinates the Ag+ ion, and the interaction between the metal ion and pi-system, in part, is assumed to prohibit the binding of water or methanol during isolation in the gas phase. This conclusion is supported by a comparison of the adduct formation by the Ag+ complexes with phenylalanine, 4-fluorophenylalanine and alpha-aminocyclohexanepropionic acid. In addition, collision induced dissociation experiments involving the Ag+ complexes of phenylalanine, tyrosine and tryptophan suggest that limiting the coordination of the Ag ion by the complexing molecule (i.e. by loss of a coordinating functional group and/or change in structure due to dissociation) results in the binding of a water or methanol molecule during storage in the ion trap. Surprisingly, the bare Ag+ ion, when trapped and stored under identical experimental conditions, formed neither adduct species, suggesting that the attachment of water or methanol may be due to interactions with a molecular orbital within the Ag+/molecule complex. PMID:11312512

  5. Differential effects of dietary fatty acids on rat liver alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase activity and gene expression.

    PubMed

    Egashira, Yukari; Murotani, Gen; Tanabe, Atsushi; Saito, Kuniaki; Uehara, Koich; Morise, Akiko; Sato, Mayuki; Sanada, Hiroo

    2004-11-01

    Hepatic alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD; formerly termed picolinic carboxylase) [EC4.1.1.45] plays a key role in regulating NAD biosynthesis and the generation of quinolinate (quinolinic acid) from tryptophan. Quinolinate is a potent endogenous excitotoxin of neuronal cells. We previously reported that ingestion of fatty acids by rats leads to a decrease in their hepatic ACMSD activity. However, the mechanism of this phenomenon is not clarified. We previously purified ACMSD and cloned cDNA encoding rat ACMSD. Therefore, in this study, we examined the differential effect of fatty acids on ACMSD mRNA expression by Northern blot. Moreover, we measured quinolinic acid concentration in rats fed on fatty acid. When diets containing 2% level of fatty acid were given to male Sprague-Dawley rats (4 weeks old) for 8 days, long-chain saturated fatty acids and oleic acid did not affect ACMSD mRNA expression in the liver. Eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) strongly suppressed the liver ACMSD mRNA expression. In rats fed with high linoleic acid diet for 8 days, serum quinolinic acid was significantly increased as compared with the rats fed on a fatty acid-free diet under the condition of the approximately same calorie ingestion. These results suggest that the transcription level of ACMSD is modulated by polyunsaturated fatty acids, and suppressive potency of ACMSD mRNA is n-3 fatty acid family>linoleic acid (n-6 fatty acid)>saturated fatty acid. Moreover, this study provides the information that a high polyunsaturated fatty acid diet affects the production of quinolinic acid in serum by suppressing the ACMSD activity. PMID:15522828

  6. Quantum-chemical analysis of thermodynamics of two-dimensional cluster formation of alpha-amino acids at the air/water interface.

    PubMed

    Vysotsky, Yu B; Fomina, E S; Belyaeva, E A; Aksenenko, E V; Vollhardt, D; Miller, R

    2009-12-31

    The semiempirical quantum-chemical PM3 method is used to calculate the thermodynamic parameters of clusterization of the S-form of alpha-amino acids with the general composition C(n)H(2n+1)CHNH(2)COOH (n = 5-15) at 278 and 298 K. It is shown that six stable conformations of monomers exist, for which the thermodynamic parameters (enthalpy and Gibbs' energy) of the formation and absolute entropy are calculated. The correlation dependencies of the calculated parameters on the alkyl chain length are found to be linear. The structures of the monomers are used to build larger clusters (dimers, tetramers, hexamers). For all small clusters (comprised of two to six molecules), the thermodynamic parameters of formation and clusterization are calculated. It is shown that for tetramers and hexamers the enthalpy, entropy, and Gibbs' energy of clusterization are linearly dependent on the alkyl chain length, whereas for the dimers these dependencies are stepwise. The thermodynamic characteristics of clusterization of associates tilted by angles of 9 and 30 degrees with respect to the normal to the interface are calculated. It is shown that the 30 degrees angle orientation is more energetically advantageous for this class of compounds. The geometric parameters of the unit cell characteristic for the infinite 2D film which corresponds to the most advantageous conformation of the monomer were calculated using the PM3 parametrization to be a = 4.57-4.71 A and b = 5.67-5.75 A, with the angle between the axes theta = 100-103 degrees . These values agree well with the available experimental data. Spontaneous clusterization of alpha-amino acids at the air/water interface at 278 K takes place if the alkyl chain length exceeds 11-12 carbon atoms, whereas for 298 K this clusterization threshold corresponds to 13-14 carbon atoms in the alkyl chain, also in agreement with the experimental data. PMID:19924883

  7. High-performance liquid chromatographic determination of alpha-amino acids in pharmaceutical dosage forms using aqueous mobile phase containing copper (II) ions.

    PubMed

    Refaat, I H

    2002-01-01

    A simple high-performance liquid chromatographic method was developed and validated for the determination of three alpha-amino acids (glycine, lysine, cysteine) and the amino acid derivative (N-acetylhomocysteine thiolactone) using aqueous mobile phase containing copper (II) ions. These amino acids were extracted from tablets, vials, effervescent salts and syrups and quantitatively diluted by the mobile phase. The separation was carried out on zorbax TMS column. The mobile phase was either 1.0 x 10(-3) M CuSO4 or 1.0 x 10(-3) M CuSO4 with 1.0% trimethylamine, pH 4.0. A linear relationship was obtained between detector response at 232 nm and the concentration of the studied amino acids in the range of 1.5-50 ng/microL. The intraday precision for 10-replicate samples varied from 0.59-2.66 while the interday precision ranged from 0.91-3.55 as CV%. A good recovery percentage was obtained in the analysis of many dosage forms ranging from 96.93 to 100.85 with a CV% from 0.33 to 1.74. The presented chromatographic separation method does not depend on any pretreatment or derivatization. The described chromatographic conditions, for both linearity and sensitivity, are sufficient for the selective determination of the cited amino acids. The interference from other combined pharmaceutical ingredients was resolved. PMID:12064059

  8. Purification and biochemical characterization of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid/kainate-sensitive L-glutamate receptors of pig brain.

    PubMed Central

    Chang, Y C; Wu, T Y; Li, B F; Gao, L H; Liu, C I; Wu, C L

    1996-01-01

    Two preparations of glutamate receptors were purified from the synaptic junctions of pig brain by a combination of detergent solubilization, anion-exchange chromatography, wheat-germ agglutinin affinity chromatography and sedimentation through sucrose gradients. These preparations were enriched in specific L-[3H]glutamate binding activity (> 5000 pmol of glutamate binding sites/mg of protein), and the rank order of ligand affinity for binding to these preparations was: quisqualate > 6-cyano-7- nitroquinoxaline-2,3-dione > alpha-amino-3-hydroxy-5-methyl-4- isoxazolepropionic acid (AMPA) > L-glutamate > kainate > > N-methyl-D-aspartate approximately L-2-amino-4-phosphonobutyrate. SDS/PAGE analysis revealed that more than 80% of the protein in either of these preparations appeared as a single protein band of 106 kDa. Two-dimensional gel electrophoresis further revealed that these 106 kDa proteins consisted of a series of acidic proteins which were recognized by antibodies against rat AMPA receptor subunits. These 106 kDa proteins were also recognized by wheatgerm agglutinin and concanavalin A; in addition, peptide N-glycosidase F treatment of these preparations decreased their size to 99 kDa. Our results suggest that the putative glutamate receptors isolated here are likely to belong to the AMPA subtype of glutamate receptors in pig brain. Using the purification procedure reported here, 5 micrograms of AMPA receptor proteins can be isolated from 250 g of pig brain tissue. PMID:8870648

  9. Synthesis of alpha-amino acids via asymmetric phase transfer-catalyzed alkylation of achiral nickel(II) complexes of glycine-derived Schiff bases.

    PubMed

    Belokon, Yuri N; Bespalova, Natalia B; Churkina, Tatiana D; Csarov, Ivana; Ezernitskaya, Marina G; Harutyunyan, Syuzanna R; Hrdina, Radim; Kagan, Henri B; Kocovsk, Pavel; Kochetkov, Konstantin A; Larionov, Oleg V; Lyssenko, Konstantin A; North, Michael; Polsek, Miroslav; Peregudov, Alexander S; Prisyazhnyuk, Vladimir V; Vyskocil, Stepn

    2003-10-22

    Achiral, diamagnetic Ni(II) complexes 1 and 3 have been synthesized from Ni(II) salts and the Schiff bases, generated from glycine and PBP (7) and PBA (11), respectively, in MeONa/MeOH solutions. The requisite carbonyl-derivatizing agents pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide 7 (PBP) and pyridine-2-carboxylic acid(2-formyl-phenyl)-amide 11 (PBA) were readily prepared from picolinic acid and o-aminobenzophenone or picolinic acid and methyl o-anthranilate, respectively. The structure of 1 was established by X-ray crystallography. Complexes 1 and 3 were found to undergo C-alkylation with alkyl halides under PTC conditions in the presence of beta-naphthol or benzyltriethylammonium bromide as catalysts to give mono- and bis-alkylated products, respectively. Decomposition of the complexes with aqueous HCl under mild conditions gave the required amino acids, and PBP and PBA were recovered. Alkylation of 1 with highly reactive alkyl halides, carried out under the PTC conditions in the presence of 10% mol of (S)- or (R)-2-hydroxy-2'-amino-1,1'-binaphthyl 31a (NOBIN) and/or its N-acyl derivatives and by (S)- or (R)-2-hydroxy-8'-amino-1,1'-binaphthyl 32a (iso-NOBIN) and its N-acyl derivatives, respectively, gave rise to alpha-amino acids with high enantioselectivities (90-98.5% ee) in good-to-excellent chemical yields at room temperature within several minutes. An unusually large positive nonlinear effect was observed in these reactions. The Michael addition of acrylic derivatives 37 to 1 was conducted under similar conditions with up to 96% ee. The (1)H NMR and IR spectra of a mixture of the sodium salt of NOBIN and 1 indicated formation of a complex between the two components. Implications of the association and self-association of NOBIN for the observed sense of asymmetric induction and nonlinear effects are discussed. PMID:14558835

  10. Modulation of DL-. alpha. -amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid/quisqualate receptors by phospholipase A sub 2 : A necessary step in long-term potentiation

    SciTech Connect

    Massicotte, G.; Baudry, M. ); Vanderklish, P.; Lynch, G. )

    1991-03-01

    The effects of kainate (KA)-induced epileptic seizures on the binding properites of hippocampal glutamate receptors, on the modulation of DL-{alpha}-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/quisqualate receptor by phospholipase A{sub 2} (PLA{sub 2}), and on the formation of long-term potentiation (LTP) were studied in hippocampal membranes and hippocampal slices. Systemic administration of KA produced specific changes in the binding properties of the AMPA/quisqualate receptors and its regulation. Whereas the binding of various ligands to the N-methyl-D-aspartate receptors was not modified by KA treatment, there was a singificant decrease in the maximal number of binding sites for ({sup 3}H)AMPA. The loss of LTP was not due to changes in postsynaptic responses elicited by the bursts that trigger the potentiation effect, thus suggesting that KA treatment disrupts processes that follow N-methyl-D-aspartate receptor activation. Systemic administration of KA was associated with calpain activation as the amount of spectrin breakdown products was increased severalfold in hippocampus but not in cerebellum. Pretreatment of telencephalic membranes with calpain greatly reduced the PLA{sub 2}-induced increase in ({sup 3}H)AMPA binding. The results provide evidence in favor of an essential role of PLA{sub 2} in the development of LTP and suggest that the order of activation of different calcium-dependent processes is critical for producing the final changes underlying LTP.

  11. Positive alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor modulators have different impact on synaptic transmission in the thalamus and hippocampus.

    PubMed

    Xia, Yan-Fang; Kessler, Markus; Arai, Amy C

    2005-04-01

    Earlier studies showed that positive modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors enhance synaptic responses and facilitate synaptic plasticity. Those studies focused mainly on hippocampal functions. However, AMPA receptors have regionally distinct subunit compositions and thus potencies and efficacies of modulators may vary across the brain. The present study compared the effects of CX546 [1-(1,4-benzodioxan-6-ylcarbonyl) piperidine], a benzamide-type modulator, on synaptic transmission in neurons of the reticular thalamic nucleus (RTN), which regulates the firing mode of relay cells in other thalamic nuclei, and on hippocampal CA1 pyramidal cells. CX546 greatly prolonged synaptic responses in CA1 pyramidal cells, but at the same concentration it had only weak modulatory effects in RTN neurons. Effects on miniature excitatory postsynaptic currents (EPSCs) were similar to those on EPSCs in both regions, suggesting that variations in neuronal morphology and transmitter release kinetics do not account for the differences. Relay cells in the ventrobasal thalamus also exhibited weak modulatory effects that were comparable with those in RTN neurons. Regionally different effects on response duration were also observed with CX516 [BDP-12, 1-(quinoxalin-6-ylcarbonyl)piperidine], a second benzamide drug. In contrast, 100 microM cyclothiazide produced comparable synaptic enhancements in hippocampus and RTN. The regional selectivity of benzamide drugs (ampakines) may be explained, at least in part, by a lower potency at thalamic AMPA receptors, perhaps due to the prevalence of the subunits GluR3 and 4. Although regional preferences of the ampakines were modest in their extent, they may be sufficient to be of relevance when considering future therapeutic applications of such compounds. PMID:15626725

  12. The mechanism of action of aniracetam at synaptic alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors: indirect and direct effects on desensitization.

    PubMed

    Lawrence, J Josh; Brenowitz, Stephan; Trussell, Laurence O

    2003-08-01

    The mechanism of action of aniracetam on alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors was examined in outside-out patches and at glutamatergic synapses in neurons of the chick cochlear nucleus. A combination of rapid-flow analysis, using glutamate as an agonist, and kinetic modeling indicated that aniracetam slows both the rate of channel closing, and the microscopic rates of desensitization, even for partially liganded receptors. Little effect was observed on the rate of recovery from desensitization or on the response to the weakly desensitizing agonist kainate. Aniracetam's effects on receptor deactivation saturated at lower concentrations than its effects on desensitization, suggesting that cooperativity between homologous binding sites was required to regulate desensitization. Analysis of responses to paired pulses of agonist also indicated that AMPA receptors must desensitize partially even after agonist exposures too brief to permit rebinding. In the presence of aniracetam, evoked excitatory synaptic currents (EPSCs) and miniature EPSCs in low quantal-content conditions had decay times similar to the time course of receptor deactivation. Under these conditions, the time course of both transmitter release and clearance must be <1 to 2 ms. However, in high quantal-content conditions, the evoked EPSC in aniracetam decayed with a time course intermediate between deactivation and desensitization, suggesting that the time course of transmitter clearance is prolonged because of pooling of transmitter in the synaptic cleft. Moreover, by comparing the amounts of paired-pulse synaptic depression and patch desensitization prevented by aniracetam, we conclude that significant desensitization occurs in response to rebinding of transmitter to the AMPA receptors. PMID:12869631

  13. Pb(II)-binding capability of aminohydroxamic acids: primary hydroxamic acid derivatives of alpha-amino acids as possible sequestering agents for Pb(II).

    PubMed

    Bátka, Dávid; Farkas, Etelka

    2006-01-01

    Complexes of aminohydroxamic acids, D,L-alpha-alaninehydroxamic acid (alpha-Alaha), sarcosinehydroxamic acid (Sarha), D,L-N-methyl-alpha-alaninehydroxamic acid (N-Me-alpha-Alaha), beta-alaninehydroxamic (beta-Alaha), L-aspartic acid-beta-hydroxamic acid (Asp-beta-ha), L-glutamic acid-gamma-hydroxamic acid (Glu-gamma-ha) and L-histidinehydroxamic acid (Hisha) with lead(II) in aqueous solution were studied by pH-potentiometric, 1H NMR and electrospray ionization mass spectrometric (ESI MS) methods. The results were compared to those of a simple monohydroxamic acid, acetohydroxamic acid and the effects of the amino group, hydroxamate-N, as well as, additional side chain donors on the co-ordination mode and on the stability of the complexes formed were evaluated. It was found that the amino nitrogen atom situating in beta- or in gamma-position (beta-Alaha, Asp-beta-ha, Glu-gamma-ha) does not co-ordinate to Pb(II), only hydroxamate type chelates are formed before the hydrolytic processes. However, the amino-N in alpha-position (alpha-Alaha, Sarha, Hisha) seems to form a stable 5-membered (N,N)-type chelate together with the deprotonated hydroxamate-N above pH 6. On the other hand, the hydroxamate (O,O)-type chelate also exists. Since steric reasons do not allow the coordination of these two chelates of a molecule to the same Pb(II) ion, polynuclear complexes with mixed co-ordination modes are formed with the alpha-derivatives above pH 6. Simple hydroxamate type complexes are formed with N-Me-alpha-Alaha, where the hydroxamate-N is not able to co-ordinate. The co-ordination of the side chain imidazole of Hisha is not measurable, while a weak interaction of the side chain carboxylates of Asp-beta-ha and especially of Glu-gamma-ha can be suggested. PMID:16274742

  14. L-[alphaS, 5S]-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (NSC-163501): a new amino acid antibiotic with the properties of an antagonist of L-glutamine.

    PubMed

    Jayaram, H N; Cooney, D A; Ryan, J A; Neil, G; Dion, R L; Bono, V H

    1975-01-01

    L-[alphaS,5S]-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (NSC-163501), an antibiotic elaborated by Streptomyces sviceus, has been shown to be a powerful inhibitor of many mammalian and bacterial reactions involving the transfer of nitrogen from the gamma-carboxamide of L-glutamine. Thus, the utilization of L-glutamine for the synthesis of carbamyl phosphate, L-asparagine, guanosine-5'-monophosphate, cytidine-5'-triphosphate, N-formylglycinamidine ribonucleotide, NAD, glucosamine-6-phosphate, and anthranilic acid is strongly or totally inhibited by a concentration of NSC-163501 of 1 X 10(-3) M. L-Glutamate synthetase of Escherichia coli is only modestly inhibited and 5-phosphoribosylamine synthesis in fetal rat liver is comparatively refractory to inhibition. NSC-163501 treatment of L1210 cells growing in a low L-glutamine culture medium produced arrest in G or early S phase. Of the amino acids tested, only L-glutamine antagonized such growth inhibition. PMID:1147

  15. Cross-metathesis of C-allyl iminosugars with alkenyl oxazolidines as a key step in the synthesis of C-iminoglycosyl alpha-amino acids. A route to iminosugar containing C-glycopeptides.

    PubMed

    Dondoni, Alessandro; Giovannini, Pier Paolo; Perrone, Daniela

    2005-07-01

    [structures: see text] A general access to a novel class of sugar alpha-amino acids composed of iminofuranose and iminopyranose residues anomerically linked to the glycinyl group through an alkyl chain is described. A set of eight compounds was prepared by the same reaction sequence involving as an initial step the Grubbs Ru-carbene-catalyzed cross-metathesis (CM) of various N-Cbz-protected allyl C-iminoglycosides with N-Boc-vinyl- and N-Boc-allyloxazolidine. The isolated yields of the CM products (mixtures of E- and Z-alkenes) varied in the range 40-70%. Each mixture was elaborated by first reducing the carbon-carbon double bond using in situ generated diimide and then unveiling the N-Boc glycinyl group [CH(BocNH)CO2H] by oxidative cleavage of the oxazolidine ring by the Jones reagent. All amino acids were characterized as their methyl esters. The insertion of a model C-iminoglycosyl-2-aminopentanoic acid into a tripeptide via sequential carboxylic and amino group coupling with L-phenylalanine derivatives was carried out as a demonstration of the potential of these sugar amino acids in designed glycopeptide synthesis. PMID:15989332

  16. Effect of DNA interaction involving antioxidative 4-aminoantipyrine incorporating mixed ligand complexes having alpha-amino acid as co-ligand

    NASA Astrophysics Data System (ADS)

    Raman, Natarajan; Sakthivel, Arunagiri; Selvaganapathy, Muthusamy; Mitu, Liviu

    2014-02-01

    Few new mixed ligand transition metal complexes of the stoichiometry [ML(A)2], where M = Co(II), Ni(II), Cu(II) and Zn(II), L = FFAP (furfurylidene-4-aminoantipyrine) and A = amino acid (glycine/alanine/valine), have been designed, synthesized and characterized. The molar conductivity of the complexes in DMF at 10-3 M concentration shows that they are non-electrolytes. The interaction of these complexes with CT-DNA indicates that the valine mixed ligand complexes are having higher binding constant than alanine and glycine mixed ligand complexes. This analysis reveals that binding constant depends on the size of the alkyl group present in the amino acid. The binding constants of valine mixed ligand complexes are in the order of 104 to 105 M-1 revealing that the complexes interact with DNA through moderate intercalation mode. The metal complexes exhibit effective cleavage of pUC19 DNA but it is not preceded via radical cleavage and superoxide anion radical. They are good antimicrobial agents than the free ligand. On comparing the IC50 values, [Ni(L)(Gly)2] is considered as a potential drug to eliminate the hydroxyl radical.

  17. Chemistry of Natural alpha-Amino Acids: A Surprising "One-Pot Four-Step" Conversion of Polyfunctional Enones into Cyclic Imines

    NASA Astrophysics Data System (ADS)

    Amigoni, Sonia; Penverne, Christophe; Nugier-Chauvin, Caroline; Le Floc'h, Yves

    1999-09-01

    This project is aimed at introducing graduate students to multistep organic synthesis. The elaboration of the proposed retrosynthetic scheme involved the use of natural a-amino acids as starting materials. The synthesis of the target polyfunctional enones allowed students to understand the importance of protective groups. They also discovered the necessity of intermediate purification even at the price of lower yields. The use of sensitive and harmful reagents such as DIBALH, for instance, led the instructors to point out laboratory work hazards and to remind students of elementary safety instructions. Hydrogenation and hydrogenolysis of these enones afforded original analogues of natural alkaloids, the structure of which was elucidated by NMR spectroscopy and IR spectrometry.

  18. Mechanism of resistance of a variant of P388 leukemia to L-(alpha S,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (acivicin).

    PubMed

    Jayaram, H N; Ardalan, B; Deas, M; Johnson, R K

    1985-01-01

    Acivicin [L-(alpha S,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; NSC 163501] is a fermentation-derived amino acid antibiotic antagonistic to L-glutamine which exhibits potent oncolytic properties. We have developed a variant of P388 leukemia resistant to acivicin (P388/ACIA) and compared its properties with those of the parent line (P388/S). An examination of the enzymes utilizing L-glutamine revealed that the basal specific activities of L-asparagine synthetase and L-glutaminase were 1-to 3-fold higher in the parent line. The activities of carbamoyl phosphate synthetase II, L-asparagine synthetase, formylglycinamide ribonucleotide amidotransferase, and guanosine monophosphate synthetase were about equally inhibited in the two cell lines, while there was a partial inhibition of 5-phosphoribosyl-1-pyrophosphate amidotransferase, fructose-6-phosphate amidotransferase, and L-glutaminase activities, found only in the sensitive line. Cytidine triphosphate synthetase activity was not inhibited in either line. There was no difference in the dose response or restitution of L-glutamine utilizing enzyme activities between the two lines. Acivicin treatment produced a 2- to 3-fold augmentation of the L-glutamine pools only in the sensitive line. Drug injection induced increased 5-phosphoribosyl-1-pyrophosphate levels in both lines. Acivicin perturbed guanosine nucleotide pools only in the sensitive line, indicating that the primary mechanism of action of acivicin in P388 leukemia may be directed at guanosine monophosphate synthetase. Transport studies demonstrated a restricted uptake of acivicin by the resistant cells. These studies suggest that the transport of acivicin and L-glutamine plays an important role in determining the sensitivity or resistance to acivicin in these tumors. PMID:2578092

  19. A study of the oligomeric state of the alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid-preferring glutamate receptors in the synaptic junctions of porcine brain.

    PubMed Central

    Wu, T Y; Liu, C I; Chang, Y C

    1996-01-01

    The number of the subunits in an alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)-preferring L-glutamate receptor in the synaptic junctions of porcine brain was investigated in this study. Upon incubation of the synaptic junctions with three cross-linking regents, dimethyl adipimidate (DMA), dimethyl suberimidate (DMS) and N-succinimidyl-(4-azidophenyl)-1,3'-dithiopropionate (SADP), AMPA receptor subunits in higher-molecular-mass aggregates were detected by immunoblotting. These aggregates migrated as proteins of approx. 200, 300 and 400 kDa. The number and identity of the subunits in a solubilized AMPA receptor were also investigated here. Two samples, W1 and W2, enriched in AMPA receptors were prepared from synaptic junctions by a combination of detergent-solubilization, anion-exchange chromatography and wheatgerm agglutinin affinity chromatography. Hydrodynamic behaviour analyses revealed that the majority of the AMPA receptors in either one of these samples were asymmetrical detergent-surrounded particles with a protein mass around 350 kDa. SDS/PAGE analysis revealed that the majority of AMPA receptors in the W1 sample were comprised of dimers of 106 kDa subunits which were covalently linked by disulphide bonds. Cross-linking these receptors with SADP yielded a new band of approx. 400 kDa. The results obtained here, either from the studies of AMPA receptors embedding in synaptic junctions or from those of detergent-solubilized and partially purified receptors, suggest that AMPA receptors contain a basic core structure comprising of four 106 kDa subunits. PMID:8920974

  20. Enhancement of contextual fear-conditioning by putative (+/-)-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) receptor modulators and N-methyl-D-aspartate (NMDA) receptor antagonists in DBA/2J mice.

    PubMed

    Lu, Y; Wehner, J M

    1997-09-12

    Previous studies demonstrated that DBA/2J (DBA) mice performed poorly while C57BL/6J (C57) mice performed normally on a number of complex learning and memory tasks. Chronic oxiracetam treatment dramatically improved the performance of DBA mice but not that of C57 mice on the Morris water task and in contextual fear conditioning. The present study demonstrates that acute treatment with nootropics, oxiracetam (10-1000 mg/kg) or aniracetam (10-100 mg/kg), and N-methyl-D-Aspartate (NMDA) antagonists, (+)-MK-801 (0.1-3 microg/kg), CPP (0.01-0.3 mg/kg), and (+)-HA-966 (0.1-3 mg/kg), administered prior to training and testing, reversed the contextual learning impairment in DBA mice in a dose-dependent manner without affecting auditory cue conditioning. These effects appeared to be independent of testing order (context vs. auditory cue tests) and were not due to state-dependent learning. The inactive stereoisomers, (-)-MK-801 and (-)-HA-966, were incapable of increasing contextual freezing in DBA mice. In DBA mice, the effects of 30 mg/kg oxiracetam and 100 mg/kg aniracetam were inhibited by the (+/-)-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) receptor antagonists, NBQX, and GYKI-52466. The combined administration of 30 mg/kg oxiracetam and 1 microg/kg (+)-MK-801 produced an additive response. None of the pharmacological treatments altered performance in C57 mice at doses that were effective in DBA mice. These results suggest that DBA mice may be learning impaired due to altered glutamatergic receptor function. PMID:9369316

  1. Synthesis of a conformationally constrained ?-amino acid building block.

    PubMed

    O'Reilly, Elaine; Pes, Lara; Ortin, Yannick; Mller-Bunz, Helge; Paradisi, Francesca

    2013-02-01

    Conformationally restricted amino acids are important components in peptidomimetics and drug design. Herein, we describe the synthesis of a novel, non-proteinogenic constrained delta amino acid containing a cyclobutane ring, cis-3(aminomethyl)cyclobutane carboxylic acid (ACCA). The synthesis of the target amino acid was achieved in seven steps, with the key reaction being a base induced intramolecular nucleophilic substitution. A small library of dipeptides was prepared through the coupling of ACCA with proteinogenic amino acids. PMID:22851051

  2. Four-component reaction for the preparation of alpha-amino phosphonates from methyleneaziridines.

    PubMed

    Mumford, Peter M; Tarver, Gary J; Shipman, Michael

    2009-05-01

    Alpha-amino phosphonates can be rapidly assembled in moderate to good yields (42-65%) via a "one-pot" process that brings together four components through the construction of three new intermolecular bonds. PMID:19351179

  3. Catalysis in the formation of /alpha/-amino ketones

    SciTech Connect

    Popov, A.F.; Anikeev, A.V.

    1988-10-20

    The kinetics of the reaction of /alpha/-halogenoacetophenones with piperidine and N-methylpiperidine in cyclohexane at 30/degree/C were investigated. The autocatalytic nature of these reactions is due to the formation of catalytically active acidic products from degradation of the /alpha/-aminoacetophenone in the reaction system. The catalytic effect of additions of acetic acid and phenol on the rate of the reactions of /alpha/-halogenoacetophenone with piperidine and N-methylpiperidine is described quantitatively. Catalysis by acetic acid in the reaction of /alpha/-halogenoacetophenones with piperidine has a bifunctional mechanism.

  4. Minimal genome encoding proteins with constrained amino acid repertoire

    PubMed Central

    Tsoy, Olga; Yurieva, Marina; Kucharavy, Andrey; O'Reilly, Mary; Mushegian, Arcady

    2013-01-01

    Minimal bacterial gene set comprises the genetic elements needed for survival of engineered bacterium on a rich medium. This set is estimated to include 300350 protein-coding genes. One way of simplifying an organism with such a minimal genome even further is to constrain the amino acid content of its proteins. In this study, comparative genomics approaches and the results of gene knockout experiments were used to extrapolate the minimal gene set of mollicutes, and bioinformatics combined with the knowledge-based analysis of the structure-function relationships in these proteins and their orthologs, paralogs and analogs was applied to examine the challenges of completely replacing the rarest residue, cysteine. Among several known functions of cysteine residues, their roles in the active centers of the enzymes responsible for deoxyribonucleoside synthesis and transfer RNA modification appear to be crucial, as no alternative chemistry is known for these reactions. Thus, drastic reduction of the content of the rarest amino acid in a minimal proteome appears to be possible, but its complete elimination is challenging. PMID:23873957

  5. Zinc mediated allylations of chlorosilanes promoted by ultrasound: synthesis of novel constrained sila amino acids.

    PubMed

    Ramesh, Remya; Reddy, D Srinivasa

    2014-06-28

    A simple, fast and efficient method for allylation and propargylation of chlorosilanes through zinc mediation and ultrasound promotion is reported. As a direct application of the resulting bis-allylsilanes, three novel, constrained sila amino acids are prepared for the first time. The design and synthesis of the constrained sila analogue of GABA (?-amino butyric acid) is a highlight of this work. PMID:24827151

  6. Solid-state complexes of poly(alpha-amino acid)s and transition metal chlorides

    NASA Astrophysics Data System (ADS)

    McCurdie, Mary Pat

    Poly(4-vinyl pyridine) (P4VP) and dichlorotricarbonyl ruthenium(II) dimer are shown via fourier transform infrared (FTIR) analysis and group theory to form coordination crosslinks. The crosslinks occur by coordination of two pyridine groups to each Rusp{2+} metal center. As the percentage of dimer is increased, FTIR shows evidence of metal pendant groups in addition to the coordination crosslinks. Quantitative measurements from FTIR spectra are used to correlate the number of crosslinks with the amount of dimer present in the mixture. Poly(L-histidine) (PHIS) and poly(L-lysine) (PLYS) are shown to have glass transition temperatures when heated in the solid state. These transition temperatures at 169spC for PHIS and 178spC have never been reported in the literature. When combined with several first-row transition metal ions (Cosp{2+},\\ Nisp{2+},\\ Cusp{2+},\\ Znsp{2+}) PHIS forms coordination crosslinks. Differential scanning calorimetry (DSC) shows an increase in glass transition temperature for metal/PHIS complexes, with the greatest enhancement (6.9spC/mol% metal salt) from nickel chloride. FTIR shows evidence of coordination to both the histidine side chains and to the amide group in the backbone of PHIS. When combined with two second-row metal ions (Rusp{2+},\\ Pdsp{2+}) coordination crosslinks also form, with only histidine side chains involved in the crosslinking. Glass transition temperature is enhanced by 11.5spC/mol% metal salt with dichlorobisacetonitrile palladium(II). PLYS does not form coordination crosslinks in the presence of the same first-row metal ions. However, thermal and spectral data suggest a metal salts form pendant groups on the polymer chain via the carbonyl oxygen in the backbone. This metal-polymer coordination causes disruption of hydrogen bonding resulting in a decrease in the glass transition temperature with the addition of metal salts. Statistical models illustrate that ligand field stabilization is an important parameter for the prediction of a change in Tg when metal ions are added to the polymer. Statistical models also confirm that the mechanism, which changes Tg and the spectral data in PLYS/metal blends, is different than the mechanism suggested for PHIS and P4VP complexes.

  7. Corroborative cobalt and zinc model compounds of alpha-amino-beta-carboxymuconic-epsilon-semialdehyde decarboxylase (ACMSD).

    PubMed

    Gtjens, Jessica; Mullins, Christopher S; Kampf, Jeff W; Thury, Pierre; Pecoraro, Vincent L

    2009-01-01

    We have synthesised and characterised a series of new Co(II) complexes (1-4, 6, 7) and one new Zn(II) complex (5) employing N(3)- and N(3)O-donor ligands [biap: N,N-bis(2-ethyl-5-methyl-imidazol-4-ylmethyl)amino-propane, KBPZG: potassium N,N-bis(3,5-dimethylpyrazolylmethyl) glycinate, KBPZA: potassium N,N-bis(3,5-dimethylpyrazolylmethyl) alaninate, KB(i)PrPZG: potassium N,N-bis(3,5-di-iso-propylpyrazolylmethyl) glycinate, and KB((t)BuM)PZG: potassium N,N-bis(3-methyl-5-tert-butyl-pyrazolylmethyl)glycinate] as structural models of the metalloenzyme alpha-amino-beta-carboxymuconic-epsilon-semialdehyde decarboxylase (ACMSD). These complexes were characterised by several techniques including X-ray crystallographic analysis, X-band EPR, and mass spectrometry (ESI-MS). The crystal structures of 1, 2, 6,7 revealed that they exist as mononuclear Co(II) complexes with trigonal-bipyramidal geometry in the solid state. Compounds 3 and 5 form infinite polymeric chains of Co(II) or Zn(II) complexes, respectively, linked by the pendant carboxylate arms of the BPZG(-) ligand. By comparing the degree of distortion in the penta-coordinate complexes, defined by the Addison-parameter tau, with the value determined for the five-coordinate centres found in the active site of ACMSD, it could be seen that complexes 5 and 7 are very good matches for the geometry of the zinc(II) centre in monomer A of the native enzyme. All complexes could be seen as model compounds for the active site of the enzyme ACMSD, where the Co(II) complexes reflected the structural flexibility found in case of two histidine (His177 and His228) residues found in the active site of the enzyme. PMID:19081971

  8. Does aspartic acid racemization constrain the depth limit of the subsurface biosphere?

    SciTech Connect

    Onstott, T. C.; Aubrey, A.D.; Kieft, T L; Silver, B J; Phelps, Tommy Joe; Van Heerden, E.; Opperman, D. J.; Bada, J L.

    2014-01-01

    Previous studies of the subsurface biosphere have deduced average cellular doubling times of hundreds to thousands of years based upon geochemical models. We have directly constrained the in situ average cellular protein turnover or doubling times for metabolically active micro-organisms based on cellular amino acid abundances, D/L values of cellular aspartic acid, and the in vivo aspartic acid racemization rate. Application of this method to planktonic microbial communities collected from deep fractures in South Africa yielded maximum cellular amino acid turnover times of ~89 years for 1 km depth and 27 C and 1 2 years for 3 km depth and 54 C. The latter turnover times are much shorter than previously estimated cellular turnover times based upon geochemical arguments. The aspartic acid racemization rate at higher temperatures yields cellular protein doubling times that are consistent with the survival times of hyperthermophilic strains and predicts that at temperatures of 85 C, cells must replace proteins every couple of days to maintain enzymatic activity. Such a high maintenance requirement may be the principal limit on the abundance of living micro-organisms in the deep, hot subsurface biosphere, as well as a potential limit on their activity. The measurement of the D/L of aspartic acid in biological samples is a potentially powerful tool for deep, fractured continental and oceanic crustal settings where geochemical models of carbon turnover times are poorly constrained. Experimental observations on the racemization rates of aspartic acid in living thermophiles and hyperthermophiles could test this hypothesis. The development of corrections for cell wall peptides and spores will be required, however, to improve the accuracy of these estimates for environmental samples.

  9. Evidence from Meteorites for Multiple Possible Amino Acid Alphabets for the Origins of Life

    NASA Technical Reports Server (NTRS)

    Burton, A. S.; Elsila, J. E.; Callahan, M. P.; Glavin, D. P.; Dworkin, J. P.

    2015-01-01

    A key question for the origins of life is understanding which amino acids made up the first proteins synthesized during the origins of life. The canonical set of 20 - 22 amino acids used in proteins are all alpha-amino, alpha-hydrogen isomers that, nevertheless, show considerable variability in properties including size, hydrophobicity, and ionizability. Abiotic amino acid synthesis experiments such as Miller-Urey spark discharge reactions produce a set of up to 23 amino acids, depending on starting materials and reaction conditions, with significant abundances of both alpha- and non-alpha-amino acid isomers. These two sets of amino acids do not completely overlap; of the 23 spark discharge amino acids, only 11 are used in modern proteins. Furthermore, because our understanding of conditions on the early Earth are limited, it is unclear which set(s) of conditions employed in spark discharge or hydrothermal reactions are correct, leaving us with significant uncertainty about the amino acid alphabet available for the origins of life on Earth. Meteorites, the surviving remnants of asteroids and comets that fall to the Earth, offer the potential to study authentic samples of naturally-occurring abiotic chemistry, and thus can provide an alternative approach to constraining the amino acid library during the origins of life.

  10. Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides as Tools for Structural Tuning of Nucleic Acids

    PubMed Central

    Catana, Dan-Andrei; Renard, Brice-Loïc; Maturano, Marie; Payrastre, Corinne; Tarrat, Nathalie; Escudier, Jean-Marc

    2012-01-01

    We describe a rational approach devoted to modulate the sugar-phosphate backbone geometry of nucleic acids. Constraints were generated by connecting one oxygen of the phosphate group to a carbon of the sugar moiety. The so-called dioxaphosphorinane rings were introduced at key positions along the sugar-phosphate backbone allowing the control of the six-torsion angles α to ζ defining the polymer structure. The syntheses of all the members of the D-CNA family are described, and we emphasize the effect on secondary structure stabilization of a couple of diastereoisomers of α,β-D-CNA exhibiting wether B-type canonical values or not. PMID:23150809

  11. Functionalization of aromatic amino acids via direct C-H activation: generation of versatile building blocks for accessing novel peptide space.

    PubMed

    Meyer, Falco-Magnus; Liras, Spiros; Guzman-Perez, Angel; Perreault, Christian; Bian, Jianwei; James, Keith

    2010-09-01

    Functionalized alpha-amino acid building blocks have been prepared in good yield with high regiocontrol and preservation of stereochemistry via iridium-catalyzed borylation of suitably protected aromatic alpha-amino acid derivatives. The utility of these systems in peptide couplings and Suzuki reactions has been demonstrated. PMID:20695449

  12. Conformational studies of ?-turn in pseudopeptides containing ?-amino acid and conformationally constrained meta amino benzoic acid/meta nitro aniline

    NASA Astrophysics Data System (ADS)

    Dutt Konar, Anita

    2013-03-01

    Reverse turns (commonly ?-turns and ?-turns), a common motif in proteins and peptides, have attracted attention due to their relevance in a wide variety of biological processes. In an attempt to artificially imitate and stabilize these turns in short acyclic peptides, a series of N-terminally protected pseudopeptides comprising of an ?-amino acid and conformationally constrained meta amino benzoic acid (mABA)/meta nitro aniline (mNA) (peptides I-VI) have been synthesized. The molecules were well characterized by various spectroscopic techniques and subjected to a systematic conformational analysis. Our experimental results reveal that only pseudopeptides I and II with methyl as the sidechain, tertiary butyloxy carbonyl as the N-terminal protecting group and (mABA)/(mNA) at the C-terminus adopt ?-turn conformations in solid state as well as in solution. Even slight modification of any of the stated conditions donot support the formation of this ?-turn architecture in the solid state. Interestingly, the peptides III-V which displays extended conformation in solid state forms ?-turn structure in solution. Thus this result reflects the importance of co-operative steric interactions amongst various amino acid residues in stabilizing a particular conformation in peptides in different phases (solid and solution). This report may open a new avenue in introducing ?-turn motifs within the bioactive conformation of selected peptides.

  13. Bifunctional mechanism of catalysis in reactions leading to formation of /alpha/-amino ketones

    SciTech Connect

    Popov, A.F.; Anikeev, A.V.

    1988-10-20

    The kinetics of the reaction of /alpha/-bromoacetophenone and benzyl bromide with aniline and pyridine in the presence of additions of acetic acid and phenol in benzene at 30/degree/C were investigated. The catalytic effects due to the activity of the uncombined forms of the catalyst, their dimers, and their 1:1 complexes with the amines were separated quantitatively. The change in the catalytic activity of the respective particles in the solutions with variation in the structure of the reagents is examined, and possible mechanisms for the catalytic reactions are discussed on this basis. It is concluded that there is a bifunctional mechanism of catalysis by acetic acid in the reaction of /alpha/-bromoacetophenone with aniline.

  14. Thiopeptide synthesis. {alpha}-amino thionoacid derivatives of nitrobenzotriazole as thioacylating agents

    SciTech Connect

    Shalaby, M.A.; Grote, C.W.; Rapoport, H.

    1996-12-13

    There has been considerable interest recently in the synthesis and properties of thiopeptides in which the -CSNH- group replaces one or more peptide bonds. These modified peptides have demonstrated increased activity in vivo as biological response modifiers, neuro-effectors, and immunomodulators due to the stability of their thioamide bonds toward enzymatic degradation as compared to that of their oxygenated counterpart. Synthetic routes employed to prepare these thiopeptides included replacement of oxygen by sulfur using P{sub 4}S{sub 10} or Lawesson`s phosphetane disulfide reagent, and thioesters or dithioesters of N-protected amino acids. Several procedures also have been reported for monothionation of peptides using N-protected amino monothioacids and benzotriazolyloxytris(pyrrolidino) phosphonium hexafluorophosphate (PYBOP) and some of its derivatives. Unfortunately, these methods displayed lack of reaction site specificity, low yields and purity because of side reactions, and loss of enantiomeric integrity in the final product, apparently because of racemization induced by the thioacylating agents. Recently, major improvement was described for the site specific incorporation of thioamide linkages into a growing peptide under mild conditions using thioacylbenzimidazolinones of amino acid derivatives as thioacylating agents. This method proceeds with about 2% loss of enantiomeric purity, as demonstrated by HPLC analysis of the reaction product 10a, formed in reaction with {alpha}-methylbenzylamine. This procedure, although superior to previous methods, still suffers from the formation of benzimidazole 2 as a significant byproduct, and the overall yield for the four-step process was only about 20%. Furthermore, recent attempt to use this procedure failed due to the limited reactivity of the benzimidazolinone 4 as a thioacylating agent. To overcome these limitations, the authors have developed a new method for thiopeptide synthesis. 12 refs.

  15. The determination of the substitution achieved at the alpha-amino, epsilon-amino and imidazole groups of proteins with special reference to derivatives of gelatin.

    PubMed

    Leach, A A

    1966-02-01

    1. The diminution of the quantity of pigment formed in the ninhydrin colorimetric reaction or the titre in two types of formol titration of a protein after substitution is used to determine the degree of substitution achieved at the various amino groups of a protein. 2. The determination of the substitution achieved at alpha-amino plus in-amino groups by the ninhydrin colorimetric method as described by Cobbett, Gibbs & Leach (1964) has been modified to correct for the hydrolysis of the peptide chain which takes place during colour development. 3. The degree of substitution at the in-amino groups was determined by the formol titration carried out at pH9, essentially as described by the above authors. 4. Substitution at the alpha-amino plus in-amino plus imidazole groups was determined from the diminution of the titre of a modified formol titration. This titration was carried out by adjusting the protein solution to pH6.5 followed by the addition of formaldehyde and then titrating to pH9.0. 5. The three methods have been applied to carbamoylated and benzenesulphonylated gelatin derivatives. The values for the degrees of substitution obtained by the ninhydrin (alpha-amino plus in-amino) and the formol (pH9.0, in-amino) methods were shown to be almost identical. The values from the formol (pH6.5-9.0, alpha-amino plus in-amino plus imidazole) titration were consistently lower than the values obtained by the other methods and corresponded to no substitution having taken place at the imidazole groups by the preparative methods employed. 6. The application of the methods to other protein systems is discussed. PMID:5941344

  16. Thermospray liquid chromatography/mass spectrometry study of diastereomeric isoindole derivatives of amino acids and amino acid amides.

    PubMed

    van Leuken, R G; Duchateau, A L; Kwakkenbos, G T

    1995-11-01

    A thermospray liquid chromatography/mass spectrometry (TSP-LC/MS) method is described for determination of the enantiomeric excess of alpha-amino acids and alpha-amino acid amides as their o-phthalaldehyde/N-acetyl-L-cysteine (OPA/NAC) derivatives. The source temperature is an important factor in optimizing the sensitivity of the TSP-LC/MS analysis, whereas the repeller voltage is of minor importance. On-column mass spectra were acquired for the OPA/NAC derivatives of several alpha-amino acids and alpha-amino acid amides. For the main fragment ions, mass spectra fragmentation pathways are proposed. The applicability of the method is demonstrated by means of the enantiomeric excess determination of valine in a sample from an enzymatic hydrolysis experiment. Using single ion monitoring, the detection limit of D-valine in the presence of excess L-valine is 10 pmol. The present TSP-LC/MS method is useful for validating the results obtained from LC/UV or LC/fluorescence methods for the enantiomeric excess determination of alpha-amino acids and alpha-amino acid amides. PMID:8788130

  17. Evidence for a Dual Role of an Active Site Histidine in [alpha]-Amino-[beta]-carboxymuconate-[epsilon]-semialdehyde Decarboxylase

    SciTech Connect

    Huo, Lu; Fielding, Andrew J.; Chen, Yan; Li, Tingfeng; Iwaki, Hiroaki; Hosler, Jonathan P.; Chen, Lirong; Hasegawa, Yoshie; Que, Jr., Lawrence; Liu, Aimin

    2012-10-09

    The previously reported crystal structures of {alpha}-amino-{beta}-carboxymuconate-{epsilon}-semialdehyde decarboxylase (ACMSD) show a five-coordinate Zn(II)(His){sub 3}(Asp)(OH{sub 2}) active site. The water ligand is H-bonded to a conserved His228 residue adjacent to the metal center in ACMSD from Pseudomonas fluorescens (PfACMSD). Site-directed mutagenesis of His228 to tyrosine and glycine in this study results in a complete or significant loss of activity. Metal analysis shows that H228Y and H228G contain iron rather than zinc, indicating that this residue plays a role in the metal selectivity of the protein. As-isolated H228Y displays a blue color, which is not seen in wild-type ACMSD. Quinone staining and resonance Raman analyses indicate that the blue color originates from Fe(III)-tyrosinate ligand-to-metal charge transfer. Co(II)-substituted H228Y ACMSD is brown in color and exhibits an electron paramagnetic resonance spectrum showing a high-spin Co(II) center with a well-resolved {sup 59}Co (I = 7/2) eight-line hyperfine splitting pattern. The X-ray crystal structures of as-isolated Fe-H228Y (2.8 {angstrom}) and Co-substituted (2.4 {angstrom}) and Zn-substituted H228Y (2.0 {angstrom} resolution) support the spectroscopic assignment of metal ligation of the Tyr228 residue. The crystal structure of Zn-H228G (2.6 {angstrom}) was also determined. These four structures show that the water ligand present in WT Zn-ACMSD is either missing (Fe-H228Y, Co-H228Y, and Zn-H228G) or disrupted (Zn-H228Y) in response to the His228 mutation. Together, these results highlight the importance of His228 for PfACMSD's metal specificity as well as maintaining a water molecule as a ligand of the metal center. His228 is thus proposed to play a role in activating the metal-bound water ligand for subsequent nucleophilic attack on the substrate.

  18. Laboratory and field measurements to constrain atmospheric sources of acetic and formic acids

    NASA Astrophysics Data System (ADS)

    Baasandorj, M.; Hu, L.; Mitroo, D.; Martinez, R.; Walker, M.; Williams, B. J.; Millet, D. B.

    2013-12-01

    Acetic and formic acids are the most abundant organic acids in the atmosphere. They play an important role in atmospheric aqueous chemistry as they can influence the acidity of precipitation, cloud droplets, and atmospheric aerosols. Sources of these acids are highly uncertain, but include secondary production from VOC oxidation, direct emissions, and possibly organic aerosol aging. Here we present measurements of formic and acetic acid, along with a suite of other gas and particle phase species, from a field study in St. Louis during summer 2013. Calibration procedures and results are discussed, and we interpret the ambient formic and acetic acid measurements in terms of patterns of variability and implied constraints on sources. Finally, we present results from oxidative aging experiments on both ambient and test organic aerosol designed to assess the importance of this mechanism as a source of gas-phase carboxylic acids.

  19. Direct chromatographic enantioresolution of fully constrained ?-amino acids: exploring the use of high-molecular weight chiral selectors.

    PubMed

    Sardella, Roccaldo; Ianni, Federica; Lisanti, Antonella; Scorzoni, Stefania; Marini, Francesca; Sternativo, Silvia; Natalini, Benedetto

    2014-05-01

    To the best of our knowledge enantioselective chromatographic protocols on ?-amino acids with polysaccharide-based chiral stationary phases (CSPs) have not yet appeared in the literature. Therefore, the primary objective of this work was the development of chromatographic methods based on the use of an amylose derivative CSP (Lux Amylose-2), enabling the direct normal-phase (NP) enantioresolution of four fully constrained ?-amino acids. Also, the results obtained with the glycopeptide-type Chirobiotic T column employed in the usual polar-ionic (PI) mode of elution are compared with those achieved with the polysaccharide-based phase. The Lux Amylose-2 column, in combination with alkyl sulfonic acid containing NP eluent systems, prevailed over the Chirobiotic T one, when used under the PI mode of elution, and hence can be considered as the elective choice for the enantioseparation of this class of rigid ?-amino acids. Moreover, the extraordinarily high ? (up to 4.60) and R S (up to 10.60) values provided by the polysaccharidic polymer, especially when used with camphor sulfonic acid containing eluent systems, make it also suitable for preparative-scale enantioisolations. PMID:24500113

  20. Poly(ethylene-co-acrylic acid) stationary phases for the separation of shape-constrained isomers.

    PubMed

    Wegmann, J; Albert, K; Pursch, M; Sander, L C

    2001-04-15

    A new approach for the synthesis of long alkyl chain length stationary phases for use in reversed-phase liquid chromatography is described. Poly(ethylene-co-acrylic acid) copolymers (i.e., (-CH2CH2-)x[CH2CH(CO2H)-]y) with different levels of acrylic acid were covalently bonded to silica via glycidoxypropyl or aminopropyl linkages. 13C cross polarization magic angle spinning (CP/MAS) nuclear magnetic resonance (NMR) spectroscopy was used to characterize the new reversed-phase materials. Aspects of shape selectivity were evaluated for six different columns with Standard Reference Material (SRM) 869a, Column Selectivity Test Mixture for Liquid Chromatography. Selectivity for isomer separations was enhanced for stationary phases prepared with poly(ethylene-co-acrylic acid) containing a mass fraction of 5% acrylic acid. The relationship between alkyl conformation and chromatographic properties was studied by 13C magic angle spinning (MAS) NMR measurements, and correlations were made with the composition of the polymer. Finally, the effectiveness of this phase is demonstrated by the separation of several beta-carotene isomers. PMID:11338596

  1. Design and synthesis of conformationally constrained analogues of cis-cinnamic acid and evaluation of their plant growth inhibitory activity.

    PubMed

    Nishikawa, Keisuke; Fukuda, Hiroshi; Abe, Masato; Nakanishi, Kazunari; Tazawa, Yuta; Yamaguchi, Chihiro; Hiradate, Syuntaro; Fujii, Yoshiharu; Okuda, Katsuhiro; Shindo, Mitsuru

    2013-12-01

    1-O-cis-Cinnamoyl-?-D-glucopyranose is known to be one of the most potent allelochemical candidates and was isolated from Spiraea thunbergii Sieb by Hiradate et al. (2004), who suggested that it derived its strong inhibitory activity from cis-cinnamic acid, which is crucial for phytotoxicity. In this study, key structural features and substituent effects of cis-cinnamic acid (cis-CA) on lettuce root growth inhibition was investigated. These structure-activity relationship studies indicated the importance of the spatial relationship of the aromatic ring and carboxylic acid moieties. In this context, conformationally constrained cis-CA analogues, in which the aromatic ring and cis-olefin were connected by a carbon bridge, were designed, synthesized, and evaluated as plant growth inhibitors. The results of the present study demonstrated that the inhibitory activities of the five-membered and six-membered bridged compounds were enhanced, up to 0.27 ?M, and were ten times higher than cis-CA, while the potency of the other compounds was reduced. PMID:24176527

  2. Discovery of Azetidinone Acids as Conformationally-Constrained Dual PPARalpha/gamma Agonists

    SciTech Connect

    Wang, W.; Devasthale, P; Farrelly, D; Gu, L; Harrity, T; Cap, M; Chu, C; Kunselman, L; Morgan, N; et. al.

    2008-01-01

    A novel class of azetidinone acid-derived dual PPAR{alpha}/{gamma} agonists has been synthesized for the treatment of diabetes and dyslipidemia. The preferred stereochemistry in this series for binding and functional agonist activity against both PPARa and PPAR? receptors was shown to be 3S,4S. Synthesis, in vitro and in vivo activities of compounds in this series are described. A high-yielding method for N-arylation of azetidinone esters is also described.

  3. Strict reagent control in the asymmetric allylboration of N-TIPS-alpha-amino aldehydes with the B-allyl-10-TMS-9-borabicyclo[3.3.2]decanes.

    PubMed

    Soto-Cairoli, Buddy; Soderquist, John A

    2009-01-15

    The allylboration of enantiomerically pure N-triisopropylsilyl-alpha-amino aldehydes (2) with B-allyl-10-trimethylsilyl-9-borabicyclo[3.3.2]decanes (1) proceeds cleanly at -78 degrees C, exhibiting essentially complete reagent control. After an oxidative workup, an HOAc-mediated N-->O TIPS rearrangement facilitates the clean formation of stable O-TIPS protected beta-amino alcohol derivatives 3 which are isolated in 60-83% yields in > or = 96% de and > 99% ee. For the leucinal series (R = i-Bu), an efficient entry to either statine (8aSS) or epi-statine (8aRS) is reported illustrating the versatility of this potent 1/2 combination. PMID:19128190

  4. Ibotenic acid analogues. Synthesis, molecular flexibility, and in vitro activity of agonists and antagonists at central glutamic acid receptors.

    PubMed

    Lauridsen, J; Honor, T; Krogsgaard-Larsen, P

    1985-05-01

    The syntheses of (RS)-alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionic acid (9, ATPA), (alpha-RS, beta-RS)-alpha-amino-beta-methyl-3-hydroxy-5-isoxazolepropionic acid (8), (RS)-alpha-amino-3-hydroxy-5-isoxazolebutyric acid (15a), and (RS)-alpha-amino-3-hydroxy-5-isoxazolevaleric acid (15b) are described. The compounds were tested in vitro together with (RS)-alpha-amino-3-hydroxy-5-(bromomethyl)-4-isoxazolepropionic acid (ABPA) as inhibitors of the binding of radioactive-labeled (RS)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) to rat brain synaptic membranes. These data were compared with the earlier reported effects of the compounds on single neurons in the feline spinal cord obtained by microelectrophoretic techniques. The three compounds AMPA, ATPA, and ABPA are agonists at the class of receptors assumed to represent a subtype of physiological (S)-glutamic acid (Glu) receptors. Inhibition of [3H]AMPA binding by ATPA was 1 order of magnitude weaker than that of AMPA, in agreement with the relative potency of these compounds in vivo. ABPA proved to be equipotent with AMPA both as an inhibitor of AMPA binding and as a neuronal excitant. The compounds 8, 15a, and 15b have no effect as inhibitors of AMPA binding, in agreement with in vivo studies that have shown that 8 does not affect the firing of central neurons whereas 15a and 15b are antagonists at NMDA receptors, a subpopulation of excitatory receptors not affected by AMPA. Molecular mechanical calculations on AMPA, ATPA, and ABPA using the program MM2 showed that conformations of AMPA, ABPA, and especially ATPA by rotation of the amino acid side chain have energy barriers. A possible receptor-active conformation is suggested. PMID:2859375

  5. Facilitation of alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate receptor transmission in the suprachiasmatic nucleus by aniracetam enhances photic responses of the biological clock in rodents.

    PubMed

    Moriya, Takahiro; Ikeda, Masayuki; Teshima, Koji; Hara, Reiko; Kuriyama, Koji; Yoshioka, Tohru; Allen, Charles N; Shibata, Shigenobu

    2003-05-01

    This study was designed to test whether the alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate (AMPA) receptor-facilitating drug, aniracetam, could potentiate photic responses of the biological clock in the suprachiasmatic nucleus (SCN) of rodents. Using the whole-cell patch technique, we first demonstrated that AMPA currents elicited by either local AMPA application or optic chiasm stimulation were augmented by aniracetam in the neurons of the SCN. The AMPA application-elicited increase of intracellular Ca2+ concentration in SCN slices was also enhanced by aniracetam treatment. The systemic injection of aniracetam dose-dependently (10-100 mg/kg) potentiated the phase delay in behavioral rhythm induced by brief light exposure of low intensity (3 lux) but not high intensity (10 or 60 lux) during early subjective night. Under the blockade of NMDA receptors by (+) MK801, aniracetam failed to potentiate a light (3 lux)-induced phase delay in behavioral rhythm. Aniracetam increased the photic induction of c-Fos protein in the SCN that was elicited by low intensity light exposure (3 lux). These results suggest that AMPA receptor-mediated responses facilitated by aniracetam can explain enhanced photic responses of the biological clock in the SCN of rodents. PMID:12716429

  6. Piracetam defines a new binding site for allosteric modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors.

    PubMed

    Ahmed, Ahmed H; Oswald, Robert E

    2010-03-11

    Glutamate receptors are the most prevalent excitatory neurotransmitter receptors in the vertebrate central nervous system and are important potential drug targets for cognitive enhancement and the treatment of schizophrenia. Allosteric modulators of AMPA receptors promote dimerization by binding to a dimer interface and reducing desensitization and deactivation. The pyrrolidine allosteric modulators, piracetam and aniracetam, were among the first of this class of drugs to be discovered. We have determined the structure of the ligand binding domain of the AMPA receptor subtypes GluA2 and GluA3 with piracetam and a corresponding structure of GluA3 with aniracetam. Both drugs bind to GluA2 and GluA3 in a very similar manner, suggesting little subunit specificity. However, the binding sites for piracetam and aniracetam differ considerably. Aniracetam binds to a symmetrical site at the center of the dimer interface. Piracetam binds to multiple sites along the dimer interface with low occupation, one of which is a unique binding site for potential allosteric modulators. This new site may be of importance in the design of new allosteric regulators. PMID:20163115

  7. The Southern Ocean silicon trap: Data-constrained estimates of regenerated silicic acid, trapping efficiencies, and global transport paths

    NASA Astrophysics Data System (ADS)

    Holzer, Mark; Primeau, Franois W.; DeVries, Timothy; Matear, Richard

    2014-01-01

    We analyze an optimized model of the global silicon cycle embedded in a data-assimilated steady ocean circulation. Biological uptake is modeled by conditionally restoring silicic acid in the euphotic zone to observed concentrations where the modeled concentrations exceed the observational climatology. An equivalent linear model is formulated to which Green-function-based transport diagnostics are applied. We find that the models' opal export through 133 m depth is 166 24 Tmol Si/yr, with the Southern Ocean (SO) providing 70% of this export, 50% of which dissolves above 2000 m depth. The global-scale gradients of the opal dissolution rate are primarily meridional, while the global-scale gradients of phosphate remineralization are primarily vertical. The mean depth of the temperature-dependent silicic-acid regeneration reaches 2300 m in the SO, compared to 600 m for phosphate remineralization. Silicic acid is stripped out of the euphotic zone far more efficiently than phosphate, with only (34 5)% of the global silicic-acid inventory being preformed, compared to (61 7)% for phosphate. Subantarctic and tropical waters contribute most of the ocean's regenerated silicic acid, while Antarctic waters provide most of the preformed silicic acid. About half of the global silicic-acid inventory is trapped in transport paths connecting successive SO utilizations, with silicic acid last utilized in the SO having only a (5 2)% chance of being next utilized outside the SO. This trapping depletes subantarctic mode waters of silicic acid relative to phosphate, which has a (44 2)% probability of escaping successive SO utilization.

  8. Constrained poststratification.

    PubMed

    Moise, A; Salamon, R; Raissis, M; Nanopoulos, P; Clement, B

    1986-08-01

    Adjustment for covariates (or poststratification) is frequently used in the analysis of randomized clinical trials. The purpose of such analysis is mainly to eliminate some residual bias resulting from any imbalance between treatment groups for some important covariates. Usually, covariate effect is modeled with the data at hand. In this paper, we present a new method of poststratification ("constrained poststratification") which consists of estimating the prognostic significance of covariates in a large historical data base, transferring the model's coefficients into the (smaller) randomized trial data set, and estimating treatment effects conditional on this a priori information. In a simulated experiment, constrained poststratification allowed not only reduction of the bias but also enhancement of the efficiency of the estimation of treatment effect. PMID:3731761

  9. Phosphate Stability in Diagenetic Fluids Constrains the Acidic Alteration Model for Lower Mt. Sharp Sedimentary Rocks in Gale Crater, Mars

    NASA Technical Reports Server (NTRS)

    Berger, J. A.; Schmidt, M. E.; Izawa, M. R. M.; Gellert, R.; Ming, D. W.; Rampe, E. B.; VanBommel, S. J.; McAdam, A. C.

    2016-01-01

    The Mars rover Curiosity has encountered silica-enriched bedrock (as strata and as veins and associated halos of alteration) in the largely basaltic Murray Fm. of Mt. Sharp in Gale Crater. Alpha Particle X-ray Spectrometer (APXS) investigations of the Murray Fm. revealed decreasing Mg, Ca, Mn, Fe, and Al, and higher S, as silica increased (Fig. 1). A positive correlation between SiO2 and TiO2 (up to 74.4 and 1.7 wt %, respectively) suggests that these two insoluble elements were retained while acidic fluids leached more soluble elements. Other evidence also supports a silica-retaining, acidic alteration model for the Murray Fm., including low trace element abundances consistent with leaching, and the presence of opaline silica and jarosite determined by CheMin. Phosphate stability is a key component of this model because PO4 3- is typically soluble in acidic water and is likely a mobile ion in diagenetic fluids (pH less than 5). However, the Murray rocks are not leached of P; they have variable P2O5 (Fig. 1) ranging from average Mars (0.9 wt%) up to the highest values in Gale Crater (2.5 wt%). Here we evaluate APXS measurements of Murray Fm. bedrock and veins with respect to phosphate stability in acidic fluids as a test of the acidic alteration model for the Lower Mt. Sharp rocks.

  10. Presynaptic alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate receptor-mediated stimulation of glutamate and GABA release in the rat striatum in vivo: a dual-label microdialysis study.

    PubMed

    Patel, D R; Young, A M; Croucher, M J

    2001-01-01

    The existence of presynaptic alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate (AMPA)-type glutamate autoreceptors on glutamate nerve terminals in vitro has recently been demonstrated using synaptosomal and brain slice preparations. In the present study we have used a modification of a rapid dual-label intracerebral microdialysis method, previously developed by Young and co-workers(80,81) for the study of presynaptic mechanisms of neurotransmitter release, to investigate whether presynaptic AMPA receptors also play a role in the control of striatal glutamate release in vivo. For comparative purposes, the action of locally applied AMPA on striatal GABA release in vivo was also monitored. Local application of AMPA (0.01-100 microM), by reverse dialysis, into the striatum resulted in concentration-dependent increases in the Ca(2+)-dependent efflux of both [3H]L-glutamate and [14C]GABA. Maximum responses reached 142.0+/-6.5% and 166.8+/-7.7% of basal efflux for [3H]L-glutamate and [14C]GABA, respectively. No marked behavioural changes were observed at any dose of the agonist. Unexpectedly, the AMPA-evoked responses were not potentiated by the AMPA receptor desensitization inhibitors cyclothiazide (10-100microM) or aniracetam (1mM). Consistent with this finding, AMPA-stimulated [3H]L-glutamate and [14C]GABA efflux were significantly attenuated by co-perfusion with the selective, competitive AMPA receptor antagonist 6-nitro-7-sulphamoylbenzo(F)quinoxaline-2,3-dione (100microM) but not 1-(aminophenyl)-4-methyl-7,8-methylendioxy-5H-2,3-benzodiazepine (100microM), a non-competitive AMPA receptor antagonist known to interact with the cyclothiazide site to control AMPA receptor function. The broad spectrum ionotropic glutamate receptor antagonist, kynurenic acid (100-1000microM) also markedly inhibited the AMPA-evoked responses in the striatum in vivo. None of the antagonists, when given alone, influenced basal efflux of [3H]L-glutamate suggesting a lack of tonic regulatory control of glutamate release via presynaptic AMPA-type autoreceptors in the rat striatum. These results demonstrate the presence of presynaptic AMPA receptors, of a novel cyclothiazide- and aniracetam-insensitive subtype, on presynaptic nerve terminals in the rat striatum in vivo, acting to enhance glutamate and GABA release. Our data support the concept of AMPA receptor heterogeneity in vivo, a finding which may facilitate the development of novel, more selective drugs for the treatment of a range of neurological disorders associated with abnormal cerebral glutamate release. The pharmacological profile of these novel presynaptic receptors is currently under investigation. PMID:11226673

  11. Design of novel neurokinin 1 receptor antagonists based on conformationally constrained aromatic amino acids and discovery of a potent chimeric opioid agonist-neurokinin 1 receptor antagonist.

    PubMed

    Ballet, Steven; Feytens, Debby; Buysse, Koen; Chung, Nga N; Lemieux, Carole; Tumati, Suneeta; Keresztes, Attila; Van Duppen, Joost; Lai, Josephine; Varga, Eva; Porreca, Frank; Schiller, Peter W; Vanden Broeck, Jozef; Tourw, Dirk

    2011-04-14

    A screening of conformationally constrained aromatic amino acids as base cores for the preparation of new NK1 receptor antagonists resulted in the discovery of three new NK1 receptor antagonists, 19 [Ac-Aba-Gly-NH-3',5'-(CF(3))(2)-Bn], 20 [Ac-Aba-Gly-NMe-3',5'-(CF(3))(2)-Bn], and 23 [Ac-Tic-NMe-3',5'-(CF(3))(2)-Bn], which were able to counteract the agonist effect of substance P, the endogenous ligand of NK1R. The most active NK1 antagonist of the series, 20 [Ac-Aba-Gly-NMe-3',5'-(CF(3))(2)-Bn], was then used in the design of a novel, potent chimeric opioid agonist-NK1 receptor antagonist, 35 [Dmt-D-Arg-Aba-Gly-NMe-3',5'-(CF(3))(2)-Bn], which combines the N terminus of the established Dmt(1)-DALDA agonist opioid pharmacophore (H-Dmt-D-Arg-Phe-Lys-NH(2)) and 20, the NK1R ligand. The opioid component of the chimeric compound 35, that is, Dmt-D-Arg-Aba-Gly-NH(2) (36), also proved to be an extremely potent and balanced ? and ? opioid receptor agonist with subnanomolar binding and in vitro functional activity. PMID:21413804

  12. Reasons for the occurrence of the twenty coded protein amino acids

    NASA Technical Reports Server (NTRS)

    Weber, A. L.; Miller, S. L.

    1981-01-01

    Factors involved in the selection of the 20 protein L-alpha-amino acids during chemical evolution and the early stages of Darwinian evolution are discussed. The selection is considered on the basis of the availability in the primitive ocean, function in proteins, the stability of the amino acid and its peptides, stability to racemization, and stability on the transfer RNA. It is concluded that aspartic acid, glutamic acid, arginine, lysine, serine and possibly threonine are the best choices for acidic, basic and hydroxy amino acids. The hydrophobic amino acids are reasonable choices, except for the puzzling absences of alpha-amino-n-butyric acid, norvaline and norleucine. The choices of the sulfur and aromatic amino acids seem reasonable, but are not compelling. Asparagine and glutamine are apparently not primitive. If life were to arise on another planet, it would be expected that the catalysts would be poly-alpha-amino acids and that about 75% of the amino acids would be the same as on the earth.

  13. Carboxylic Acids as Indicators of Parent Body Conditions

    NASA Technical Reports Server (NTRS)

    Lerner N. R.; Chang, Sherwood (Technical Monitor)

    1995-01-01

    Alpha-hydroxy and alpha-amino carboxylic acids found on the Murchison meteorite are deuterium enriched. It is postulated that they arose from a common interstellar scurce: the reaction of carbonyl compounds in an aqueous mixture containing HCN and NH3. Carbonyl compounds react with HCN to form alpha-hydroxy nitriles, RR'CO + HCN right and left arrow RR'C(OH)CN. If ammonia is also present, the alpha-hydroxy nitriles will exist in equilibrium with the alpha-amino nitriles, RR'C(OH)CN + NH3 right and left arrow - RRCNH2CN + H2O. Both nitrites are hydrolyzed by water to form carboxylic acids: RR'C(OH)CN + H2O yields RR'C(OH)CO2H and RR'C(NH2)CN + H2O yields RR'C(NH2)CO2H.

  14. Enantioselective synthesis of non-natural amino acids using phenylalanine dehydrogenases modified by site-directed mutagenesis.

    PubMed

    Busca, Patricia; Paradisi, Francesca; Moynihan, Eamonn; Maguire, Anita R; Engel, Paul C

    2004-09-21

    The substrate scope of three mutants of phenylalanine dehydrogenase as biocatalysts for the transformation of a series of 2-oxo acids, structurally related to phenylpyruvic acid, to the analogous alpha-amino acids, non-natural analogues of phenylalanine, has been investigated. The mutant enzymes are more tolerant than the wild type enzyme of the non-natural substrates, especially those with substituents at the 4-position on the phenyl ring. Excellent enantiocontrol resulted in all cases. PMID:15351834

  15. Polymerization of beta-amino acids in aqueous solution

    NASA Technical Reports Server (NTRS)

    Liu, R.; Orgel, L. E.; Bada, J. L. (Principal Investigator)

    1998-01-01

    We have compared carbonyl diimidazole (CDI) and 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDAC) as activating agents for the oligomerization of negatively-charged alpha- and beta-amino acids in homogeneous aqueous solution. alpha-Amino acids can be oligomerized efficiently using CDI, but not by EDAC. beta-Amino acids can be oligomerized efficiently using EDAC, but not by CDI. Aspartic acid, an alpha- and beta-dicarboxylic acid is oligomerized efficiently by both reagents. These results are explained in terms of the mechanisms of the reactions, and their relevance to prebiotic chemistry is discussed.

  16. Deuterium Enrichment of Amino and Hydroxy Acids Found in the Murchison Meteorite: Constraints on Parent Body Conditions

    NASA Technical Reports Server (NTRS)

    Lerner, Narcinda R.; Chang, Sherwood (Technical Monitor)

    1997-01-01

    The alpha-amino and alpha-hydroxy acids found in the Murchison carbonaceous chondrite are deuterium enriched. These compounds are thought to have originated from common deuterium enriched carbonyl precursors, by way of a Strecker synthesis which took place in a solution of HCN, NH3, and carbonyl compounds during the period of aqueous alteration of the meteorite parent body. However, the hydroxy acids found on Murchison are less deuterium enriched than the amino acids. With the objective of determining if the discrepancy in deuterium enrichment between the amino acids and the hydroxy acids found on Murchison is consistent with their formation in a Strecker synthesis, we have measured the deuterium content of alpha-amino and alpha-hydroxy acids produced in solutions of deuterated carbonyl compounds, KCN and NH4Cl, and also in mixtures of such solutions and Allende dust at 263 K and 295 K. Retention of the isotopic signature of the starting carbonyl by both alpha amino acids and alpha hydroxy acids is more dependent upon temperature, concentration and pH than upon the presence of meteorite dust in the solution. The constraints these observations place on Murchison parent body conditions will be discussed.

  17. Characterization of a broad-scope amino acid transport system in sand dollars

    SciTech Connect

    Davis, J.P.; Bellis, S.; Stephens, G.C. )

    1988-03-01

    Both echinoderm embryos and adults take up {sup 14}C-labelled-{alpha}-amino acids by an apparent broad-scope transport system. This transporter can be characterized as follows: alanine transport is not blocked by {alpha}-(methylamino)isobutyric acid. Leucine and other lipophilic neutral amino acids are preferentially transported. Transport is sodium dependent and blocked by 2-aminobicyclo-(2,2,1)heptane-2-carboxyclic acid. Lysine and aspartate transport is inhibited by lipophilic neutral amino acids. Taurine, a {beta}-neutral amino acid is translocated via a second and independent carrier.

  18. Amino Acid Chemistry as a Link Between Small Solar System Bodies and Carbonaceous Chondrites

    NASA Technical Reports Server (NTRS)

    Glavin, Daniel P.; Ehrenfreund, Pascale; Botta, Oliver; Cooper, George; Bada, Jeffrey L.

    2000-01-01

    Establishing chemical links between meteorites and small solar system bodies, such as comets and asteroids, provides a tool for investigating the processes that occurred during the formation of the solar system. Carbonaceous meteorites are of particular interest, since they may have seeded the early Earth with a variety of prebiotic organic compounds including amino acids, purines and pyrimidines, which are thought to be necessary for the origin of life. Here we report the results of high-performance liquid chromatography (HPLC) based amino acid analyses of the acid-hydrolyzed hot water extracts from pristine interior pieces of the CI carbonaceous chondrites Orgueil and Ivuna and the CM meteorites Murchison and Murray. We found that the CI meteorites Orgueil and Ivuna contained high abundances of beta-alanine and glycine, while only traces of other amino acids like alanine, alpha-amino-n-butryic acid (ABA) and alpha-aminoisobutyric acid (AIB) were detected in these meteorites. Carbon isotopic measurements of beta-alanine and glycine in Orgueil by gas chromatography combustion-isotope ratio mass spectrometry clearly indicate an extraterrestrial origin of these amino acids. The amino acid composition of Orgueil and Ivuna was strikingly different from the CM chondrites Murchison and Murray. The most notable difference was the high relative abundance of B-alanine in Orgueil and Ivuna compared to Murchison and Murray. Furthermore, AIB, which is one of the most abundant amino acids found in Murchison and Murray, was present in only trace amounts in Orgueil and Ivuna. Our amino acid data strongly suggest that the CI meteorites Orgueil and Ivuna came from a different type of parent body than the CM meteorites Murchison and Murray, possibly from an extinct comet. It is generally thought that carbonaceous meteorites are fragments of larger asteroidal bodies delivered via near Earth objects (NEO). Orbital and dynamic studies suggest that both fragments of main belt asteroids and comets replenish the NEO population, therefore extinct comets may contribute up to half of all NEO's. A comparison of an amino acid analysis of a returned NEO sample to CI and CM carbonaceous chondrites would help establish a link between small solar system bodies and meteorites. Based on our amino acid measurements of CI and CM chondrites, amino acid chemistry can be included as an additional set of criteria to constrain the nature of meteorite parent bodies.

  19. Constraining Galileon inflation

    SciTech Connect

    Regan, Donough; Anderson, Gemma J.; Hull, Matthew; Seery, David E-mail: G.Anderson@sussex.ac.uk E-mail: D.Seery@sussex.ac.uk

    2015-02-01

    In this short paper, we present constraints on the Galileon inflationary model from the CMB bispectrum. We employ a principal-component analysis of the independent degrees of freedom constrained by data and apply this to the WMAP 9-year data to constrain the free parameters of the model. A simple Bayesian comparison establishes that support for the Galileon model from bispectrum data is at best weak.

  20. Unusual temperature-induced retention behavior of constrained β-amino acid enantiomers on the zwitterionic chiral stationary phases ZWIX(+) and ZWIX(-).

    PubMed

    Ilisz, István; Pataj, Zoltán; Gecse, Zsanett; Szakonyi, Zsolt; Fülöp, Ferenc; Lindner, Wolfgang; Péter, Antal

    2014-08-01

    The effects of temperature on the chiral recognition of cyclic β-amino acid enantiomers on zwitterionic [Chiralpak ZWIX(+) and ZWIX(-)] chiral stationary phases were investigated. Experiments were performed at different mobile phase compositions and under 10°C column temperature increments in the temperature range 10-50°C. Apparent thermodynamic parameters and T(iso) values were calculated from plots of ln k and ln α versus 1/T, respectively. Unusual temperature behavior was observed, especially on the ZWIX(-) column, where the application of MeOH/MeCN (50/50 v/v) containing 25 mM triethylamine and 50 mM formic acid as mobile phase led to nonlinear van't Hoff plots and increasing retention time with increasing temperature. On both columns, both enthalpically and entropically driven separations were observed. PMID:24839210

  1. Positive modulation of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors reverses sub-chronic PCP-induced deficits in the novel object recognition task in rats.

    PubMed

    Damgaard, Trine; Larsen, Dorrit Bjerg; Hansen, Suzanne L; Grayson, Ben; Neill, Jo C; Plath, Niels

    2010-02-11

    Cognitive deficits are a major clinical unmet need in schizophrenia. The psychotomimetic drug phencyclidine (PCP) is widely applied in rodents to mimic symptoms of schizophrenia, including cognitive deficits. Previous studies have shown that sub-chronic PCP induces an enduring episodic memory deficit in female Lister Hooded rats in the novel object recognition (NOR) task. Here we show that positive modulation of AMPA receptor (AMPAR) mediated glutamate transmission alleviates cognitive deficits induced by sub-chronic PCP treatment. Female Lister hooded rats were treated sub-chronically with either vehicle (0.9% saline) or PCP (2mg/kg two doses per day for 7 days), followed by a 7 days washout period. 30 min prior to the acquisition trial of the NOR task animals were dosed with either vehicle, CX546 (10, 40 or 80 mg/kg) or CX516 (0.5, 2.5, 10, 40 or 80 mg/kg). Our results show that sub-chronic PCP treatment induced a significant decrease in the discrimination index (DI) and both ampakines CX546 and CX516 were able to reverse this disruption of object memory in rats in the novel object recognition task. These data suggest that positive AMPAR modulation may represent a mechanism for treatment of cognitive deficits in schizophrenia. PMID:19822174

  2. Phylogenies Constrained by the Crossover Process as Illustrated by Human Hemoglobins and a Thirteen-Cycle, Eleven-Amino-Acid Repeat in Human Apolipoprotein a-I

    PubMed Central

    Fitch, Walter M.

    1977-01-01

    Examination of human apolipoprotein A-I revealed a segment of eleven amino acids that repeated itself 13 times in succession without any additional intervening amino acids between the beginning of the repeats (amino acid 93) and their end at the carboxyl terminus of the sequence. The segments are not identical, but the pattern of their physical and chemical properties is highly conserved. The pattern is shown to be suitable to the formation of alpha helices with an amphipathic character consistent with the formation of a micellar structure, a process entirely appropriate to the protein's known function in the blood stream as a lipid carrier. The simplest hypothesis to account for repeated segments is a series of unequal crossovers. But such a series implies that some segments are more closely related to each other than they are to others, that is, they have a "phylogenetic" relationship. It is shown that only a small fraction of all possible phylogenies are consistent with a set of segments arising by simple unequal crossing over. Nevertheless, it is shown that the apolipoprotein A-I segments are readily interpretable as the result of simple unequal crossing over. Moreover, the crossover constraint applies with as much force to segments larger than a gene as to segments within a gene, and this is shown to require that the human gamma (Gly) hemoglobin gene lie to the left, rather than to the right, of the other non-alpha human hemoglobin genes, a conclusion for which there is no direct genetic evidence currently available. PMID:892425

  3. Constraining the dark fluid

    SciTech Connect

    Kunz, Martin; Liddle, Andrew R.; Parkinson, David; Gao Changjun

    2009-10-15

    Cosmological observations are normally fit under the assumption that the dark sector can be decomposed into dark matter and dark energy components. However, as long as the probes remain purely gravitational, there is no unique decomposition and observations can only constrain a single dark fluid; this is known as the dark degeneracy. We use observations to directly constrain this dark fluid in a model-independent way, demonstrating, in particular, that the data cannot be fit by a dark fluid with a single constant equation of state. Parametrizing the dark fluid equation of state by a variety of polynomials in the scale factor a, we use current kinematical data to constrain the parameters. While the simplest interpretation of the dark fluid remains that it is comprised of separate dark matter and cosmological constant contributions, our results cover other model types including unified dark energy/matter scenarios.

  4. Choosing health, constrained choices.

    PubMed

    Chee Khoon Chan

    2009-12-01

    In parallel with the neo-liberal retrenchment of the welfarist state, an increasing emphasis on the responsibility of individuals in managing their own affairs and their well-being has been evident. In the health arena for instance, this was a major theme permeating the UK government's White Paper Choosing Health: Making Healthy Choices Easier (2004), which appealed to an ethos of autonomy and self-actualization through activity and consumption which merited esteem. As a counterpoint to this growing trend of informed responsibilization, constrained choices (constrained agency) provides a useful framework for a judicious balance and sense of proportion between an individual behavioural focus and a focus on societal, systemic, and structural determinants of health and well-being. Constrained choices is also a conceptual bridge between responsibilization and population health which could be further developed within an integrative biosocial perspective one might refer to as the social ecology of health and disease. PMID:20028669

  5. Synthesis of constrained analogues of tryptophan

    PubMed Central

    Negrato, Marco; Abbiati, Giorgio; Dell’Acqua, Monica

    2015-01-01

    Summary A Lewis acid-catalysed diastereoselective [4 + 2] cycloaddition of vinylindoles and methyl 2-acetamidoacrylate, leading to methyl 3-acetamido-1,2,3,4-tetrahydrocarbazole-3-carboxylate derivatives, is described. Treatment of the obtained cycloadducts under hydrolytic conditions results in the preparation of a small library of compounds bearing the free amino acid function at C-3 and pertaining to the class of constrained tryptophan analogues. PMID:26664620

  6. Constrained superfields in supergravity

    NASA Astrophysics Data System (ADS)

    Dall'Agata, Gianguido; Farakos, Fotis

    2016-02-01

    We analyze constrained superfields in supergravity. We investigate the consistency and solve all known constraints, presenting a new class that may have interesting applications in the construction of inflationary models. We provide the superspace Lagrangians for minimal supergravity models based on them and write the corresponding theories in component form using a simplifying gauge for the goldstino couplings.

  7. Prompt transgression and gradual salinisation of the Black Sea during the early Holocene constrained by amino acid racemization and radiocarbon dating

    NASA Astrophysics Data System (ADS)

    Nicholas, William Anthony; Chivas, Allan R.; Murray-Wallace, Colin V.; Fink, David

    2011-12-01

    The restricted environment of the Black Sea is particularly sensitive to climatic and oceanographic fluctuations, owing to its connection with the Mediterranean Sea via the narrow Bosphorus Strait. The exact mechanism and timing of the most recent connection between these water bodies is controversial with debate on the post-glacial history of the Black Sea being dependent on radiocarbon dating for numerical ages. Here we present new 23 accelerator mass spectrometer (AMS) radiocarbon ages on peat and bivalve molluscs, supported by the first amino acid racemization (AAR) dating of bivalve molluscs ( n = 66) in the Black Sea. These data indicate infilling of the Black Sea during the early Holocene from an initial depth 107 m below sea-level, and 72 m below that of the Bosphorus Sill. These data combined with a review of previous radiocarbon ages has enabled a unique perspective on the post-glacial Black Sea. A sea-level curve based on conventional and AMS radiocarbon ages on peat and AMS-based ages on Dreissena sp. shells indicate the water-level in the earlier lake phase continued, until the early Holocene, to be lower than the Bosphorus Sill after the Younger Dryas ended. However, the absence of AMS-dated mollusc ages from the shelves of this basin older than the Younger Dryas is suggestive of sub-aerial exposure of the shelves, and comparatively lower water-levels when the Younger Dryas began. Thus post-glacial outflow from the Black Sea occurred through a lowered or open Bosphorus seaway. Basin-wide radiocarbon ages on peat indicate a prompt increase in water-level from that of the pre-existing and unconnected palaeo-lake during the earliest Holocene (9600-9200 cal a BP). Mass colonisation of the Black Sea by Mediterranean taxa did not occur until salinity had risen sufficiently, a process which took 1000 a or more from the initial transgressive event. This gradual change in salinity contrasts with the prompt transgression which would have taken 400 a to occur.

  8. Characteristics and formation of amino acids and hydroxy acids of the Murchison meteorite

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Cooper, G. W.; Pizzarello, S.

    1995-01-01

    Eight characteristics of the unique suite of amino acids and hydroxy acids found in the Murchison meteorite can be recognized on the basis of detailed molecular and isotopic analyses. The marked structural correspondence between the alpha-amino acids and alpha-hydroxy acids and the high deuterium/hydrogen ratio argue persuasively for their formation by aqueous phase Strecker reactions in the meteorite parent body from presolar, i.e., interstellar, aldehydes, ketones, ammonia, and hydrogen cyanide. The characteristics of the meteoritic suite of amino acids and hydroxy acids are briefly enumerated and discussed with regard to their consonance with this interstellar-parent body formation hypothesis. The hypothesis has interesting implications for the organic composition of both the primitive parent body and the presolar nebula.

  9. Splice junctions are constrained by protein disorder

    PubMed Central

    Smithers, Ben; Oates, Matt E.; Gough, Julian

    2015-01-01

    We have discovered that positions of splice junctions in genes are constrained by the tolerance for disorder-promoting amino acids in the translated protein region. It is known that efficient splicing requires nucleotide bias at the splice junction; the preferred usage produces a distribution of amino acids that is disorder-promoting. We observe that efficiency of splicing, as seen in the amino-acid distribution, is not compromised to accommodate globular structure. Thus we infer that it is the positions of splice junctions in the gene that must be under constraint by the local protein environment. Examining exonic splicing enhancers found near the splice junction in the gene, reveals that these (short DNA motifs) are more prevalent in exons that encode disordered protein regions than exons encoding structured regions. Thus we also conclude that local protein features constrain efficient splicing more in structure than in disorder. PMID:25934802

  10. The spark discharge synthesis of amino acids from various hydrocarbons

    NASA Technical Reports Server (NTRS)

    Ring, D.; Miller, S. L.

    1984-01-01

    The spark discharge synthesis of amino acids using an atmosphere of CH4+N2+H2O+NH3 has been investigated with variable pNH3. The amino acids produced using higher hydrocarbons (ethane, ethylene, acetylene, propane, butane, and isobutane) instead of CH4 were also investigated. There was considerable range in the absolute yields of amino acids, but the yields relative to glycine (or alpha-amino-n-butyric acid) were more uniform. The relative yields of the C3 to C6 aliphatic alpha-amino acids are nearly the same (with a few exceptions) with all the hydrocarbons. The glycine yields are more variable. The precursors to the C3-C6 aliphatic amino acids seem to be produced in the same process, which is separate from the synthesis of glycine precursors. It may be possible to use these relative yields as a signature for a spark discharge synthesis provided corrections can be made for subsequent decomposition events (e.g. in the Murchison meteorite).

  11. Thermal copoly/amino acids/ as inhibitors of glyoxalase I

    NASA Technical Reports Server (NTRS)

    Fox, S. W.; Syren, R. M.; Windsor, C. R.

    1979-01-01

    A number of copoly(alpha-amino acids) have been prepared thermally; some have been found to function as inhibitors of glyoxalase I, an enzyme which occupies a central position in Szent-Gyorgyi's theory of tumour genesis. These polymers are also of interest in the search for synthetic peptides having carcinostatic activity, since many natural peptides are active. The way in which the inhibitory activity varies with composition of the synthetic polymers has been investigated. Various properties (hydrophobicity, molecular weight, UV absorption, kinetic type) have been examined in a search for correlates of inhibitory activity.

  12. Constraining entropic cosmology

    SciTech Connect

    Koivisto, Tomi S.; Mota, David F.; Zumalacárregui, Miguel E-mail: d.f.mota@astro.uio.no

    2011-02-01

    It has been recently proposed that the interpretation of gravity as an emergent, entropic phenomenon might have nontrivial implications to cosmology. Here several such approaches are investigated and the underlying assumptions that must be made in order to constrain them by the BBN, SneIa, BAO and CMB data are clarified. Present models of inflation or dark energy are ruled out by the data. Constraints are derived on phenomenological parameterizations of modified Friedmann equations and some features of entropic scenarios regarding the growth of perturbations, the no-go theorem for entropic inflation and the possible violation of the Bekenstein bound for the entropy of the Universe are discussed and clarified.

  13. Constrained space camera assembly

    DOEpatents

    Heckendorn, Frank M.; Anderson, Erin K.; Robinson, Casandra W.; Haynes, Harriet B.

    1999-01-01

    A constrained space camera assembly which is intended to be lowered through a hole into a tank, a borehole or another cavity. The assembly includes a generally cylindrical chamber comprising a head and a body and a wiring-carrying conduit extending from the chamber. Means are included in the chamber for rotating the body about the head without breaking an airtight seal formed therebetween. The assembly may be pressurized and accompanied with a pressure sensing means for sensing if a breach has occurred in the assembly. In one embodiment, two cameras, separated from their respective lenses, are installed on a mounting apparatus disposed in the chamber. The mounting apparatus includes means allowing both longitudinal and lateral movement of the cameras. Moving the cameras longitudinally focuses the cameras, and moving the cameras laterally away from one another effectively converges the cameras so that close objects can be viewed. The assembly further includes means for moving lenses of different magnification forward of the cameras.

  14. Imino Acids in the Murchison Meteorite: Evidence of Strecker Reactions

    NASA Technical Reports Server (NTRS)

    Lerner, N. R.; Cooper, G. W.

    2003-01-01

    Both alpha-amino acids and alpha-hydroxy acids occur in aqueous extracts of the Murchison carbonaceous meteorite. The Strecker-cyanohydrin reaction, the reaction of carbonyl compounds, cyanide, and ammonia to produce amino and hydroxy acids, has been proposed as a source of such organic acids in meteorites. Such syntheses are consistent with the suggestion that interstellar precursors of meteoritic organic compounds accreted on the meteorite parent body together with other ices. Subsequent internal heating of the parent body melted these ices and led to the formation of larger compounds in synthetic reactions during aqueous alteration, which probably occurred at temperatures between 273K and 298K. In the laboratory, imino acids are observed as important by-products of the Strecker synthesis.

  15. Constrained space camera assembly

    DOEpatents

    Heckendorn, F.M.; Anderson, E.K.; Robinson, C.W.; Haynes, H.B.

    1999-05-11

    A constrained space camera assembly which is intended to be lowered through a hole into a tank, a borehole or another cavity is disclosed. The assembly includes a generally cylindrical chamber comprising a head and a body and a wiring-carrying conduit extending from the chamber. Means are included in the chamber for rotating the body about the head without breaking an airtight seal formed therebetween. The assembly may be pressurized and accompanied with a pressure sensing means for sensing if a breach has occurred in the assembly. In one embodiment, two cameras, separated from their respective lenses, are installed on a mounting apparatus disposed in the chamber. The mounting apparatus includes means allowing both longitudinal and lateral movement of the cameras. Moving the cameras longitudinally focuses the cameras, and moving the cameras laterally away from one another effectively converges the cameras so that close objects can be viewed. The assembly further includes means for moving lenses of different magnification forward of the cameras. 17 figs.

  16. Constraining anisotropic baryon oscillations

    SciTech Connect

    Padmanabhan, Nikhil; White, Martin

    2008-06-15

    We present an analysis of anisotropic baryon acoustic oscillations and elucidate how a mis-estimation of the cosmology, which leads to incorrect values of the angular diameter distance, d{sub A}, and Hubble parameter, H, manifest themselves in changes to the monopole and quadrupole power spectrum of biased tracers of the density field. Previous work has focused on the monopole power spectrum, and shown that the isotropic dilation combination d{sub A}{sup 2}H{sup -1} is robustly constrained by an overall shift in the scale of the baryon feature. We extend this by demonstrating that the quadrupole power spectrum is sensitive to an anisotropic warping mode d{sub A}H, allowing one to break the degeneracy between d{sub A} and H. We describe a method for measuring this warping, explicitly marginalizing over the form of redshift-space distortions. We verify this method on N-body simulations and estimate that d{sub A}H can be measured with a fractional accuracy of {approx}(3/{radical}(V))% where the survey volume is estimated in h{sup -3} Gpc{sup 3}.

  17. Constrained Vapor Bubble

    NASA Technical Reports Server (NTRS)

    Huang, J.; Karthikeyan, M.; Plawsky, J.; Wayner, P. C., Jr.

    1999-01-01

    The nonisothermal Constrained Vapor Bubble, CVB, is being studied to enhance the understanding of passive systems controlled by interfacial phenomena. The study is multifaceted: 1) it is a basic scientific study in interfacial phenomena, fluid physics and thermodynamics; 2) it is a basic study in thermal transport; and 3) it is a study of a heat exchanger. The research is synergistic in that CVB research requires a microgravity environment and the space program needs thermal control systems like the CVB. Ground based studies are being done as a precursor to flight experiment. The results demonstrate that experimental techniques for the direct measurement of the fundamental operating parameters (temperature, pressure, and interfacial curvature fields) have been developed. Fluid flow and change-of-phase heat transfer are a function of the temperature field and the vapor bubble shape, which can be measured using an Image Analyzing Interferometer. The CVB for a microgravity environment, has various thin film regions that are of both basic and applied interest. Generically, a CVB is formed by underfilling an evacuated enclosure with a liquid. Classification depends on shape and Bond number. The specific CVB discussed herein was formed in a fused silica cell with inside dimensions of 3x3x40 mm and, therefore, can be viewed as a large version of a micro heat pipe. Since the dimensions are relatively large for a passive system, most of the liquid flow occurs under a small capillary pressure difference. Therefore, we can classify the discussed system as a low capillary pressure system. The studies discussed herein were done in a 1-g environment (Bond Number = 3.6) to obtain experience to design a microgravity experiment for a future NASA flight where low capillary pressure systems should prove more useful. The flight experiment is tentatively scheduled for the year 2000. The SCR was passed on September 16, 1997. The RDR is tentatively scheduled for October, 1998.

  18. Copper(II) diamino acid complexes: quantum chemical computations regarding diastereomeric effects on the energy of complexation.

    PubMed

    Zuilhof, Han; Morokuma, Keiji

    2003-08-21

    [reaction: see text] Quantum chemical calculations were used to rationalize the observed enantiodifferentiation in the complexation of alpha-amino acids to chiral Cu(II) complexes. Apart from Cu(II)[bond]pi interactions and steric repulsions between the anchoring cholesteryl-Glu moiety and an aromatic amino acid R group, hydrogen bonding also plays a role. In fact, in the case of tryptophan, C[double bond]O...H[bond]N hydrogen bonding between the glutamate moiety and the tryptophan N[bond]H group compensates for the loss of intramolecular hydrogen-bonding and diminished Cu(II)[bond]pi interactions. PMID:12916986

  19. Structure-affinity relationships of substrates for the neutral amino acid transport system in rabbit ileum.

    PubMed

    Preston, R L; Schaeffer, J F; Curran, P F

    1974-10-01

    The apparent affinities of various amino acids for the neutral amino acid transport system in rabbit ileum were determined by measuring the inhibition of L-methionine-(14)C influx across the brush border membrane. The apparent affinity was very low for compounds lacking an alpha-amino group, compounds with the alpha-hydrogen substituted by a methyl group, D-compounds, compounds with tertiary branching in the side chain, compounds with either a positive or negative charge in the side chain, and in most cases, compounds with a hydrophilic moiety in the side chain. High apparent affinities were exhibited by compounds with unbranched carbon or carbon-sulfur side chains. Branched compounds such as valine and leucine exhibited affinities which correlate with binding of only the linear portion of the side chain. The calculated change in free energy of binding is 370 cal/mol/CH(2) group which suggests the binding region for the side chain is partially hydrophobic. The affinities of families of analogues, derivatives of cysteine, methionine, serine, alanine, valine, and phenylalanine, correlate with their calculated octanol/water partition coefficients and are also correlated with apparent structural and electronic differences between families. The data permit a preliminary description of the functional geometry of the neutral amino acid transport site. The site contains a region for binding the alpha-amino group, alpha-carboxyl group, and side chain. The regions about the alpha-amino group and alpha-hydrogen are quite sterically limited. The side chain binding region is hydrophobic in nature and appears to be shallow, binding only the linear portion of branched or ring compounds. PMID:4418758

  20. Isotopic analyses of amino acids from the Murchison meteorite

    NASA Technical Reports Server (NTRS)

    Pizzarello, S.; Cronin, J. R.; Krishnamurthy, R. V.; Epstein, S.

    1991-01-01

    An account is given of the results of H-2, C-13 isotopic analyses of the Murchison meteorite incorporating an ultrafiltration step to exclude the possibility of fine particulate contaminants. The meteorite's amino acids were chromatographically separated in order to preclude isotopic enrichment by basic compounds other than the amino acids. The results indicate that the Murchison amino acids are isotopically highly unusual; delta-C-13 is elevated by about 40 percent, and delta-D by fully 2500 percent. This high D content of the meteorite's alpha-amino acids may be due to the synthesis of their molecular precursors by low-temperature ion-molecule reactions in an interstellar cloud.

  1. Insulin effect on amino acid uptake by unloaded rat hindlimb muscles

    NASA Technical Reports Server (NTRS)

    Jaspers, S. R.; Tischler, M. E.

    1988-01-01

    The effect of insulin on the uptake of alpha-amino-isobutyric acid (AIB) by unloaded rat hindlimb muscles was investigated using soleus and extensor digitorum longus (EDL) muscles from intact and adrenalectomized (ADX) rats that were tail-casted for six days. It was found that, at insulin levels above 0.00001 units/ml, the in vitro rate of AIB uptake by muscles from intact animals was stimulated more in the weight bearing muscles than in unloaded ones. In ADX animals, this differential response to insulin was abolished.

  2. Extraterrestrial Amino Acids in Orgueil and Ivuna: Tracing the Parent Body of CI Type Carbonaceous Chondrites

    NASA Technical Reports Server (NTRS)

    Meyer, Michael (Technical Monitor); Ehrenfreund, Pascale; Glavin, Daniel P.; Bota, Oliver; Cooper, George; Bada, Jeffrey

    2001-01-01

    Amino acid analyses using HPLC of pristine interior pieces of the CI carbonaceous chondrites Orgueil and Ivuna have found that beta-alanine, glycine, and gamma-amino-n-butyric acid (ABA) are the most abundant amino acids in these two meteorites, with concentrations ranging from approx. 600 to 2,000 parts per billion (ppb). Other alpha-amino acids such as alanine, alpha-ABA, alpha-aminoisobutyric acid (AIB), and isovaline are present only in trace amounts (less than 200 ppb). Carbon isotopic measurements of beta-alanine and glycine and the presence of racemic (D/L 1) alanine and beta-ABA in Orgueil suggest that these amino acids are extraterrestrial in origin. In comparison to the CM carbonaceous chondrites Murchison and Murray, the amino acid composition of the CIs is strikingly distinct, suggesting that these meteorites came from a different type of parent body, possibly an extinct comet, than did the CM carbonaceous chondrites.

  3. Free amino acids, copper, iron and zinc composition in sera of patients with thyrometabolic diseases.

    PubMed

    Hassan, M A; al-Awqati, M A; Issac, D; Yadav, G K; Bahman, M A

    1990-02-01

    Free amino acids together with copper, iron and zinc were measured in sera of 67 adult patients with thyrotoxicosis (n = 29) or hypothyroidism (n = 38). In contradistinction to the almost indifferences exhibited by the three metals, many amino acids displayed significant relationships with the thyrometabolic activity (mainly tyrosine and arginine with r values of 0.5 and 0.44, respectively). Additional analyses revealed certain patterns, between trace metals and amino acids, which conferred challenging difficulties to interpretation. Thus while zinc was associated positively with some amino acids (such as glutamic acid and alanine), copper correlated almost invariably in a negative manner with citrulline, alpha-amino-butyric acid, proline, glycine and valine. This new information should contribute to our knowledge of the complex metabolism of both trace metals and amino acids. PMID:2323728

  4. Line constrained between two curves

    NASA Astrophysics Data System (ADS)

    Ahmad, Afida; Ali, Jamaludin Md.

    2013-04-01

    In this paper, the method of finding the line constrained between two quadratic Bezier curves and also finding the line constrained between a quadratic Bezier curve and a circle is presented. The application of the line constrained can be used in the construction of railway tracks between any obstacle or rolling a ball to the other side of a wall in a way that it just touches the wall. The method used is by using equal root properties of a quadratic equation in order to find one point where the line touches the curve. The work examples involved different curve orientations and different circle positions. Mathematica software is used to compute the solutions for the line constrained and present the solutions graphically. By using the method proposed, the number of intersection points obtained is used to determine the number of lines constrained between two curves and between a curve and a circle. The conclusion on whether all lines are acceptable to be considered as the line constrained are depending on the application of the line.

  5. Synthesis and structure-activity studies on excitatory amino acids structurally related to ibotenic acid.

    PubMed

    Krogsgaard-Larsen, P; Brehm, L; Johansen, J S; Vinzents, P; Lauridsen, J; Curtis, D R

    1985-05-01

    With use of ibotenic acid as a lead, analogues of (RS)-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) and of (RS)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid (7-HPCA) were synthesized and tested as excitants of neurons in the cat spinal cord by using microelectrophoretic techniques and as inhibitors of the binding of kainic acid in vitro. Like AMPA and 7-HPCA, (RS)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]-pyridine-5-carboxylic acid (10, 5-HPCA) and (RS)-3-hydroxy-5-(bromomethyl)isoxazole-4-propionic acid (11, ABPA) proved to interact potently and selectively with central quisqualic acid receptors, assumed to represent physiological glutamic acid receptors. Analogues of 7-HPCA or 10, in which one or both of the acid groups were masked, were very weak or inactive as neuronal excitants and had no antagonistic effects at excitatory amino acid receptors. The structure of 7-HPCA in the crystalline state was established by X-ray analyses. The preferred conformation of 10 in aqueous solution was determined by 1H NMR spectroscopy. On the basis of these studies, 7-HPCA as well as 10 were shown to adopt preferentially conformations with the carboxylate groups in equatorial positions. It is suggested that AMPA, 7-HPCA, and 10 interact with quisqualic acid receptors in conformations essentially reflecting active conformation(s) of glutamic acid at these receptors. PMID:2985786

  6. The Strecker synthesis from interstellar precursors as a source of amino acids in carbonaceous chondrites: Deuterium retention during synthesis. [Abstract only

    NASA Technical Reports Server (NTRS)

    Lerner, N. R.; Peterson, E.; Chang, S.

    1994-01-01

    Amino acids in the Murchison carbonaceous chondrite are anomalously enriched in deuterium. Synthesis in Strecker reactions from D-enriched interstellar precursors during low temperature aqueous alteration of the parent body has been proposed by Cronin et al. (1988) to account for the isotopic observations. To test this hypothesis, we have measured the retention of deuterium in the glycine, alanine, and alpha-amino isobutyric acid produced, respectively, by reactions of formaldehyde-D2, acetaldehyde-D4, and acetone-D6 with HCN and NH3 in water.

  7. Synthesis of a diaminopropanoic acid-based nucleoamino acid and assembly of cationic nucleopeptides for biomedical applications.

    PubMed

    Roviello, Giovanni N; Musumeci, Domenica; Bucci, Enrico M; Pedone, Carlo

    2012-12-01

    In this work, we report a synthetic approach to a Fmoc-protected nucleoamino acid, based on L-diaminopropanoic acid, carrying the DNA nucleobase on the alpha-amino group by means of an amide bond, suitable for the solid-phase synthesis of novel nucleopeptides of potential interest in biomedicine. After ESI-MS and NMR characterization this building block was used for the assembly of a thymine-functionalized nucleopeptide, composed of nucleobase-containing L-diaminopropanoic acid moieties and underivatized L-lysine residues alternated in the backbone. Circular dichroism studies performed on the cationic nucleopeptide and adenine-containing DNA and RNA molecules suggested that the thymine-containing peptide is able to interact with both DNA and RNA. In particular, a significant conformational variation in the RNA structure was suggested by CD studies. Human serum stability assays were also conducted on the cationic nucleopeptide, which was found to be highly resistant to enzymatic degradation. PMID:22688861

  8. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, Mark M.; Shoup, Timothy

    1998-10-06

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is ›.sup.18 F!-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an .alpha.-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of .alpha.-aminoisobutyric acid.

  9. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, M.M.; Shoup, T.

    1998-09-15

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is [{sup 18}F]-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an {alpha}-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of {alpha}-aminoisobutyric acid.

  10. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, Mark M.; Shoup, Timothy

    1998-09-15

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is ›.sup.18 F!-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an .alpha.-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of .alpha.-aminoisobutyric acid.

  11. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, M.M.; Shoup, T.

    1998-10-06

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is [{sup 18}F]-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an {alpha}-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of {alpha}-aminoisobutyric acid.

  12. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, Mark M. (Atlanta, GA); Shoup, Timothy (Decatur, GA)

    1998-10-06

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is .sup.18 F!-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an .alpha.-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of .alpha.-aminoisobutyric acid.

  13. Amino acid analogs for tumor imaging

    DOEpatents

    Goodman, Mark M. (Atlanta, GA); Shoup, Timothy (Decatur, GA)

    1998-09-15

    The invention provides novel amino acid compounds of use in detecting and evaluating brain and body tumors. These compounds combine the advantageous properties of 1-amino-cycloalkyl-1-carboxylic acids, namely, their rapid uptake and prolonged retention in tumors with the properties of halogen substituents, including certain useful halogen isotopes including fluorine-18, iodine-123, iodine-125, iodine-131, bromine-75, bromine-76, bromine-77 and bromine-82. In one aspect, the invention features amino acid compounds that have a high specificity for target sites when administered to a subject in vivo. Preferred amino acid compounds show a target to non-target ratio of at least 5:1, are stable in vivo and substantially localized to target within 1 hour after administration. An especially preferred amino acid compound is .sup.18 F!-1-amino-3-fluorocyclobutane-1-carboxylic acid (FACBC). In another aspect, the invention features pharmaceutical compositions comprised of an .alpha.-amino acid moiety attached to either a four, five, or a six member carbon-chain ring. In addition, the invention features analogs of .alpha.-aminoisobutyric acid.

  14. Poisson Geometry in Constrained Systems

    NASA Astrophysics Data System (ADS)

    BOJOWALD, MARTIN; STROBL, THOMAS

    Associated to a constrained system with closed constraint algebra there are two Poisson manifolds P and Q forming a symplectic dual pair with respect to the original, unconstrained phase space: P is the image of the constraint map (equipped with the algebra of constraints) and Q the Poisson quotient with respect to the orbits generated by the constraints (the orbit space is assumed to be a manifold). We provide sufficient conditions so that the reduced phase space of the constrained system may be identified with a symplectic leaf of Q. By these methods, a second class constrained system with closed algebra is reformulated as an abelian first class system in an extended phase space. While any Poisson manifold (P,?) has a symplectic realization (Karasev, Weinstein 87), it does not always permit a leafwise symplectic embedding into a symplectic manifold (M,?). For regular P, it is seen that such an embedding exists, iff the characteristic form-class of ?, a certain element of the third relative cohomology of P, vanishes. A tubular neighborhood of the constraint surface of a general second class constrained system equipped with the Dirac bracket provides a physical example for such an embedding into the original symplectic manifold. In contrast, a leafwise symplectic embedding of e.g. (the maximal regular part of) a Poisson Lie manifold associated to a compact, semisimple Lie algebra does not exist.

  15. Generalized Constrained Canonical Correlation Analysis.

    ERIC Educational Resources Information Center

    Takane, Yoshio; Hwang, Heungsun

    2002-01-01

    Proposes a method for generalized constrained canonical correlation analysis (GCCANO) that incorporates external information on both rows and columns of data matrices. In this method, each set of variables is first decomposed into the sum of several submatrices according to the external information, and then canonical correlation analysis is…

  16. Generalized Constrained Multiple Correspondence Analysis.

    ERIC Educational Resources Information Center

    Hwang, Heungsun; Takane, Yoshio

    2002-01-01

    Proposes a comprehensive approach, generalized constrained multiple correspondence analysis, for imposing both row and column constraints on multivariate discrete data. Each set of discrete data is decomposed into several submatrices and then multiple correspondence analysis is applied to explore relationships among the decomposed submatrices.…

  17. Influence of Murchison Minerals on Hydrogen-Deuterium Exchange of Amino Acids

    NASA Astrophysics Data System (ADS)

    Lerner, N. R.

    1993-07-01

    The amino acids found on the Murchison meteorite are deuterium enriched. For the glycine-alanine fraction, delta D = +2448 per mil, and for the alpha-amino isobutyric acid fraction, delta D = +149 per mil [1]. In order to retain such levels of deuterium enrichment, the amino acids found in Murchison must have not only retained the deuterium enrichment of their interstellar precursors (delta D > +1500 per mil [2]) during synthesis, as has been recently shown [3], but they must have also retained their deuterium label during the aqueous alteration phase [4]. By measuring the rates of deuterium exchange of amino acids with D(sub)2O, limits can be set on the length of time and the conditions under which the Murchison parent body experienced an aqueous environment. The rates of hydrogen-deuterium exchange of nondeuterated glycine, alanine, alpha-amino isobutyric acid, and amino diacetic acid have been measured in D(sub)2O as a function of temperature, pH, and the presence of Murchison minerals. In addition to the amino and carboxylic hydrogens, only the alpha- hydrogens of glycine, alanine, and amino diacetic acid are found to exchange. Even for solutions maintained for weeks at temperatures as high as 120 degrees C, no exchange was observed with the hydrogens of the methyl groups of alanine or alpha-amino isobutyric acid. The rate of exchange for alpha-hydrogens of amino acids is first-order with respect to the amino acid concentration. Increasing the pH of the solution markedly increases the rate of exchange. For example, at 115 degrees C and pH 4.0, 7.0, and 10 the rates are 14, 30, and 125 yr^-1 respectively for glycine and 2.0, 3.5, and 14 yr^-1 respectively for alanine. In a pH-6.0 D(sub)2O solution of amino acids containing Murchison dust the rates are 135 yr^-1 for glycine and 32 yr^-1 for alanine, rates close to those for the pH 10 solution. Activation energies for exchange were obtained from Arrhenius plots constructed from measurements made between 70 degrees C and 155 degrees C in solutions containing Murchison dust. For both glycine and alanine the activation energy is -25 kcal/mole. Using this value, we have calculated the half-lives for complete exchange of the alpha-hydrogens of glycine and alanine for the temperature range thought to have existed on the parent body during aqueous alteration [5]. The half-lives at 0 degrees C and 20 degrees C are 7500 yr and 300 yr respectively for glycine and 55,000 yr and 2100 yr respectively for alanine. Murchison amino acid fraction IV [1] was known to contain impurities and hence the measured delta D value represents a lower limit for alpha-amino isobutyric acid. Assuming that all the deuterium recovered from fraction IV came from alpha-amino isobutryric acid, and that one atom of nitrogen is recovered for each molecule of alpha-amino isobutyric acid, a maximum delta D value of +2600 per mil can be calculated for this amino acid. This is comparable to delta D for the glycine-alanine fraction, which is mainly glycine [6]. In an aqueous environment glycine loses deuterium relatively rapidly while alpha-amino isobutyric acid does not undergo exchange. Hence the similarity in the delta D values of both fractions indicates that the period of aqueous alteration is less than the half-life for hydrogen-deuterium exchange of glycine. References: [1] Pizzarello S. et al. (1991) GCA, 55, 905-910. [2] Zinner E. (1988) In Meteorites and the Early Solar System (J. R. Kerridge and M. S. Matthews, eds.), 956-983, Univ. of Arizona. [3] Lerner N. R. et al. (1993) GCA, in press. [4] Bunch T. E. and Chang S. (1980) GCA, 44, 1543-1577. [5] Clayton R. N. and Mayeda T. K. (1984) EPSL, 67, 151-161. [6] Shock E. L. and Shulte M. D. (1990) GCA, 54, 3159-3173.

  18. Explicit construction of constrained instantons

    NASA Astrophysics Data System (ADS)

    Nielsen, Morten; Nielsen, N. K.

    2000-05-01

    Instantons in massless theories do not carry over to massive theories due to Derrick's theorem. This theorem can, however, be circumvented, if a constraint that restricts the scale of the instanton is imposed on the theory. Constrained instantons are considered in four dimensions in ?4 theory and SU(2) Yang-Mills-Higgs theory. In each of these theories a calculational scheme is set up and solved in the lowest few orders in the mass parameter in such a way that the need for a constraint is exhibited clearly. Constrained instantons are shown to exist as finite action solutions of the field equations with exponential falloff only for specific constraints that are unique in lowest order in the mass parameter in question.

  19. Constrained minimization for monotonic reconstruction

    SciTech Connect

    Rider, W.J.; Kothe, D.B.

    1996-08-20

    The authors present several innovations in a method for monotonic reconstructions. It is based on the application of constrained minimization techniques for the imposition of monotonicity on a reconstruction. In addition, they present extensions of several classical TVD limiters to a genuinely multidimensional setting. In this case the linear least squares reconstruction method is expanded upon. They also clarify data dependent weighting techniques used with the minimization process.

  20. Efficient transport of Am(III) from nitric acid medium using a new conformationally constrained (N,N,N',N'-tetra-2-ethylhexyl)7-oxabicyclo[2.2.1]heptane-2,3-dicarboxamide across a supported liquid membrane.

    PubMed

    Sharma, S; Panja, S; Ghosh, S K; Dhami, P S; Gandhi, P M

    2016-03-15

    Am(III) is one of the most hazardous radionuclide present in nuclear fuel cycle. A new conformationally constrained diamide, (N,N,N',N'-tetra-2-ethylhexyl)7-oxabicyclo[2.2.1]heptane-2,3-dicarboxamide (OBDA) was studied for Am(III) transport from HNO3 medium across a Supported Liquid Membrane. Transport rate was observed to be significantly fast with ?95% transport of Am(III) within 1h using 0.1M OBDA in the presence of 15% isodecyl alcohol (IDA)/n-dodecane as carrier. The mechanism of transport was investigated by studying various parameters like feed HNO3/NaNO3 concentration, OBDA concentration in the membrane, membrane pore size, membrane thickness etc. From these studies, the mechanism of transport was found to be diffusion controlled with diffusion co-efficient value of 5.110(-6)cm(2)/s. The membrane was found to be highly selective for tri- and tetra-valent actinides, and trivalent lanthanides. OBDA based membrane was found to be stable for at least for ten consecutive cycles of operation. PMID:26685064

  1. Constrained Stochastic Extended Redundancy Analysis.

    PubMed

    DeSarbo, Wayne S; Hwang, Heungsun; Stadler Blank, Ashley; Kappe, Eelco

    2015-06-01

    We devise a new statistical methodology called constrained stochastic extended redundancy analysis (CSERA) to examine the comparative impact of various conceptual factors, or drivers, as well as the specific predictor variables that contribute to each driver on designated dependent variable(s). The technical details of the proposed methodology, the maximum likelihood estimation algorithm, and model selection heuristics are discussed. A sports marketing consumer psychology application is provided in a Major League Baseball (MLB) context where the effects of six conceptual drivers of game attendance and their defining predictor variables are estimated. Results compare favorably to those obtained using traditional extended redundancy analysis (ERA). PMID:24327066

  2. Constraining Lorentz violation with cosmology.

    PubMed

    Zuntz, J A; Ferreira, P G; Zlosnik, T G

    2008-12-31

    The Einstein-aether theory provides a simple, dynamical mechanism for breaking Lorentz invariance. It does so within a generally covariant context and may emerge from quantum effects in more fundamental theories. The theory leads to a preferred frame and can have distinct experimental signatures. In this Letter, we perform a comprehensive study of the cosmological effects of the Einstein-aether theory and use observational data to constrain it. Allied to previously determined consistency and experimental constraints, we find that an Einstein-aether universe can fit experimental data over a wide range of its parameter space, but requires a specific rescaling of the other cosmological densities. PMID:19113765

  3. Fuzzy coding in constrained ordinations.

    PubMed

    Greenacre, Michael

    2013-02-01

    Canonical correspondence analysis and redundancy analysis are two methods of constrained ordination regularly used in the analysis of ecological data when ordinations based on several response variables (for example, species abundances) are related linearly to several explanatory variables (for example, environmental variables, spatial positions of samples). In this report I demonstrate the advantages of the fuzzy coding of explanatory variables: first, nonlinear relationships can be diagnosed; second, more variance in the responses can be explained; and third, in the presence of categorical explanatory variables (for example, years, regions) the interpretation of the resulting triplot ordination is unified because all explanatory variables are measured at a categorical level. PMID:23691646

  4. Constraining walking and custodial technicolor

    SciTech Connect

    Foadi, Roshan; Frandsen, Mads T.; Sannino, Francesco

    2008-05-01

    We show how to constrain the physical spectrum of walking technicolor models via precision measurements and modified Weinberg sum rules. We also study models possessing a custodial symmetry for the S parameter at the effective Lagrangian level - custodial technicolor - and argue that these models cannot emerge from walking-type dynamics. We suggest that it is possible to have a very light spin-one axial (vector) boson. However, in the walking dynamics the associated vector boson is heavy while it is degenerate with the axial in custodial technicolor.

  5. A reexamination of amino acids in lunar soil

    NASA Technical Reports Server (NTRS)

    Brinton, K. L. F.; Bada, J. L.; Arnold, J. R.

    1993-01-01

    Amino acids in lunar soils provide an important indicator of the level of prebiotic organic compounds on the moon. The results provide insight into the chemistry of amino acid precursors, and furthermore, given the flux of carbonaceous material to the moon, we can evaluate the survival of organics upon impact. The amino acid contents of both hydrolyzed and unhydrolyzed hot-water extracts of Apollo 17 lunar soil were determined using ophthaldialdehyde/N-acetyl cysteine (OPA/NAC) derivatization followed by HPLC analysis. Previous studies of lunar amino acids were inconclusive, as the technique used (derivatization with ninhydrin followed by HPLC analysis) was unable to discriminate between cosmogenic amino acids and terrestrial contaminants. Cosmogenic amino acids are racemic, and many of the amino acids found in carbonaceous meteorites such as Murchison, i.e., alpha-amino-i-butyric acid (aib), are extremely rare on Earth. The ninhydrin method does not distinguish amino acid enantiomers, nor does it detect alpha-alkyl amino acids such as aib, whereas the OPA/NAC technique does both.

  6. A reexamination of amino acids in lunar soil

    NASA Astrophysics Data System (ADS)

    Brinton, K. L. F.; Bada, J. L.; Arnold, J. R.

    1993-03-01

    Amino acids in lunar soils provide an important indicator of the level of prebiotic organic compounds on the moon. The results provide insight into the chemistry of amino acid precursors, and furthermore, given the flux of carbonaceous material to the moon, we can evaluate the survival of organics upon impact. The amino acid contents of both hydrolyzed and unhydrolyzed hot-water extracts of Apollo 17 lunar soil were determined using ophthaldialdehyde/N-acetyl cysteine (OPA/NAC) derivatization followed by HPLC analysis. Previous studies of lunar amino acids were inconclusive, as the technique used (derivatization with ninhydrin followed by HPLC analysis) was unable to discriminate between cosmogenic amino acids and terrestrial contaminants. Cosmogenic amino acids are racemic, and many of the amino acids found in carbonaceous meteorites such as Murchison, i.e., alpha-amino-i-butyric acid (aib), are extremely rare on Earth. The ninhydrin method does not distinguish amino acid enantiomers, nor does it detect alpha-alkyl amino acids such as aib, whereas the OPA/NAC technique does both.

  7. Constraining fundamental physics with Planck

    NASA Astrophysics Data System (ADS)

    Rocha, Graca

    2015-08-01

    The ? CDM model assumes the validity of General Relativity on cosmological scales,as well as the physics of the standard model of particle physics. One possible extension, which mayhave motivations in fundamental physics, is to consider variations of dimensionless constants.Such variations can be constrained through tests on astrophysical scales.A number of physical systems have been used, spanning different time scales, to set constraints on variations of the fundamental constants.These range from atomic clocks in the laboratory at a redshift z = 0 to BBN at z 10^8 . However,apart from the claims of varying based on high resolution quasar absorption-line spectra,there is no other evidence for time-variable fundamental constants.CMB temperature anisotropies have been used extensively to constrain the variation of fundamental constants over cosmictimescales. In this talk I will present constraints on the temporal and spatial variation of fundamental constants such as fine structure constant, $\\alpha$, mass of the electron, $m_{e }$. etc. using CMB data with special focus on Planck data. I will also investigate the degeneracies with other cosmological parameters such as $H_{0}$ .

  8. Bayesian Constrained Local Models Revisited.

    PubMed

    Martins, Pedro; Henriques, Jo Ao F; Caseiro, Rui; Batista, Jorge

    2016-04-01

    This paper presents a novel Bayesian formulation for aligning faces in unseen images. Our approach revisits the Constrained Local Models (CLM) formulation where an ensemble of local feature detectors are constrained to lie within the subspace spanned by a Point Distribution Model (PDM). Fitting such a model to an image typically involves two main steps: a local search using a detector, obtaining response maps for each landmark (likelihood term) and a global optimization that finds the PDM parameters that jointly maximize all the detections at once. The so-called global optimization can be posed as a Bayesian inference problem, where the posterior distribution of the shape (and pose) parameters can be inferred in a maximum a posteriori (MAP) sense. This work introduces an extended Bayesian global optimization strategy that includes two novel additions: (1) to perform second order updates of the PDM parameters (accounting for their covariance) and (2) to model the underlying dynamics of the shape variations, encoded in the prior term, by using recursive Bayesian estimation. Extensive evaluations were performed against state-of-the-art methods on several standard datasets (IMM, BioID, XM2VTS, LFW and FGNET Talking Face). Results show that the proposed approach significantly increases the fitting performance. PMID:26959675

  9. Heterogeneous Distributions of Amino Acids Provide Evidence of Multiple Sources Within the Almahata Sitta Parent Body, Asteroid 2008 TC(sub 3)

    NASA Technical Reports Server (NTRS)

    Burton, Aaron S.; Glavin, Daniel P.; Callahan, Michael P.; Dworkin, Jason P.; Jenniskens, Peter; Shaddad, Muawia H.

    2011-01-01

    Two new fragments of the Almahata Sitta meteorite and a sample of sand from the related strewn field in the Nubian Desert, Sudan, were analyzed for two to six carbon aliphatic primary amino acids by ultrahigh performance liquid chromatography with UV-fluorescence detection and time-of-flight mass spectrometry (LC-FT/ToF-MS). The distribution of amino acids in fragment #25, an H5 ordinary chondrite, and fragment #27, a polymict ureilite, were compared with results from the previously analyzed fragment #4, also a polymict ureilite. All three meteorite fragments contain 180-270 parts-per-billion (ppb) of amino acids, roughly 1000-fold lower than the total amino acid abundance of the Murchison carbonaceous chondrite. All of the Almahata Sitta fragments analyzed have amino acid distributions that differ from the Nubian Desert sand, which primarily contains L-alpha-amino acids. In addition, the meteorites contain several amino acids that were not detected in the sand, indicating that many of the amino acids are extraterrestrial in origin. Despite their petrological differences, meteorite fragments #25 and #27 contain similar amino acid compositions; however, the distribution of amino acids in fragment #27 was distinct from those in fragment #4, even though both arc polymict ureilites from the same parent body. Unlike in CM2 and CR2/3 meteorites, there are low relative abundances of alpha-amino acids in the Almahata Sitta meteorite fragments, which suggest that Strecker-type chemistry was not a significant amino acid formation mechanism. Given the high temperatures that asteroid 2008 TC3 appears to have experienced and lack of evidence for aqueous alteration on the asteroid, it is possible that the extraterrestrial amino acids detected in Almahata Sitta were formed by Fischer-Tropsch/Haber-Bosch type gas-grain reactions at elevated temperatures.

  10. Interaction of metal ions and amino acids - Possible mechanisms for the adsorption of amino acids on homoionic smectite clays

    NASA Technical Reports Server (NTRS)

    Gupta, A.; Loew, G. H.; Lawless, J.

    1983-01-01

    A semiempirical molecular orbital method is used to characterize the binding of amino acids to hexahydrated Cu(2+) and Ni(2+), a process presumed to occur when they are adsorbed in the interlamellar space of homoionic smectite clays. Five alpha-amino acids, beta-alanine, and gamma-aminobutyric acid were used to investigate the metal ion and amino acid specificity in binding. It was assumed that the alpha, beta, and gamma-amino acids would bind as bidentate anionic ligands, forming either 1:1 or 1:2 six-coordinated five, six, and seven-membered-ring chelate complexes, respectively. Energies of complex formation, optimized geometries, and electron and spin distribution were determined; and steric constraints of binding of the amino acids to the ion-exchanged cations in the interlamellar spacing of a clay were examined. Results indicate that hexahydrated Cu(2+) forms more stable complexes than hexahydrated Ni(2+) with all the amino acids studied. However, among these amino acids, complex formation does not favor the adsorption of the biological subset. Calculated energetics of complex formation and steric constraints are shown to predict that 1:1 rather than 1:2 metal-amino acid complexes are generally favored in the clay.

  11. Optimum constrained image restoration filters

    NASA Technical Reports Server (NTRS)

    Riemer, T. E.; Mcgillem, C. D.

    1977-01-01

    The research described centered on development of an optimum image restoration filter (IRF) minimizing the radius of gyration of the corrected or composite system point-spread function (P-SF) subject to contraints, and reducing 2-dimensional spatial smearing or blurring of an image. The constraints are imposed on the radius of gyration of the IRF P-SF, the total restored image noise power, and the shape of the composite system frequency spectrum. The image degradation corresponds to mapping many points from the original image into a single resolution element. The P-SF is obtained as solution to a set of simultaneous differential equations obeying nonlinear integral constraints. Truncation errors due to edge effects are controlled by constraining the radius of gyration of the IRF P-SF. An iterative technique suppresses sidelobes of the composite system P-SF.

  12. Formal language constrained path problems

    SciTech Connect

    Barrett, C.; Jacob, R.; Marathe, M.

    1997-07-08

    In many path finding problems arising in practice, certain patterns of edge/vertex labels in the labeled graph being traversed are allowed/preferred, while others are disallowed. Motivated by such applications as intermodal transportation planning, the authors investigate the complexity of finding feasible paths in a labeled network, where the mode choice for each traveler is specified by a formal language. The main contributions of this paper include the following: (1) the authors show that the problem of finding a shortest path between a source and destination for a traveler whose mode choice is specified as a context free language is solvable efficiently in polynomial time, when the mode choice is specified as a regular language they provide algorithms with improved space and time bounds; (2) in contrast, they show that the problem of finding simple paths between a source and a given destination is NP-hard, even when restricted to very simple regular expressions and/or very simple graphs; (3) for the class of treewidth bounded graphs, they show that (i) the problem of finding a regular language constrained simple path between source and a destination is solvable in polynomial time and (ii) the extension to finding context free language constrained simple paths is NP-complete. Several extensions of these results are presented in the context of finding shortest paths with additional constraints. These results significantly extend the results in [MW95]. As a corollary of the results, they obtain a polynomial time algorithm for the BEST k-SIMILAR PATH problem studied in [SJB97]. The previous best algorithm was given by [SJB97] and takes exponential time in the worst case.

  13. Central invariants of the constrained KP hierarchies

    NASA Astrophysics Data System (ADS)

    Liu, Si-Qi; Zhang, Youjin; Zhou, Xu

    2015-11-01

    We compute the central invariants of the bihamiltonian structures of the constrained KP hierarchies, and show that these bihamiltonian structures are topological deformations of their hydrodynamic limits.

  14. Towards spatially constrained gust models

    NASA Astrophysics Data System (ADS)

    Bos, René; Bierbooms, Wim; van Bussel, Gerard

    2014-06-01

    With the trend of moving towards 10-20 MW turbines, rotor diameters are growing beyond the size of the largest turbulent structures in the atmospheric boundary layer. As a consequence, the fully uniform transients that are commonly used to predict extreme gust loads are losing their connection to reality and may lead to gross overdimensioning. More suiting would be to represent gusts by advecting air parcels and posing certain physical constraints on size and position. However, this would introduce several new degrees of freedom that significantly increase the computational burden of extreme load prediction. In an attempt to elaborate on the costs and benefits of such an approach, load calculations were done on the DTU 10 MW reference turbine where a single uniform gust shape was given various spatial dimensions with the transverse wavelength ranging up to twice the rotor diameter (357 m). The resulting loads displayed a very high spread, but remained well under the level of a uniform gust. Moving towards spatially constrained gust models would therefore yield far less conservative, though more realistic predictions at the cost of higher computation time.

  15. Gyrification from constrained cortical expansion

    PubMed Central

    Tallinen, Tuomas; Chung, Jun Young; Biggins, John S.; Mahadevan, L.

    2014-01-01

    The exterior of the mammalian brainthe cerebral cortexhas a conserved layered structure whose thickness varies little across species. However, selection pressures over evolutionary time scales have led to cortices that have a large surface area to volume ratio in some organisms, with the result that the brain is strongly convoluted into sulci and gyri. Here we show that the gyrification can arise as a nonlinear consequence of a simple mechanical instability driven by tangential expansion of the gray matter constrained by the white matter. A physical mimic of the process using a layered swelling gel captures the essence of the mechanism, and numerical simulations of the brain treated as a soft solid lead to the formation of cusped sulci and smooth gyri similar to those in the brain. The resulting gyrification patterns are a function of relative cortical expansion and relative thickness (compared with brain size), and are consistent with observations of a wide range of brains, ranging from smooth to highly convoluted. Furthermore, this dependence on two simple geometric parameters that characterize the brain also allows us to qualitatively explain how variations in these parameters lead to anatomical anomalies in such situations as polymicrogyria, pachygyria, and lissencephalia. PMID:25136099

  16. Genetically constrained metabolic flux analysis.

    PubMed

    Cox, Steven J; Shalel Levanon, Sagit; Bennett, George N; San, Ka-Yiu

    2005-01-01

    Significant progress has been made in using existing metabolic databases to estimate metabolic fluxes. Traditional metabolic flux analysis generally starts with a predetermined metabolic network. This approach has been employed successfully to analyze the behaviors of recombinant strains by manually adding or removing the corresponding pathway(s) in the metabolic map. The current work focuses on the development of a new framework that utilizes genomic and metabolic databases, including available genetic/regulatory network structures and gene chip expression data, to constrain metabolic flux analysis. The genetic network consisting of the sensing/regulatory circuits will activate or deactivate a specific set of genes in response to external stimulus. The activation and/or repression of this set of genes will result in different gene expression levels that will in turn change the structure of the metabolic map. Hence, the metabolic map will automatically "adapt" to the external stimulus as captured by the genetic network. This adaptation selects a subnetwork from the pool of feasible reactions and so performs what we term "environmentally driven dimensional reduction." The Escherichia coli oxygen and redox sensing/regulatory system, which controls the metabolic patterns connected to glycolysis and the TCA cycle, was used as a model system to illustrate the proposed approach. PMID:16143552

  17. Constraining QGP properties with CHIMERA

    NASA Astrophysics Data System (ADS)

    Garishvili, Irakli; Abelev, Betty; Cheng, Michael; Glenn, Andrew; Soltz, Ron

    2011-10-01

    Understanding essential properties of strongly interacting matter is arguably the most important goal of the relativistic heavy-ion programs both at RHIC and the LHC. In particular, constraining observables such as ratio of shear viscosity to entropy density, ?/s, initial temperature, Tinit, and energy density is of critical importance. For this purpose we have developed CHIMERA, Comprehensive Heavy Ion Model Reporting and Evaluation Algorithm. CHIMERA is designed to facilitate global statistical comparison of results from our multi-stage hydrodynamics/hadron cascade model of heavy ion collisions to the key soft observables (HBT, elliptic flow, spectra) measured at RHIC and the LHC. Within this framework the data representing multiple different measurements from different experiments are compiled into single format. One of the unique features of CHIMERA is, that in addition to taking into account statistical errors, it also treats different types of systematic uncertainties. The hydrodynamics/hadron cascade model used in the framework incorporates different initial state conditions, pre-equilibrium flow, the UVH2+1 viscous hydro model, Cooper-Frye freezeout, and the UrQMD hadronic cascade model. The sensitivity of the observables to the equation of state (EoS) is explored using several EoS's in the hydrodynamic evolution. The latest results from CHIMERA, including data from the LHC, will be presented.

  18. Cyclobutane amino acid analogues of furanomycin obtained by a formal [2 + 2] cycloaddition strategy promoted by methylaluminoxane.

    PubMed

    Avenoza, Alberto; Busto, Jess H; Canal, Noelia; Corzana, Francisco; Peregrina, Jess M; Prez-Fernndez, Marta; Rodrguez, Fernando

    2010-02-01

    The synthesis and conformational analysis of a new type of conformationally restricted alpha-amino acid analogue of the amino acid antibiotic furanomycin is presented. The restriction involves the cis-fused cyclobutane and tetrahydrofuran units, generating the unusual 2-oxabicyclo[3.2.0]heptane core, which is found in a great number of biologically active natural products. The synthetic strategy is based on a formal [2 + 2] cycloaddition between 2-(acylamino)acrylates as acceptor alkenes and 2,3-dihydrofuran as a donor alkene, promoted by bulky aluminum-derived Lewis acids, particularly by methylaluminoxane (MAO). Additionally, following the same strategy, the synthesis of furanomycin analogues incorporating the 2-oxabicyclo[4.2.0]octane is reported. PMID:20038109

  19. Enzymes for the resolution of alpha-tertiary-substituted carboxylic acid esters.

    PubMed

    Kallwass, H K; Yee, C; Blythe, T A; McNabb, T J; Rogers, E E; Shames, S L

    1994-07-01

    Aromatic alpha-amino-alpha-methyl acids and alpha-hydrazino-alpha-methyl acids are known aromatic amino acid decarboxylase inhibitors. Specific derivatives such as 2-amino-2-methyl-3-(3,4- dihydroxyphenyl)propanoate, Aldomet, and 2-hydrazino-2-methyl-3-(3,4- dihydroxyphenyl)propanoate, Lodosyn, have been developed as therapeutic agents to treat hypertension and Parkinson's disease, respectively. We recently reported a method for the kinetic resolution of the racemic esters of such compounds using a crude preparation of a novel enzyme catalyst from the yeast Candida lipolytica (Yee, C.; Blythe, T.A., McNabb, T.J.; Walts, A.E. J. Org. Chem. 1992, 57, 3525-3527). Here we report the purification and initial characterization of the active enzyme component, an enzyme given the name Candida lipolytica ester hydrolase (CLEH). CLEH was purified to > 95% homogeneity by chromatography on Matrex Blue B resin. The enzyme was found to be a glycoprotein with M(r) = 80,000-300,000. In addition to esterolytic activity, the enzyme was found to catalyze the hydrolysis of amides, anilides and peptides. Sequence analysis of internal peptides of CLEH revealed striking homology to a number of enzymes belonging to the group of serine carboxypeptidases (E.C. 3.4.16.1). One peptide aligned with the canonical serine carboxypeptidase active site sequence, GESYAG. Based on the structural relationship of CLEH to serine carboxypeptidases, three representative serine carboxypeptidases were evaluated for their utility in resolving racemic alpha-tertiary ester substrates and compared with the activity of CLEH. All enzymes revealed similarly high activity and enantioselectivity towards the alpha-hydrazino-alpha-methyl ester precursor of the Parkinson-drug Carbidopa. However, differences in enantioselectivity were observed with other alpha-tertiary-substituted ester substrates. Serine carboxypeptidase-catalyzed ester resolutions thus offer a new route to many sterically hindered homochiral alpha-amino, alpha-hydrazino and alpha-hydroxy carboxylic acids. PMID:7858960

  20. Photophysics of constrained tryptophan derivatives

    NASA Astrophysics Data System (ADS)

    Barkley, Mary D.; Tilstra, Luanne F.; McMahon, Lloyd P.; Vela, Marco A.; McLaughlin, Mark L.

    1990-05-01

    The aromatic amino acid tryptophan is widely used as an intrinsic fluorescent probe of the solution conformation and dynamics of peptides and proteins. However, its complex photophysics makes it difficult to interpret the fluorescence results. The biexponential fluorescence decay of the tryptophan zwitterion is presumed to be due to ground-state rotamers. Intramolecular proton and electron transfer reactions involving the excited indole ring and amino acid functional groups have been proposed to account for the lifetime differences among rotamers. Excited-state H-D exchange occurs at the C-4 position of indole. In the proposed mechanism for the photosubstitution reaction, the ammonium group loops back over the aromatic ring and assists the proton exchange.

  1. Compositionally Constraining Elysium Lava Fields

    NASA Astrophysics Data System (ADS)

    Karunatillake, S.; Button, N. E.; Skok, J. R.

    2013-12-01

    Chemical provinces of Mars defined recently [1-3] became possible with the maps of elemental mass fractions generated with Mars Odyssey Gamma and Neutron Spectrometer (GS) data [4,5]. These provide a unique perspective by representing compositional signatures distinctive of the regolith vertically at decimeter depths and laterally at hundreds of kilometer scale. Some provinces overlap compellingly with regions highlighted by other remote sensing observations, such as the Mars Radar Stealth area [3]. The spatial convergence of mutually independent data with the consequent highlight of a region provides a unique opportunity of insight not possible with a single type of remote sensing observation. Among such provinces, previous work [3] highlighted Elysium lava flows as a promising candidate on the basis of convergence with mapped geologic units identifying Elysium's lava fields generally, and Amazonian-aged lava flows specifically. The South Eastern lava flows of Elysium Mons, dating to the recent Amazonian epoch, overlap compellingly with a chemical province of K and Th depletion relative to the Martian midlatitudes. We characterize the composition, geology, and geomorphology of the SE Elysium province to constrain the confluence of geologic and alteration processes that may have contributed to its evolution. We compare this with the North Western lava fields, extending the discussion on chemical products from the thermal evolution of Martian volcanism as discussed by Baratoux et al. [6]. The chemical province, by regional proximity to Cerberus Fossae, may also reflect the influence of recently identified buried flood channels [7] in the vicinity of Orcus Patera. Despite the compelling chemical signature from ? spectra, fine grained unconsolidated sediment hampers regional VNTIR (Visible, Near, and Thermal Infrared) spectral analysis. But some observations near scarps and fresh craters allow a view of small scale mineral content. The judicious synthesis of mineralogic and chemical information, along with geomorphology, may reveal how the chemical province represents compositional signatures of younger Elysium lava flows. Several broad constraints may apply for the Elysium chemical province. The more mountainous terrain abutted by the lava flows appears of an ancient provenance distinct from the lava flows themselves. Magmatic fractionation processes locally as well as planetary differentiation during potential magma ocean overturn [3,8] may have produced compositionally distinct lava. Conclusive evidence for magmatic volatiles, aqueous alteration of the lava flows, or recent fine debris deposits, as causative factors for the compositional trends of the province, may remain lacking. Future work advancing that by Baratoux et al. [6] would develop a magmatic evolution model for Elysium on a comparative basis between the NW and SE lava fields. References [1] Taylor, G. J. et al. Geology 38, 183-186 (2010) [2] Gasnault, O. et al. Icarus 207, 226-247 (2010) [3] Karunatillake, S. et al. JGR 114, E12001 (2009) [4] Boynton, W. V. et al. JGR 112, 1-15 (2007) [5] Feldman, W. C. JGR 109, E09006 (2004) [6] Baratoux, D. et al. Nature 472, 338-41 (2011) [7] Morgan, G. A. et al. Science 607, (2013) [8] Elkins-Tanton, L. T. et al. EPSL 236, 1-12 (2005)

  2. Active constrained clustering by examining spectral Eigenvectors

    NASA Technical Reports Server (NTRS)

    Wagstaff, Kiri L.; desJardins, Marie; Xu, Qianjun

    2005-01-01

    This work focuses on the active selection of pairwise constraints for spectral clustering. We develop and analyze a technique for Active Constrained Clustering by Examining Spectral eigenvectorS (ACCESS) derived from a similarity matrix.

  3. On the Constrained Attitude Control Problem

    NASA Technical Reports Server (NTRS)

    Hadaegh, Fred Y.; Kim, Yoonsoo; Mesbahi, Mehran; Singh, Gurkipal

    2004-01-01

    In this paper, we consider various classes of constrained attitude control (CAC) problem in single and multiple spacecraft settings. After categorizing attitude constraints into four distinct types, we provide an overview of the existing approaches to this problem. We then proceed to further expand on a recent algorithmic approach to the CAC problem. The paper concludes with an example demonstrating the viability of the proposed algorithm for a multiple spacecraft constrained attitude reconfiguration scenario.

  4. A universal strategy for visual chiral recognition of α-amino acids with l-tartaric acid-capped gold nanoparticles as colorimetric probes.

    PubMed

    Song, Guoxin; Zhou, Fulin; Xu, Chunli; Li, Baoxin

    2016-02-01

    The ability to recognize and quantify the chirality of alpha-amino acids constitutes the basis of many critical areas for specific targeting in drug development and metabolite probing. It is still challenging to conveniently distinguish the enantiomer of amino acids largely due to the lack of a universal and simple strategy. In this work, we report a strategy for the visual recognition of α-amino acids. It is based on the chirality of l-tartaric acid-capped gold nanoparticles (l-TA-capped AuNPs, ca. 13 nm in diameter). All of 19 right-handed α-amino acids can induce a red-to-blue color change of l-TA-capped AuNP solution, whereas all of the left-handed amino acids (except cysteine) cannot. The chiral recognition can be achieved by the naked eye and a simple spectrophotometer. This method does not require complicated chiral modification, and excels through its low-cost, good availability of materials and its simplicity. Another notable feature of this method is its high generality, and this method can discriminate almost all native α-amino acid enantiomers. This versatile method could be potentially used for high-throughput chiral recognition of amino acids. PMID:26759834

  5. Egg Production Constrains Chemical Defenses in a Neotropical Arachnid

    PubMed Central

    Nazareth, Taís M.; Machado, Glauco

    2015-01-01

    Female investment in large eggs increases the demand for fatty acids, which are allocated for yolk production. Since the biosynthetic pathway leading to fatty acids uses the same precursors used in the formation of polyketides, allocation trade-offs are expected to emerge. Therefore, egg production should constrain the investment in chemical defenses based on polyketides, such as benzoquinones. We tested this hypothesis using the harvestman Acutiosoma longipes, which produces large eggs and releases benzoquinones as chemical defense. We predicted that the amount of secretion released by ovigerous females (OFs) would be smaller than that of non-ovigerous females (NOF). We also conducted a series of bioassays in the field and in the laboratory to test whether egg production renders OFs more vulnerable to predation. OFs produce less secretion than NOFs, which is congruent with the hypothesis that egg production constrains the investment in chemical defenses. Results of the bioassays show that the secretion released by OFs is less effective in deterring potential predators (ants and spiders) than the secretion released by NOFs. In conclusion, females allocate resources to chemical defenses in a way that preserves a primary biological function related to reproduction. However, the trade-off between egg and secretion production makes OFs vulnerable to predators. We suggest that egg production is a critical moment in the life of harvestman females, representing perhaps the highest cost of reproduction in the group. PMID:26331946

  6. Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.

    PubMed

    Giacometti, Robert D; Salinas, Juan C; stergaard, Michael E; Swayze, Eric E; Seth, Punit P; Hanessian, Stephen

    2016-02-01

    The design, synthesis and biophysical evaluation of two highly-constrained tricyclic analogues of locked nucleic acid (LNA), which restrict rotation around the C4'-C5'-exocyclic bond (torsion angle ?) and enhance hydrophobicity in the minor groove and along the major groove, are reported. A structural model that provides insights into the sugar-phosphate backbone conformations required for efficient hybridization to complementary nucleic acids is also presented. PMID:26765794

  7. Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C.

    PubMed

    Fritz-Wolf, Karin; Koller, Klaus-Peter; Lange, Gudrun; Liesum, Alexander; Sauber, Klaus; Schreuder, Herman; Aretz, Werner; Kabsch, Wolfgang

    2002-01-01

    Glutarylamidase is an important enzyme employed in the commercial production of 7-aminocephalosporanic acid, a starting compound in the synthesis of cephalosporin antibiotics. 7-aminocephalosporanic acid is obtained from cephalosporin C, a natural antibiotic, either chemically or by a two-step enzymatic process utilizing the enzymes D-amino acid oxidase and glutarylamidase. We have investigated possibilities for redesigning glutarylamidase for the production of 7-aminocephalosporanic acid from cephalosporin C in a single enzymatic step. These studies are based on the structures of glutarylamidase, which we have solved with bound phosphate and ethylene glycol to 2.5 A resolution and with bound glycerol to 2.4 A. The phosphate binds near the catalytic serine in a way that mimics the hemiacetal that develops during catalysis, while the glycerol occupies the side-chain binding pocket. Our structures show that the enzyme is not only structurally similar to penicillin G acylase but also employs essentially the same mechanism in which the alpha-amino group of the catalytic serine acts as a base. A subtle difference is the presence of two catalytic dyads, His B23/Glu B455 and His B23/Ser B1, that are not seen in penicillin G acylase. In contrast to classical serine proteases, the central histidine of these dyads interacts indirectly with the O(gamma) through a hydrogen bond relay network involving the alpha-amino group of the serine and a bound water molecule. A plausible model of the enzyme-substrate complex is proposed that leads to the prediction of mutants of glutarylamidase that should enable the enzyme to deacylate cephalosporin C into 7-aminocephalosporanic acid. PMID:11742126

  8. Spacecraft inertia estimation via constrained least squares

    NASA Technical Reports Server (NTRS)

    Keim, Jason A.; Acikmese, Behcet A.; Shields, Joel F.

    2006-01-01

    This paper presents a new formulation for spacecraft inertia estimation from test data. Specifically, the inertia estimation problem is formulated as a constrained least squares minimization problem with explicit bounds on the inertia matrix incorporated as LMIs [linear matrix inequalities). The resulting minimization problem is a semidefinite optimization that can be solved efficiently with guaranteed convergence to the global optimum by readily available algorithms. This method is applied to data collected from a robotic testbed consisting of a freely rotating body. The results show that the constrained least squares approach produces more accurate estimates of the inertia matrix than standard unconstrained least squares estimation methods.

  9. Pattern Search Methods for Linearly Constrained Minimization

    NASA Technical Reports Server (NTRS)

    Lewis, Robert Michael; Torczon, Virginia

    1998-01-01

    We extend pattern search methods to linearly constrained minimization. We develop a general class of feasible point pattern search algorithms and prove global convergence to a Karush-Kuhn-Tucker point. As in the case of unconstrained minimization, pattern search methods for linearly constrained problems accomplish this without explicit recourse to the gradient or the directional derivative. Key to the analysis of the algorithms is the way in which the local search patterns conform to the geometry of the boundary of the feasible region.

  10. Constraining the galactic magnetic field models

    NASA Astrophysics Data System (ADS)

    Keivani, Azadeh

    2012-03-01

    Ultra-high energy cosmic rays (UHECRs) are deflected by the Galactic magnetic field (GMF) on their way to Earth. If UHECR properties were well-understood, it would be straightforward to model the intervening GMF. However uncertainties on the composition and source distribution complicate the issue. An independent method of constraining GMF models is using Faraday rotation measurements (RMs) of Galactic and extra-Galactic radio sources. Here we investigate a new composite method for constraining GMF models using simultaneous fits of UHECR and RM simulations. A simulated universe of UHECRs and Galactic RMs are used to test this method.

  11. Induction of Arabidopsis tryptophan pathway enzymes and camalexin by amino acid starvation, oxidative stress, and an abiotic elicitor.

    PubMed Central

    Zhao, J; Williams, C C; Last, R L

    1998-01-01

    The tryptophan (Trp) biosynthetic pathway leads to the production of many secondary metabolites with diverse functions, and its regulation is predicted to respond to the needs for both protein synthesis and secondary metabolism. We have tested the response of the Trp pathway enzymes and three other amino acid biosynthetic enzymes to starvation for aromatic amino acids, branched-chain amino acids, or methionine. The Trp pathway enzymes and cytosolic glutamine synthetase were induced under all of the amino acid starvation test conditions, whereas methionine synthase and acetolactate synthase were not. The mRNAs for two stress-inducible enzymes unrelated to amino acid biosynthesis and accumulation of the indolic phytoalexin camalexin were also induced by amino acid starvation. These results suggest that regulation of the Trp pathway enzymes under amino acid deprivation conditions is largely a stress response to allow for increased biosynthesis of secondary metabolites. Consistent with this hypothesis, treatments with the oxidative stress-inducing herbicide acifluorfen and the abiotic elicitor alpha-amino butyric acid induced responses similar to those induced by the amino acid starvation treatments. The role of salicylic acid in herbicide-mediated Trp and camalexin induction was investigated. PMID:9501110

  12. Analytical solutions to constrained hypersonic flight trajectories

    NASA Technical Reports Server (NTRS)

    Lu, Ping

    1992-01-01

    The flight trajectory of aerospace vehicles subject to a class of path constraints is considered. The constrained dynamics is shown to be a natural two-time-scale system. Asymptotic analytical solutions are obtained. Problems of trajectory optimization and guidance can be dramatically simplified with these solutions. Applications in trajectory design for an aerospace plane strongly support the theoretical development.

  13. Thermoregulation constrains effective warning signal expression.

    PubMed

    Lindstedt, Carita; Lindström, Leena; Mappes, Johanna

    2009-02-01

    Evolution of conspicuous signals may be constrained if animal coloration has nonsignaling as well as signaling functions. In aposematic wood tiger moth (Parasemia plantaginis) larvae, the size of a warning signal (orange patch on black body) varies phenotypically and genetically. Although a large warning signal is favored as an antipredator defense, we hypothesized that thermoregulation may constrain the signal size in colder habitats. To test this hypothesis, we conducted a factorial rearing experiment with two selection lines for larval coloration (small and large signal) and with two temperature manipulations (high and low temperature environment). Temperature constrained the size and brightness of the warning signal. Larvae with a small signal had an advantage in the colder environment, which was demonstrated by a faster development time and growth rate in the low temperature treatment, compared to larvae with a large signal. Interestingly, the larvae with a small signal were found more often on the plant than the ones with a large signal, suggesting higher basking activity of the melanic (small signal) individuals in the low temperature. We conclude that the expression of aposematic display is not only defined by its efficacy against predators; variation in temperature may constrain evolution of a conspicuous warning signal and maintain variation in it. PMID:19154362

  14. Constrained Subjective Assessment of Student Learning

    ERIC Educational Resources Information Center

    Saliu, Sokol

    2005-01-01

    Student learning is a complex incremental cognitive process; assessment needs to parallel this, reporting the results in similar terms. Application of fuzzy sets and logic to the criterion-referenced assessment of student learning is considered here. The constrained qualitative assessment (CQA) system was designed, and then applied in assessing a

  15. Constrained tri-sphere kinematic positioning system

    DOEpatents

    Viola, Robert J (Jackson, WY)

    2010-12-14

    A scalable and adaptable, six-degree-of-freedom, kinematic positioning system is described. The system can position objects supported on top of, or suspended from, jacks comprising constrained joints. The system is compatible with extreme low temperature or high vacuum environments. When constant adjustment is not required a removable motor unit is available.

  16. Rhythmic Grouping Biases Constrain Infant Statistical Learning

    ERIC Educational Resources Information Center

    Hay, Jessica F.; Saffran, Jenny R.

    2012-01-01

    Linguistic stress and sequential statistical cues to word boundaries interact during speech segmentation in infancy. However, little is known about how the different acoustic components of stress constrain statistical learning. The current studies were designed to investigate whether intensity and duration each function independently as cues to

  17. Constrained Principal Component Analysis: Various Applications.

    ERIC Educational Resources Information Center

    Hunter, Michael; Takane, Yoshio

    2002-01-01

    Provides example applications of constrained principal component analysis (CPCA) that illustrate the method on a variety of contexts common to psychological research. Two new analyses, decompositions into finer components and fitting higher order structures, are presented, followed by an illustration of CPCA on contingency tables and the CPCA of…

  18. Constrained Subjective Assessment of Student Learning

    ERIC Educational Resources Information Center

    Saliu, Sokol

    2005-01-01

    Student learning is a complex incremental cognitive process; assessment needs to parallel this, reporting the results in similar terms. Application of fuzzy sets and logic to the criterion-referenced assessment of student learning is considered here. The constrained qualitative assessment (CQA) system was designed, and then applied in assessing a…

  19. A Model for Optimal Constrained Adaptive Testing.

    ERIC Educational Resources Information Center

    van der Linden, Wim J.; Reese, Lynda M.

    1998-01-01

    Proposes a model for constrained computerized adaptive testing in which the information in the test at the trait level (theta) estimate is maximized subject to the number of possible constraints on the content of the test. Test assembly relies on a linear-programming approach. Illustrates the approach through simulation with items from the Law…

  20. A Model for Optimal Constrained Adaptive Testing.

    ERIC Educational Resources Information Center

    van der Linden, Wim J.; Reese, Lynda M.

    A model for constrained computerized adaptive testing is proposed in which the information in the test at the ability estimate is maximized subject to a large variety of possible constraints on the contents of the test. At each item-selection step, a full test is first assembled to have maximum information at the current ability estimate fixing…

  1. Automation of constrained-value business forms

    SciTech Connect

    Carson, M.L.; Beaumariage, T.G.; Greitzer, F.L.

    1993-05-01

    Expert systems can improve many business tasks. However, the nature of a constrained-value business form can result in a rule base that contains circular reasoning, unsuitable for expert system implementation. A methodology is presented for restructuring such a rule base for compatibility with a backward-chaining expert system.

  2. Wastes from bioethanol and beer productions as substrates for l(+) lactic acid production - A comparative study.

    PubMed

    Djukić-Vuković, Aleksandra; Mladenović, Dragana; Radosavljević, Miloš; Kocić-Tanackov, Sunčica; Pejin, Jelena; Mojović, Ljiljana

    2016-02-01

    Waste substrates from bioethanol and beer productions are cheap, abundant and renewable substrates for biorefinery production of lactic acid (LA) and variability in their chemical composition presents a challenge in their valorisation. Three types of waste substrates, wasted bread and wasted potato stillage from bioethanol production and brewers' spent grain hydrolysate from beer production were studied as substrates for the production of l(+) LA and probiotic biomass by Lactobacillus rhamnosus ATCC 7469. The correlation of the content of free alpha amino nitrogen and the production of LA was determined as a critical characteristic of the waste media for efficient LA production by L. rhamnosus on the substrates which contained equal amount of fermentable sugars. A maximal LA productivity of 1.54gL(-1)h(-1) was obtained on wasted bread stillage media, whilst maximal productivities achieved on the potato stillage and brewers' spent grain hydrolysate media were 1.28gL(-1)h(-1)and 0.48gL(-1)h(-1), respectively. A highest LA yield of 0.91gg(-1) was achieved on wasted bread stillage media, followed by the yield of 0.81gg(-1) on wasted potato stillage and 0.34gg(-1) on brewers' spent grain hydrolysate media. The kinetics of sugar consumption in the two stillage substrates were similar while the sugar conversion in brewers' spent grain hydrolysate was slower and less efficient due to significantly lower content of free alpha amino nitrogen. The lignocellulosic hydrolysate from beer production required additional supplementation with nitrogen. PMID:26639411

  3. Geochemical processes constraining iron uptake in Strategy II Fe acquisition.

    PubMed

    Schenkeveld, W D C; Schindlegger, Y; Oburger, E; Puschenreiter, M; Hann, S; Kraemer, S M

    2014-11-01

    Phytosiderophores (PS) are natural chelating agents, exuded by graminaceous plants (grasses) for the purpose of Fe acquisition (Strategy II). They can form soluble Fe complexes with soil-Fe that can be readily taken up. PS are exuded in a diurnal pulse release, and with the start of PS release a "window of iron uptake" opens. In the present study we examined how this window is constrained in time and concentration by biogeochemical processes. For this purpose, a series of interaction experiments was done with a calcareous clay soil and the phytosiderophore 2'-deoxymugineic acid (DMA), in which metal and DMA speciation were examined as a function of time and DMA concentration. Various kinetically and thermodynamically controlled processes affected the size of the window of Fe uptake. Adsorption lowered, but did not prevent Fe mobilization by DMA. Microbial activity depleted DMA from solution, but not on time scales jeopardizing Strategy II Fe acquisition. Complexation of competing metals played an important role in constraining the window of Fe uptake, particularly at environmentally relevant PS concentrations. Our study provides a conceptual model that takes into account the chemical kinetics involved with PS-mediated Fe acquisition. The model can help to explain how success or failure of PS-mediated Fe acquisition depends on environmental conditions. PMID:25275965

  4. Geochemical Processes Constraining Iron Uptake in Strategy II Fe Acquisition

    PubMed Central

    2014-01-01

    Phytosiderophores (PS) are natural chelating agents, exuded by graminaceous plants (grasses) for the purpose of Fe acquisition (Strategy II). They can form soluble Fe complexes with soil-Fe that can be readily taken up. PS are exuded in a diurnal pulse release, and with the start of PS release a window of iron uptake opens. In the present study we examined how this window is constrained in time and concentration by biogeochemical processes. For this purpose, a series of interaction experiments was done with a calcareous clay soil and the phytosiderophore 2?-deoxymugineic acid (DMA), in which metal and DMA speciation were examined as a function of time and DMA concentration. Various kinetically and thermodynamically controlled processes affected the size of the window of Fe uptake. Adsorption lowered, but did not prevent Fe mobilization by DMA. Microbial activity depleted DMA from solution, but not on time scales jeopardizing Strategy II Fe acquisition. Complexation of competing metals played an important role in constraining the window of Fe uptake, particularly at environmentally relevant PS concentrations. Our study provides a conceptual model that takes into account the chemical kinetics involved with PS-mediated Fe acquisition. The model can help to explain how success or failure of PS-mediated Fe acquisition depends on environmental conditions. PMID:25275965

  5. Constraining the Braneworld with Gravitational Wave Observations

    NASA Technical Reports Server (NTRS)

    McWilliams, Sean T.

    2011-01-01

    Some braneworld models may have observable consequences that, if detected, would validate a requisite element of string theory. In the infinite Randall-Sundrum model (RS2), the AdS radius of curvature, L, of the extra dimension supports a single bound state of the massless graviton on the brane, thereby reproducing Newtonian gravity in the weak-field limit. However, using the AdS/CFT correspondence, it has been suggested that one possible consequence of RS2 is an enormous increase in Hawking radiation emitted by black holes. We utilize this possibility to derive two novel methods for constraining L via gravitational wave measurements. We show that the EMRI event rate detected by LISA can constrain L at the approximately 1 micron level for optimal cases, while the observation of a single galactic black hole binary with LISA results in an optimal constraint of L less than or equal to 5 microns.

  6. Constraining the braneworld with gravitational wave observations.

    PubMed

    McWilliams, Sean T

    2010-04-01

    Some braneworld models may have observable consequences that, if detected, would validate a requisite element of string theory. In the infinite Randall-Sundrum model (RS2), the AdS radius of curvature, l, of the extra dimension supports a single bound state of the massless graviton on the brane, thereby reproducing Newtonian gravity in the weak-field limit. However, using the AdS/CFT correspondence, it has been suggested that one possible consequence of RS2 is an enormous increase in Hawking radiation emitted by black holes. We utilize this possibility to derive two novel methods for constraining l via gravitational wave measurements. We show that the EMRI event rate detected by LISA can constrain l at the approximately 1 microm level for optimal cases, while the observation of a single galactic black hole binary with LISA results in an optimal constraint of l < or = 5 microm. PMID:20481929

  7. Compilation for critically constrained knowledge bases

    SciTech Connect

    Schrag, R.

    1996-12-31

    We show that many {open_quotes}critically constrained{close_quotes} Random 3SAT knowledge bases (KBs) can be compiled into disjunctive normal form easily by using a variant of the {open_quotes}Davis-Putnam{close_quotes} proof procedure. From these compiled KBs we can answer all queries about entailment of conjunctive normal formulas, also easily - compared to a {open_quotes}brute-force{close_quotes} approach to approximate knowledge compilation into unit clauses for the same KBs. We exploit this fact to develop an aggressive hybrid approach which attempts to compile a KB exactly until a given resource limit is reached, then falls back to approximate compilation into unit clauses. The resulting approach handles all of the critically constrained Random 3SAT KBs with average savings of an order of magnitude over the brute-force approach.

  8. Maximum constrained sparse coding for image representation

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Zhao, Danpei; Jiang, Zhiguo

    2015-12-01

    Sparse coding exhibits good performance in many computer vision applications by finding bases which capture highlevel semantics of the data and learning sparse coefficients in terms of the bases. However, due to the fact that bases are non-orthogonal, sparse coding can hardly preserve the samples' similarity, which is important for discrimination. In this paper, a new image representing method called maximum constrained sparse coding (MCSC) is proposed. Sparse representation with more active coefficients means more similarity information, and the infinite norm is added to the solution for this purpose. We solve the optimizer by constraining the codes' maximum and releasing the residual to other dictionary atoms. Experimental results on image clustering show that our method can preserve the similarity of adjacent samples and maintain the sparsity of code simultaneously.

  9. Constraining the Braneworld with Gravitational Wave Observations

    SciTech Connect

    McWilliams, Sean T.

    2010-04-09

    Some braneworld models may have observable consequences that, if detected, would validate a requisite element of string theory. In the infinite Randall-Sundrum model (RS2), the AdS radius of curvature, l, of the extra dimension supports a single bound state of the massless graviton on the brane, thereby reproducing Newtonian gravity in the weak-field limit. However, using the AdS/CFT correspondence, it has been suggested that one possible consequence of RS2 is an enormous increase in Hawking radiation emitted by black holes. We utilize this possibility to derive two novel methods for constraining l via gravitational wave measurements. We show that the EMRI event rate detected by LISA can constrain l at the {approx}1 {mu}m level for optimal cases, while the observation of a single galactic black hole binary with LISA results in an optimal constraint of l{<=}5 {mu}m.

  10. Constraining the Braneworld with Gravitational Wave Observations

    NASA Astrophysics Data System (ADS)

    McWilliams, Sean T.

    2010-04-01

    Some braneworld models may have observable consequences that, if detected, would validate a requisite element of string theory. In the infinite Randall-Sundrum model (RS2), the AdS radius of curvature, ?, of the extra dimension supports a single bound state of the massless graviton on the brane, thereby reproducing Newtonian gravity in the weak-field limit. However, using the AdS/CFT correspondence, it has been suggested that one possible consequence of RS2 is an enormous increase in Hawking radiation emitted by black holes. We utilize this possibility to derive two novel methods for constraining ? via gravitational wave measurements. We show that the EMRI event rate detected by LISA can constrain ? at the 1?m level for optimal cases, while the observation of a single galactic black hole binary with LISA results in an optimal constraint of ??5?m.

  11. A constrained supersymmetric left-right model

    NASA Astrophysics Data System (ADS)

    Hirsch, Martin; Krauss, Manuel E.; Opferkuch, Toby; Porod, Werner; Staub, Florian

    2016-03-01

    We present a supersymmetric left-right model which predicts gauge coupling unification close to the string scale and extra vector bosons at the TeV scale. The subtleties in constructing a model which is in agreement with the measured quark masses and mixing for such a low left-right breaking scale are discussed. It is shown that in the constrained version of this model radiative breaking of the gauge symmetries is possible and a SM-like Higgs is obtained. Additional CP-even scalars of a similar mass or even much lighter are possible. The expected mass hierarchies for the supersymmetric states differ clearly from those of the constrained MSSM. In particular, the lightest down-type squark, which is a mixture of the sbottom and extra vector-like states, is always lighter than the stop. We also comment on the model's capability to explain current anomalies observed at the LHC.

  12. Constraining Neutron Star Matter with Quantum Chromodynamics

    NASA Astrophysics Data System (ADS)

    Kurkela, Aleksi; Fraga, Eduardo S.; Schaffner-Bielich, Jrgen; Vuorinen, Aleksi

    2014-07-01

    In recent years, there have been several successful attempts to constrain the equation of state of neutron star matter using input from low-energy nuclear physics and observational data. We demonstrate that significant further restrictions can be placed by additionally requiring the pressure to approach that of deconfined quark matter at high densities. Remarkably, the new constraints turn out to be highly insensitive to the amountor even presenceof quark matter inside the stars.

  13. Constrained simulation of the Bullet Cluster

    SciTech Connect

    Lage, Craig; Farrar, Glennys

    2014-06-01

    In this work, we report on a detailed simulation of the Bullet Cluster (1E0657-56) merger, including magnetohydrodynamics, plasma cooling, and adaptive mesh refinement. We constrain the simulation with data from gravitational lensing reconstructions and the 0.5-2 keV Chandra X-ray flux map, then compare the resulting model to higher energy X-ray fluxes, the extracted plasma temperature map, Sunyaev-Zel'dovich effect measurements, and cluster halo radio emission. We constrain the initial conditions by minimizing the chi-squared figure of merit between the full two-dimensional (2D) observational data sets and the simulation, rather than comparing only a few features such as the location of subcluster centroids, as in previous studies. A simple initial configuration of two triaxial clusters with Navarro-Frenk-White dark matter profiles and physically reasonable plasma profiles gives a good fit to the current observational morphology and X-ray emissions of the merging clusters. There is no need for unconventional physics or extreme infall velocities. The study gives insight into the astrophysical processes at play during a galaxy cluster merger, and constrains the strength and coherence length of the magnetic fields. The techniques developed here to create realistic, stable, triaxial clusters, and to utilize the totality of the 2D image data, will be applicable to future simulation studies of other merging clusters. This approach of constrained simulation, when applied to well-measured systems, should be a powerful complement to present tools for understanding X-ray clusters and their magnetic fields, and the processes governing their formation.

  14. Constraining neutron star matter with quantum chromodynamics

    SciTech Connect

    Kurkela, Aleksi; Fraga, Eduardo S.; Schaffner-Bielich, Jürgen; Vuorinen, Aleksi

    2014-07-10

    In recent years, there have been several successful attempts to constrain the equation of state of neutron star matter using input from low-energy nuclear physics and observational data. We demonstrate that significant further restrictions can be placed by additionally requiring the pressure to approach that of deconfined quark matter at high densities. Remarkably, the new constraints turn out to be highly insensitive to the amount—or even presence—of quark matter inside the stars.

  15. Cosmicflows Constrained Local UniversE Simulations

    NASA Astrophysics Data System (ADS)

    Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Courtois, Helene M.; Steinmetz, Matthias; Tully, R. Brent; Pomarède, Daniel; Carlesi, Edoardo

    2016-01-01

    This paper combines observational data sets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. The latter are excellent laboratories for studies of the non-linear process of structure formation in our neighbourhood. With measurements of radial peculiar velocities in the local Universe (cosmicflows-2) and a newly developed technique, we produce Constrained Local UniversE Simulations (CLUES). To assess the quality of these constrained simulations, we compare them with random simulations as well as with local observations. The cosmic variance, defined as the mean one-sigma scatter of cell-to-cell comparison between two fields, is significantly smaller for the constrained simulations than for the random simulations. Within the inner part of the box where most of the constraints are, the scatter is smaller by a factor of 2 to 3 on a 5 h-1 Mpc scale with respect to that found for random simulations. This one-sigma scatter obtained when comparing the simulated and the observation-reconstructed velocity fields is only 104 ± 4 km s-1, i.e. the linear theory threshold. These two results demonstrate that these simulations are in agreement with each other and with the observations of our neighbourhood. For the first time, simulations constrained with observational radial peculiar velocities resemble the local Universe up to a distance of 150 h-1 Mpc on a scale of a few tens of megaparsecs. When focusing on the inner part of the box, the resemblance with our cosmic neighbourhood extends to a few megaparsecs (<5 h-1 Mpc). The simulations provide a proper large-scale environment for studies of the formation of nearby objects.

  16. Diversification on an ecologically constrained adaptive landscape.

    PubMed

    Wellborn, Gary A; Broughton, Richard E

    2008-06-01

    We used phylogenetic analysis of body-size ecomorphs in a crustacean species complex to gain insight into how spatial complexity of ecological processes generates and maintains biological diversity. Studies of geographically widespread species of Hyalella amphipods show that phenotypic evolution is tightly constrained in a manner consistent with adaptive responses to alternative predation regimes. A molecular phylogeny indicates that evolution of Hyalella ecomorphs is characterized by parallel evolution and by phenotypic stasis despite substantial levels of underlying molecular change. The phylogeny suggests that species diversification sometimes occurs by niche shifts, and sometimes occurs without a change in niche. Moreover, diversification in the Hyalella ecomorphs has involved the repeated evolution of similar phenotypic forms that exist in similar ecological settings, a hallmark of adaptive evolution. The evolutionary stasis observed in clades separated by substantial genetic divergence, but existing in similar habitats, is also suggestive of stabilizing natural selection acting to constrain phenotypic evolution within narrow bounds. We interpret the observed decoupling of genetic and phenotypic diversification in terms of adaptive radiation on an ecologically constrained adaptive landscape, and suggest that ecological constraints, perhaps acting together with genetic and functional constraints, may explain the parallel evolution and evolutionary stasis inferred by the phylogeny. PMID:18522695

  17. An English language interface for constrained domains

    NASA Technical Reports Server (NTRS)

    Page, Brenda J.

    1989-01-01

    The Multi-Satellite Operations Control Center (MSOCC) Jargon Interpreter (MJI) demonstrates an English language interface for a constrained domain. A constrained domain is defined as one with a small and well delineated set of actions and objects. The set of actions chosen for the MJI is from the domain of MSOCC Applications Executive (MAE) Systems Test and Operations Language (STOL) directives and contains directives for signing a cathode ray tube (CRT) on or off, calling up or clearing a display page, starting or stopping a procedure, and controlling history recording. The set of objects chosen consists of CRTs, display pages, STOL procedures, and history files. Translation from English sentences to STOL directives is done in two phases. In the first phase, an augmented transition net (ATN) parser and dictionary are used for determining grammatically correct parsings of input sentences. In the second phase, grammatically typed sentences are submitted to a forward-chaining rule-based system for interpretation and translation into equivalent MAE STOL directives. Tests of the MJI show that it is able to translate individual clearly stated sentences into the subset of directives selected for the prototype. This approach to an English language interface may be used for similarly constrained situations by modifying the MJI's dictionary and rules to reflect the change of domain.

  18. Constrained inversion of seismo-volcanic events

    NASA Astrophysics Data System (ADS)

    Nocerino, Luciano; D'Auria, Luca; Giudicepietro, Flora; Martini, Marcello

    2014-05-01

    The inversion of seismo-volcanic events is performed to retrieve the source geometry and to determine volumetric budgets of the source. Such observations have shown to be an important tool for the seismological monitoring of volcanoes. We developed a novel technique for the non-linear constrained inversion of low frequency seismo-volcanic events. Unconstrained linear inversion methods work well when a dense network of broadband seismometers is available. We propose a new constrained inversion technique, which has shown to be efficient also in a reduced network configuration and a low signal-noise ratio. The waveform inversion is performed in the frequency domain, constraining the source mechanism during the event to vary only in its magnitude. The eigenvectors orientation and the eigenvalue ratio are kept constant. This significantly reduces the number of parameters to invert, making the procedure more stable. The method has been tested over a synthetic dataset, reproducing realistic very-long-period (VLP) signals Stromboli volcano. We have applied the method to a VLP dataset recorded on Stromboli volcano and to low-frequency earthquakes recorded on Mt.Vesuvius.

  19. Protein Structure and Evolution: Are They Constrained Globally by a Principle Derived from Information Theory?

    PubMed Central

    Hatton, Leslie; Warr, Gregory

    2015-01-01

    That the physicochemical properties of amino acids constrain the structure, function and evolution of proteins is not in doubt. However, principles derived from information theory may also set bounds on the structure (and thus also the evolution) of proteins. Here we analyze the global properties of the full set of proteins in release 13-11 of the SwissProt database, showing by experimental test of predictions from information theory that their collective structure exhibits properties that are consistent with their being guided by a conservation principle. This principle (Conservation of Information) defines the global properties of systems composed of discrete components each of which is in turn assembled from discrete smaller pieces. In the system of proteins, each protein is a component, and each protein is assembled from amino acids. Central to this principle is the inter-relationship of the unique amino acid count and total length of a protein and its implications for both average protein length and occurrence of proteins with specific unique amino acid counts. The unique amino acid count is simply the number of distinct amino acids (including those that are post-translationally modified) that occur in a protein, and is independent of the number of times that the particular amino acid occurs in the sequence. Conservation of Information does not operate at the local level (it is independent of the physicochemical properties of the amino acids) where the influences of natural selection are manifest in the variety of protein structure and function that is well understood. Rather, this analysis implies that Conservation of Information would define the global bounds within which the whole system of proteins is constrained; thus it appears to be acting to constrain evolution at a level different from natural selection, a conclusion that appears counter-intuitive but is supported by the studies described herein. PMID:25970335

  20. Extraterrestrial amino acids at the Cretaceous-Tertiary boundary

    SciTech Connect

    Lee, N.C.; Bada, J.L.

    1985-01-01

    The Earth has apparently been impacted by numerous large asteroids (>10 km diameter) or comets throughout its history. The rate of these collisions is roughly 2-4 x 10/sup -8/ events yr/sup -1/. The collision of a large asteroid or comet with the Earth could result in the addition of extra-terrestrial organic compounds. Certain types of meteorites (C2-carbonaceous chondrites) contain a vast assortment of organics, including amino acids, aliphatic and aromatic hydrocarbons, carboxylic acids, heterocycles, and various low molecular weight compounds. Molecules important in abiotic organic syntheses are present in comets, and thus these objects are also likely rich inorganics. The authors have investigated whether the amino acid ..cap alpha..-amino isobutyric acid (AIBA) can be used to ascertain whether extraterrestrial amino acids (ETAA) were added to the Earth's surface at the proposed asteroid or comet impact event associated with the Cretaceous-Tertiary (K-T) boundary. AIBA was utilized in these studies since it is a dominant amino acid in C2-carbonaceous meteorites and only rarely occurs in terrestrial organisms. Detection of AIBA was performed using OPA pre-column derivatization-HPLC methodology. Since the AIBA fluorescent yield is increased relative to non ..cap alpha..-methyl substituted amino acids at elevated temperatures, derivatization was carried out at both room temperature and 90/sup 0/C. Ocean sediments of various geological ages were analyzed. The results indicate that only in DSDP Leg 43 K-T boundary samples are detectable levels of AIBA present.

  1. 21 CFR 888.3230 - Finger joint polymer constrained prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Finger joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3230 Finger joint polymer constrained prosthesis. (a) Identification. A finger joint polymer constrained prosthesis is a device...

  2. 21 CFR 888.3230 - Finger joint polymer constrained prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Finger joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3230 Finger joint polymer constrained prosthesis. (a) Identification. A finger joint polymer constrained prosthesis is a device...

  3. 21 CFR 888.3780 - Wrist joint polymer constrained prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Wrist joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3780 Wrist joint polymer constrained prosthesis. (a) Identification. A wrist joint polymer constrained prosthesis is a device made...

  4. 21 CFR 888.3230 - Finger joint polymer constrained prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Finger joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3230 Finger joint polymer constrained prosthesis. (a) Identification. A finger joint polymer constrained prosthesis is a device...

  5. 21 CFR 888.3720 - Toe joint polymer constrained prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Toe joint polymer constrained prosthesis. 888.3720... (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3720 Toe joint polymer constrained prosthesis. (a) Identification. A toe joint polymer constrained prosthesis is a device made of...

  6. 21 CFR 888.3780 - Wrist joint polymer constrained prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Wrist joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3780 Wrist joint polymer constrained prosthesis. (a) Identification. A wrist joint polymer constrained prosthesis is a device made...

  7. 21 CFR 888.3230 - Finger joint polymer constrained prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Finger joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3230 Finger joint polymer constrained prosthesis. (a) Identification. A finger joint polymer constrained prosthesis is a device...

  8. 21 CFR 888.3720 - Toe joint polymer constrained prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Toe joint polymer constrained prosthesis. 888.3720... (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3720 Toe joint polymer constrained prosthesis. (a) Identification. A toe joint polymer constrained prosthesis is a device made of...

  9. 21 CFR 888.3720 - Toe joint polymer constrained prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Toe joint polymer constrained prosthesis. 888.3720... (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3720 Toe joint polymer constrained prosthesis. (a) Identification. A toe joint polymer constrained prosthesis is a device made of...

  10. 21 CFR 888.3780 - Wrist joint polymer constrained prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Wrist joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3780 Wrist joint polymer constrained prosthesis. (a) Identification. A wrist joint polymer constrained prosthesis is a device made...

  11. 21 CFR 888.3720 - Toe joint polymer constrained prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Toe joint polymer constrained prosthesis. 888.3720... (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3720 Toe joint polymer constrained prosthesis. (a) Identification. A toe joint polymer constrained prosthesis is a device made of...

  12. 21 CFR 888.3780 - Wrist joint polymer constrained prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Wrist joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3780 Wrist joint polymer constrained prosthesis. (a) Identification. A wrist joint polymer constrained prosthesis is a device made...

  13. 21 CFR 888.3230 - Finger joint polymer constrained prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Finger joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3230 Finger joint polymer constrained prosthesis. (a) Identification. A finger joint polymer constrained prosthesis is a device...

  14. 21 CFR 888.3720 - Toe joint polymer constrained prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Toe joint polymer constrained prosthesis. 888.3720... (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3720 Toe joint polymer constrained prosthesis. (a) Identification. A toe joint polymer constrained prosthesis is a device made of...

  15. 21 CFR 888.3780 - Wrist joint polymer constrained prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Wrist joint polymer constrained prosthesis. 888... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3780 Wrist joint polymer constrained prosthesis. (a) Identification. A wrist joint polymer constrained prosthesis is a device made...

  16. Incomplete Dirac reduction of constrained Hamiltonian systems

    SciTech Connect

    Chandre, C.

    2015-10-15

    First-class constraints constitute a potential obstacle to the computation of a Poisson bracket in Dirac’s theory of constrained Hamiltonian systems. Using the pseudoinverse instead of the inverse of the matrix defined by the Poisson brackets between the constraints, we show that a Dirac–Poisson bracket can be constructed, even if it corresponds to an incomplete reduction of the original Hamiltonian system. The uniqueness of Dirac brackets is discussed. The relevance of this procedure for infinite dimensional Hamiltonian systems is exemplified.

  17. Constraining Cosmological Parameters Using the Correlation Function

    NASA Astrophysics Data System (ADS)

    Warrener, Michael

    2016-01-01

    As the ESA prepares to launch the space telescope Euclid in 2020, we are interested in the possibility of using its galaxy clustering observations as a new tool to constrain the cosmological constants ΩM and ΩΛ. In this work, we use data simulated by Magneticum (a high-resolution cosmological structure simulation) to model the correlation functions of both galaxies and clusters at several redshifts. We fit analytic models to the simulated data centered at the baryon acoustic oscillation peak to extract ΩM and ΩΛ. We will report the results of our latest models, and their implication for the validity of the method.

  18. Parameter Identification by Iterative Constrained Regularization

    NASA Astrophysics Data System (ADS)

    Zama, Fabiana

    2015-11-01

    Parameter identification from noisy data is an ill-posed inverse problem and data noise leads to poor solutions. Regularization methods are necessary to obtain stable solutions. In this paper we introduce the regularization by means of an iteratively weighted constraint and define an algorithm to compute the weights and solve the constrained problems using as prior information the given measurements. Although this approach is general, in the present work we prove the convergence in the case of least squares data fit with ?2 regularization term. The data reported in the numerical experiments prove the efficiency and good quality of the results.

  19. The asymptotics of large constrained graphs

    NASA Astrophysics Data System (ADS)

    Radin, Charles; Ren, Kui; Sadun, Lorenzo

    2014-05-01

    We show, through local estimates and simulation, that if one constrains simple graphs by their densities ? of edges and ? of triangles, then asymptotically (in the number of vertices) for over 95% of the possible range of those densities there is a well-defined typical graph, and it has a very simple structure: the vertices are decomposed into two subsets V1 and V2 of fixed relative size c and 1 - c, and there are well-defined probabilities of edges, gjk, between vj ? Vj, and vk ? Vk. Furthermore the four parameters c, g11, g22 and g12 are smooth functions of (?, ?) except at two smooth phase transition curves.

  20. Constrained inflaton due to a complex scalar

    SciTech Connect

    Budhi, Romy H. S.; Kashiwase, Shoichi; Suematsu, Daijiro

    2015-09-14

    We reexamine inflation due to a constrained inflaton in the model of a complex scalar. Inflaton evolves along a spiral-like valley of special scalar potential in the scalar field space just like single field inflation. Sub-Planckian inflaton can induce sufficient e-foldings because of a long slow-roll path. In a special limit, the scalar spectral index and the tensor-to-scalar ratio has equivalent expressions to the inflation with monomial potential φ{sup n}. The favorable values for them could be obtained by varying parameters in the potential. This model could be embedded in a certain radiative neutrino mass model.

  1. Quantization of soluble classical constrained systems

    SciTech Connect

    Belhadi, Z.; Menas, F.; Bérard, A.; Mohrbach, H.

    2014-12-15

    The derivation of the brackets among coordinates and momenta for classical constrained systems is a necessary step toward their quantization. Here we present a new approach for the determination of the classical brackets which does neither require Dirac’s formalism nor the symplectic method of Faddeev and Jackiw. This approach is based on the computation of the brackets between the constants of integration of the exact solutions of the equations of motion. From them all brackets of the dynamical variables of the system can be deduced in a straightforward way.

  2. Characterization of neutral amino acid transport in a marine pseudomonad.

    PubMed Central

    Fein, J E; MacLeod, R A

    1975-01-01

    The transport of neutral amino acids in marine pseudomonad B-16 (ATCC 19855) has been investigated. From patterns of competitive inhibition, mutant analysis, and kinetic data, two active transport systems with overlapping substrate specificities were distinguished and characterized. One system (DAG) served glycine, D-alanine, D-serine, and alpha-aminoisobutyric acid (AIB) and, to a lesser extent, L-alanine and possibly other related neutral D- and L-amino acids. The other system (LIV) showed high stereospecificity for neutral amino acids with the L configuration and served primarily to transport L-leucine, L-isoleucine, L-valine, and L-alanine. This system exhibited low affinity for alpha-aminoisobutyric acid. Neither system was able to recognize structural analogues with modified alpha-amino or alpha-carboxyl groups. The kinetic parameters for L-alanine transport by the DAG and LIV systems were determined with appropriate mutants defective in either system. For L-alanine, Kt values of 4.6 X 10(-5) and 1.9 X 10(-4) M and Vmax values of 6.9 and 20.8 nmol/min per mg of cell dry weight were obtained for transport via the DAG and LIV systems respectively. alpha-Aminoisobutyric acid transport heterogeneity was also resolved with the mutants, and Kt values of 2.8 X 10(-5) and 1.4 X 10(-3) M AIB were obtained for transport via the DAG and LIV systems, respectively. Both systems required Na+ for activity (0.3 M Na+ optimal) and in this regard are distinguished from systems of similar substrate specificity reported in nonmarine bacteria. PMID:1194233

  3. Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics

    PubMed Central

    Koopmanschap, Gijs; Ruijter, Eelco

    2014-01-01

    Summary In the recent past, the design and synthesis of peptide mimics (peptidomimetics) has received much attention. This because they have shown in many cases enhanced pharmacological properties over their natural peptide analogues. In particular, the incorporation of cyclic constructs into peptides is of high interest as they reduce the flexibility of the peptide enhancing often affinity for a certain receptor. Moreover, these cyclic mimics force the molecule into a well-defined secondary structure. Constraint structural and conformational features are often found in biological active peptides. For the synthesis of cyclic constrained peptidomimetics usually a sequence of multiple reactions has been applied, which makes it difficult to easily introduce structural diversity necessary for fine tuning the biological activity. A promising approach to tackle this problem is the use of multicomponent reactions (MCRs), because they can introduce both structural diversity and molecular complexity in only one step. Among the MCRs, the isocyanide-based multicomponent reactions (IMCRs) are most relevant for the synthesis of peptidomimetics because they provide peptide-like products. However, these IMCRs usually give linear products and in order to obtain cyclic constrained peptidomimetics, the acyclic products have to be cyclized via additional cyclization strategies. This is possible via incorporation of bifunctional substrates into the initial IMCR. Examples of such bifunctional groups are N-protected amino acids, convertible isocyanides or MCR-components that bear an additional alkene, alkyne or azide moiety and can be cyclized via either a deprotectioncyclization strategy, a ring-closing metathesis, a 1,3-dipolar cycloaddition or even via a sequence of multiple multicomponent reactions. The sequential IMCR-cyclization reactions can afford small cyclic peptide mimics (ranging from four- to seven-membered rings), medium-sized cyclic constructs or peptidic macrocycles (>12 membered rings). This review describes the developments since 2002 of IMCRs-cyclization strategies towards a wide variety of small cyclic mimics, medium sized cyclic constructs and macrocyclic peptidomimetics. PMID:24605172

  4. Constraining the braking indices of magnetars

    NASA Astrophysics Data System (ADS)

    Gao, Z. F.; Li, X.-D.; Wang, N.; Yuan, J. P.; Wang, P.; Peng, Q. H.; Du, Y. J.

    2016-02-01

    Because of the lack of long-term pulsed emission in quiescence and the strong timing noise, it is impossible to directly measure the braking index n of a magnetar. Based on the estimated ages of their potentially associated supernova remnants (SNRs), we estimate the values of the mean braking indices of eight magnetars with SNRs, and find that they cluster in the range of 1-42. Five magnetars have smaller mean braking indices of 1 < n < 3, and we interpret them within a combination of magneto-dipole radiation and wind-aided braking. The larger mean braking indices of n > 3 for the other three magnetars are attributed to the decay of external braking torque, which might be caused by magnetic field decay. We estimate the possible wind luminosities for the magnetars with 1 < n < 3, and the dipolar magnetic field decay rates for the magnetars with n > 3, within the updated magneto-thermal evolution models. Although the constrained range of the magnetars' braking indices is tentative, as a result of the uncertainties in the SNR ages due to distance uncertainties and the unknown conditions of the expanding shells, our method provides an effective way to constrain the magnetars' braking indices if the measurements of the SNR ages are reliable, which can be improved by future observations.

  5. Constrained Metric Learning by Permutation Inducing Isometries.

    PubMed

    Bosveld, Joel; Mahmood, Arif; Huynh, Du Q; Noakes, Lyle

    2016-01-01

    The choice of metric critically affects the performance of classification and clustering algorithms. Metric learning algorithms attempt to improve performance, by learning a more appropriate metric. Unfortunately, most of the current algorithms learn a distance function which is not invariant to rigid transformations of images. Therefore, the distances between two images and their rigidly transformed pair may differ, leading to inconsistent classification or clustering results. We propose to constrain the learned metric to be invariant to the geometry preserving transformations of images that induce permutations in the feature space. The constraint that these transformations are isometries of the metric ensures consistent results and improves accuracy. Our second contribution is a dimension reduction technique that is consistent with the isometry constraints. Our third contribution is the formulation of the isometry constrained logistic discriminant metric learning (IC-LDML) algorithm, by incorporating the isometry constraints within the objective function of the LDML algorithm. The proposed algorithm is compared with the existing techniques on the publicly available labeled faces in the wild, viewpoint-invariant pedestrian recognition, and Toy Cars data sets. The IC-LDML algorithm has outperformed existing techniques for the tasks of face recognition, person identification, and object classification by a significant margin. PMID:26595920

  6. Constraining reservoir fracture modelling with outcrop studies

    SciTech Connect

    Auzias, V.; Petit, J.P.; Rawnsley, K.

    1995-08-01

    In this study the use of quantitative outcrop studies to constrain reservoir fracture modelling is presented. As a case study Clair Field to the west of the Shetland Islands (UK) has been selected. For this example extensive outcrops are available. We aim to quantify the major influences affecting the development of the fractures in the middle and upper Devonian reservoir. These influences include the mechanical properties of the different lithological units in the reservoir and the influence of the reactivation of major fractures in the basement. The fracture pattern (tension fractures, fracture corridors and faults) is defined at centimetre, metre and kilometre scales in outcrop and aerial photographs. Both cliff sections and horizontal exposures allow the fractures in granitic basement, Devonian flagstones and sandstones. The relation between the fracture pattern and the stratigraphy is quantified. We show that the exact nature of the fracture pattern is dependent of the statigraphical position. The influence of the interface between beds on the vertical continuity of the fractures is also quantified using the bedding impedance ratio. Fractures maps in the basement, middle and upper Devonian are presented. These are compared and a fracture development history is proposed. These measurements are translated into geological rules for constraining resevoir fracture pattern models.

  7. Constraining torsion with Gravity Probe B

    SciTech Connect

    Mao Yi; Guth, Alan H.; Cabi, Serkan; Tegmark, Max

    2007-11-15

    It is well-entrenched folklore that all torsion gravity theories predict observationally negligible torsion in the solar system, since torsion (if it exists) couples only to the intrinsic spin of elementary particles, not to rotational angular momentum. We argue that this assumption has a logical loophole which can and should be tested experimentally, and consider nonstandard torsion theories in which torsion can be generated by macroscopic rotating objects. In the spirit of action=reaction, if a rotating mass like a planet can generate torsion, then a gyroscope would be expected to feel torsion. An experiment with a gyroscope (without nuclear spin) such as Gravity Probe B (GPB) can test theories where this is the case. Using symmetry arguments, we show that to lowest order, any torsion field around a uniformly rotating spherical mass is determined by seven dimensionless parameters. These parameters effectively generalize the parametrized post-Newtonian formalism and provide a concrete framework for further testing Einstein's general theory of relativity (GR). We construct a parametrized Lagrangian that includes both standard torsion-free GR and Hayashi-Shirafuji maximal torsion gravity as special cases. We demonstrate that classic solar system tests rule out the latter and constrain two observable parameters. We show that Gravity Probe B is an ideal experiment for further constraining nonstandard torsion theories, and work out the most general torsion-induced precession of its gyroscope in terms of our torsion parameters.

  8. Glassy dynamics of kinetically constrained models

    NASA Astrophysics Data System (ADS)

    Ritort, F.; Sollich, P.

    2003-06-01

    We review the use of kinetically constrained models (KCMs) for the study of dynamics in glassy systems. The characteristic feature of KCMs is that they have trivial, often non-interacting, equilibrium behaviour but interesting slow dynamics due to restrictions on the allowed transitions between configurations. The basic question which KCMs ask is therefore how much glassy physics can be understood without an underlying 'equilibrium glass transition'. After a brief review of glassy phenomenology, we describe the main model classes, which include spin-facilitated (Ising) models, constrained lattice gases, models inspired by cellular structures such as soap froths, models obtained via mappings from interacting systems without constraints, and finally related models such as urn, oscillator, tiling and needle models. We then describe the broad range of techniques that have been applied to KCMs, including exact solutions, adiabatic approximations, projection and mode-coupling techniques, diagrammatic approaches and mappings to quantum systems or effective models. Finally, we give a survey of the known results for the dynamics of KCMs both in and out of equilibrium, including topics such as relaxation time divergences and dynamical transitions, nonlinear relaxation, ageing and effective temperatures, cooperativity and dynamical heterogeneities, and finally non-equilibrium stationary states generated by external driving. We conclude with a discussion of open questions and possibilities for future work.

  9. Trajectory generation and constrained control of quadrotors

    NASA Astrophysics Data System (ADS)

    Tule, Carlos Alberto

    Unmanned Aerial Systems, although still in early development, are expected to grow in both the military and civil sectors. As part of the UAV sector, the Quadrotor helicopter platform has been receiving a lot of interest from various academic and research institutions because of their simplistic design and low cost to manufacture, yet remaining a challenging platform to control. Four different controllers were derived for the trajectory generation and constrained control of a quadrotor platform. The first approach involves the linear version of the Model Predictive Control (MPC) algorithm to solve the state constrained optimization problem. The second approach uses the State Dependent Coefficient (SDC) form to capture the system non-linearities into a pseudo-linear system matrix, which is used to derive the State Dependent Riccati Equation (SDRE) based optimal control. For the third approach, the SDC form is exploited for obtaining a nonlinear equivalent of the model predictive control. Lastly, a combination of the nonlinear MPC and SDRE optimal control algorithms is used to explore the feasibility of a near real-time nonlinear optimization technique.

  10. Multiple Manifold Clustering Using Curvature Constrained Path

    PubMed Central

    Babaeian, Amir; Bayestehtashk, Alireza; Bandarabadi, Mojtaba

    2015-01-01

    The problem of multiple surface clustering is a challenging task, particularly when the surfaces intersect. Available methods such as Isomap fail to capture the true shape of the surface near by the intersection and result in incorrect clustering. The Isomap algorithm uses shortest path between points. The main draw back of the shortest path algorithm is due to the lack of curvature constrained where causes to have a path between points on different surfaces. In this paper we tackle this problem by imposing a curvature constraint to the shortest path algorithm used in Isomap. The algorithm chooses several landmark nodes at random and then checks whether there is a curvature constrained path between each landmark node and every other node in the neighborhood graph. We build a binary feature vector for each point where each entry represents the connectivity of that point to a particular landmark. Then the binary feature vectors could be used as a input of conventional clustering algorithm such as hierarchical clustering. We apply our method to simulated and some real datasets and show, it performs comparably to the best methods such as K-manifold and spectral multi-manifold clustering. PMID:26375819

  11. Constraining dark matter through 21-cm observations

    NASA Astrophysics Data System (ADS)

    Valdés, M.; Ferrara, A.; Mapelli, M.; Ripamonti, E.

    2007-05-01

    Beyond reionization epoch cosmic hydrogen is neutral and can be directly observed through its 21-cm line signal. If dark matter (DM) decays or annihilates, the corresponding energy input affects the hydrogen kinetic temperature and ionized fraction, and contributes to the Lyα background. The changes induced by these processes on the 21-cm signal can then be used to constrain the proposed DM candidates, among which we select the three most popular ones: (i) 25-keV decaying sterile neutrinos, (ii) 10-MeV decaying light dark matter (LDM) and (iii) 10-MeV annihilating LDM. Although we find that the DM effects are considerably smaller than found by previous studies (due to a more physical description of the energy transfer from DM to the gas), we conclude that combined observations of the 21-cm background and of its gradient should be able to put constrains at least on LDM candidates. In fact, LDM decays (annihilations) induce differential brightness temperature variations with respect to the non-decaying/annihilating DM case up to ΔδTb = 8 (22) mK at about 50 (15) MHz. In principle, this signal could be detected both by current single-dish radio telescopes and future facilities as Low Frequency Array; however, this assumes that ionospheric, interference and foreground issues can be properly taken care of.

  12. Intersecting transcription networks constrain gene regulatory evolution

    PubMed Central

    Sorrells, Trevor R; Booth, Lauren N; Tuch, Brian B; Johnson, Alexander D

    2015-01-01

    Epistasis—the non-additive interactions between different genetic loci—constrains evolutionary pathways, blocking some and permitting others1–8. For biological networks such as transcription circuits, the nature of these constraints and their consequences are largely unknown. Here we describe the evolutionary pathways of a transcription network that controls the response to mating pheromone in yeasts9. A component of this network, the transcription regulator Ste12, has evolved two different modes of binding to a set of its target genes. In one group of species, Ste12 binds to specific DNA binding sites, while in another lineage it occupies DNA indirectly, relying on a second transcription regulator to recognize DNA. We show, through the construction of various possible evolutionary intermediates, that evolution of the direct mode of DNA binding was not directly accessible to the ancestor. Instead, it was contingent on a lineage-specific change to an overlapping transcription network with a different function, the specification of cell type. These results show that analyzing and predicting the evolution of cis-regulatory regions requires an understanding of their positions in overlapping networks, as this placement constrains the available evolutionary pathways. PMID:26153861

  13. Ocean acidification-induced food quality deterioration constrains trophic transfer.

    PubMed

    Rossoll, Dennis; Bermdez, Rafael; Hauss, Helena; Schulz, Kai G; Riebesell, Ulf; Sommer, Ulrich; Winder, Monika

    2012-01-01

    Our present understanding of ocean acidification (OA) impacts on marine organisms caused by rapidly rising atmospheric carbon dioxide (CO(2)) concentration is almost entirely limited to single species responses. OA consequences for food web interactions are, however, still unknown. Indirect OA effects can be expected for consumers by changing the nutritional quality of their prey. We used a laboratory experiment to test potential OA effects on algal fatty acid (FA) composition and resulting copepod growth. We show that elevated CO(2) significantly changed the FA concentration and composition of the diatom Thalassiosira pseudonana, which constrained growth and reproduction of the copepod Acartia tonsa. A significant decline in both total FAs (28.1 to 17.4 fg cell(-1)) and the ratio of long-chain polyunsaturated to saturated fatty acids (PUFA:SFA) of food algae cultured under elevated (750 atm) compared to present day (380 atm) pCO(2) was directly translated to copepods. The proportion of total essential FAs declined almost tenfold in copepods and the contribution of saturated fatty acids (SFAs) tripled at high CO(2). This rapid and reversible CO(2)-dependent shift in FA concentration and composition caused a decrease in both copepod somatic growth and egg production from 34 to 5 eggs female(-1) day(-1). Because the diatom-copepod link supports some of the most productive ecosystems in the world, our study demonstrates that OA can have far-reaching consequences for ocean food webs by changing the nutritional quality of essential macromolecules in primary producers that cascade up the food web. PMID:22509351

  14. T Cell Determinants Incorporating [beta]-Amino Acid Residues Are Protease Resistant and Remain Immunogenic In Vivo

    SciTech Connect

    Webb, Andrew I.; Dunstone, Michelle A.; Williamson, Nicholas A.; Price, Jason D.; Kauwe, Andreade; Chen, Weisan; Oakley, Aaron; Perlmutter, Patrick; McCluskey, James; Aguilar, Marie-Isabel; Rossjohn, Jamie; Purcell, Anthony W.

    2010-07-20

    A major hurdle in designing successful epitope-based vaccines resides in the delivery, stability, and immunogenicity of the peptide immunogen. The short-lived nature of unmodified peptide-based vaccines in vivo limits their therapeutic application in the immunotherapy of cancers and chronic viral infections as well as their use in generating prophylactic immunity. The incorporation of {beta}-amino acids into peptides decreases proteolysis, yet its potential application in the rational design of T cell mimotopes is poorly understood. To address this, we have replaced each residue of the SIINFEKL epitope individually with the corresponding {beta}-amino acid and examined the resultant efficacy of these mimotopes. Some analogs displayed similar MHC binding and superior protease stability compared with the native epitope. Importantly, these analogs were able to generate cross-reactive CTLs in vivo that were capable of lysing tumor cells that expressed the unmodified epitope as a surrogate tumor Ag. Structural analysis of peptides in which anchor residues were substituted with {beta}-amino acids revealed the basis for enhanced MHC binding and retention of immunogenicity observed for these analogs and paves the way for future vaccine design using {beta}-amino acids. We conclude that the rational incorporation of {beta}-amino acids into T cell determinants is a powerful alternative to the traditional homologous substitution of randomly chosen naturally occurring {alpha}-amino acids, and these mimotopes may prove particularly useful for inclusion in epitope-based vaccines.

  15. Identification of nitrogen mineralization enzymes, L-amino acid oxidases, from the ectomycorrhizal fungi Hebeloma spp. and Laccaria bicolor.

    PubMed

    Nuutinen, Jaro T; Timonen, Sari

    2008-12-01

    Amino acids are major nitrogen sources in soils and they harbour a central position in the nitrogen metabolism of cells. We determined whether Hebeloma spp. and Laccaria bicolor expressed the enzyme L-amino acid oxidase (LAO), which catalyses the oxidative deamination of the alpha-amino group of L-amino acids. We measured LAO activities from the mycelial extracts of seven laboratory-grown fungal strains with three methods, and we measured how LAO activities were expressed in one Hebeloma sp. strain grown on four nitrogen sources. Hebeloma spp. and L. bicolor converted L-phenylalanine, but not D-phenylalanine, to hydrogen peroxide, 2-oxoacid, and ammonia, suggesting that they expressed LAO enzymes. The enzymes utilized five out of seven tested L-amino acids as substrates. LAO activities were maximal at pH 8, where Michaelis constant (Km) values were 2-5mm. The LAO of Hebeloma sp. was expressed on every nitrogen source analysed, and the activities were the highest in mycelia grown in nitrogen-rich conditions. We suggest that LAO is a mechanism for cellular amino acid catabolism in Hebeloma spp. and L. bicolor. Many soil bacteria and fungi also express LAO enzymes that have broad substrate specificities. Therefore, LAO is a potential candidate for a mechanism that catalyses nitrogen mineralization from amino acids at the ecosystem level. PMID:18675352

  16. Extraterrestrial amino acids in Cretaceous/Tertiary boundary sediments at Stevns Klint, Denmark.

    PubMed

    Zhao, M; Bada, J L

    1989-06-01

    Since the discovery nearly a decade ago that Cretaceous/Tertiary (K/T) boundary layers are greatly enriched in iridium, a rare element in the Earth's crust, there has been intense controversy on the relationship between this Ir anomaly and the massive extinction of organisms ranging from dinosaurs to marine plankton that characterizes the K/T boundary. Convincing evidence suggests that both the Ir spike and the extinction event were caused by the collision of a large bolide (greater than 10 km in diameter) with the Earth. Alternative explanations claim that extensive, violent volcanism can account for the Ir, and that other independent causes were responsible for the mass extinctions. We surmise that the collision of a massive extraterrestrial object with the Earth may have produced a unique organic chemical signature because certain meteorites, and probably comets, contain organic compounds which are either rare or non-existent on the Earth. In contrast, no organic compounds would be expected to be associated with volcanic processes. Here we find that K/T boundary sediments at Stevns Klint, Denmark, contain both alpha-amino-isobutyric acid [AIB,(CH3)2CNH2COOH] and racemic isovaline [ISOVAL, CH3CH2(CH3)CNH2COOH], two amino acids that are exceedingly rare on the Earth but which are major amino acids in carbonaceous chondrites. An extraterrestrial source is the most reasonable explanation for the presence of these amino acids. PMID:2725679

  17. Steroselective synthesis and application of L-( sup 15 N) amino acids

    SciTech Connect

    Unkefer, C.J. ); Lodwig, S.N. . Div. of Science)

    1991-01-01

    We have developed two general approaches to the stereoselective synthesis of {sup 15}N- and {sup 13}C-labeled amino acids. First, labeled serine, biosynthesized using the methylotrophic bacterium M. extorquens AM1, serves as a chiral precursor for the synthesis of other amino acids. For example, pyridoxal phosphate enzymes can be used for the conversion of L-({alpha}-{sup 15}N)serine to L-({alpha}-{sup 15}N)tyrosine, L-({alpha}-{sup 15}N)tryptophan, and L-({alpha}-{sup 15}N)cysteine. In the second approach, developed by Oppolzer and Tamura, an electrophilic amination'' reagent, 1-chloro-1-nitrosocyclohexane, was used to convert chiral enolates into L-{alpha}-amino acids. We prepared 1-chloro-1-({sup 15}N) nitrosocyclohexane and used it to aminate chiral enolates to produce L-({alpha}-{sup 15}N)amino acids. The stereoselectivity of this scheme using the Oppolzer sultam chiral auxiliary is remarkable, producing enantiomer ratios of 200 to 1. 22 refs., 4 figs.

  18. Molecular basis for amino acid sensing by family C G-protein-coupled receptors.

    PubMed

    Wellendorph, P; Bruner-Osborne, H

    2009-03-01

    Family C of human G-protein-coupled receptors (GPCRs) is constituted by eight metabotropic glutamate receptors, two gamma-aminobutyric acid type B (GABA(B1-2)) subunits forming the heterodimeric GABA(B) receptor, the calcium-sensing receptor, three taste1 receptors (T1R1-3), a promiscuous L-alpha;-amino acid receptor G-protein-coupled receptor family C, group 6, subtype A (GPRC6A) and seven orphan receptors. Aside from the orphan receptors, the family C GPCRs are dimeric receptors characterized by a large extracellular Venus flytrap domain which bind the endogenous agonists. Except from the GABA(B1-2) and T1R2-3 receptor, all receptors are either activated or positively modulated by amino acids. In this review, we outline mutational, biophysical and structural studies which have elucidated the interaction of the amino acids with the Venus flytrap domains, molecular mechanisms of receptor selectivity and the initial steps in receptor activation. PMID:19298394

  19. Constraining cosmology with the Halo Occupation Distribution

    NASA Astrophysics Data System (ADS)

    Tinker, Jeremy L.

    The bias of galaxies with respect to the underlying matter distribution has long been an obstacle to constraining cosmology from measurements of galaxy clustering. Recent advancements in quantifying bias have made it possible to model galaxy clustering from linear to strongly non-linear scales, creating unique methods through which to constrain cosmological parameters that are complementary to more standard, large-scale techniques. These advances are encapsulated in the Halo Occupation Distribution (HOD), in which the bias of galaxies is described at the level of individual dark matter halos. For a given cosmological model, the parameters that specify the number of galaxies that reside in each halo can be constrained by measurements of the galaxy correlation function. With these HOD parameters, the given cosmology model can be tested through a number of other clustering measures that are more sensitive to the underlying dark matter distribution. The clustering measures I investigate in this thesis are mass-to-light ratios, redshift-space distortions, and galaxy void statistics. Mass-to-light ratios of galaxy clusters are uniquely suited to the halo occupation approach because the HOD can specify the number of galaxies in a halo as a function of luminosity. Galaxy bias directly influences the amount of light per unit mass in a cosmological model. I combine HOD models with observational measurements of cluster M/L ratios to test varying cosmologies. Using the HOD to model galaxy clustering in redshift-space allows one to combine data from small and large scales to break the degeneracies that govern the application of models based on linear theory alone. I use numerical simulations to calibrate a new analytic model and apply this model to observations of the redshift-space correlation function from the Sloan Digital Sky Survey. Galaxy voids prove to be insensitive to the details of halo occupation or the cosmological model assumed. This makes void statistics a sensitive test for the underlying assumption of the HOD, which states that galaxy occupation is a function of halo mass only, and not dependent on larger- scale environment. Quantifying the limits of this assumption are necessary for confidence in the constraints the HOD places on cosmology, and for testing our current picture of galaxy formation.

  20. Perceived visual speed constrained by image segmentation

    NASA Technical Reports Server (NTRS)

    Verghese, P.; Stone, L. S.

    1996-01-01

    Little is known about how or where the visual system parses the visual scene into objects or surfaces. However, it is generally assumed that the segmentation and grouping of pieces of the image into discrete entities is due to 'later' processing stages, after the 'early' processing of the visual image by local mechanisms selective for attributes such as colour, orientation, depth, and motion. Speed perception is also thought to be mediated by early mechanisms tuned for speed. Here we show that manipulating the way in which an image is parsed changes the way in which local speed information is processed. Manipulations that cause multiple stimuli to appear as parts of a single patch degrade speed discrimination, whereas manipulations that perceptually divide a single large stimulus into parts improve discrimination. These results indicate that processes as early as speed perception may be constrained by the parsing of the visual image into discrete entities.

  1. Multifiber pathway reconstruction using bundle constrained streamline.

    PubMed

    Chu, Chun-Yu; Huang, Jian-Ping; Sun, Chang-Yu; Zhang, Yan-Li; Liu, Wan-Yu; Zhu, Yue-Min

    2015-12-01

    Fiber tractography techniques in diffusion magnetic resonance imaging have become a primary tool for studying the fiber architecture of biological tissues both noninvasively and in vivo. Streamline tracking, as a simple and efficient tractography technique, is widely used to reconstruct fiber pathways. It is however very sensitive to noisy estimation of local fiber orientations. In this paper, we propose a bundle constrained streamline method to accurately reconstruct multifiber pathways. The method introduces neighboring fiber consistency constraint in the tracking process and reconstructs fiber pathways that have optimal tradeoff between consistency with local fiber orientation estimations and similarity with neighboring fiber segment orientations. Results on synthetic, physical phantom and real human brain DW images show that the proposed method allows regular fiber pathways to be reconstructed and outperforms existing techniques. PMID:26342757

  2. Constraining The Hot Jupiter Kozai Mechanism Connection

    NASA Astrophysics Data System (ADS)

    Croll, Bryce; Murray, N.; Marcy, G. W.; Wright, J. T.; Cumming, A.

    2007-12-01

    We have performed a systematic analysis to search for long-term trends in the radial velocity residuals of more than 120 exoplanetary hosts from the California-Carnegie Planet Search team to confirm or constrain the role that the Kozai mechanism plays in causing the hot Jupiter pile-up (an excess of exoplanets with 3-4 d periods). These long-term linear trends are likely indicative of stellar or substellar companions that could have induced the known exoplanet to migrate to its present position via the Kozai mechanism. Preliminary results suggest that the frequency of long-term linear trends are statistically similar in the hot Jupiter and the rest of the exoplanetary sample, thus suggesting that Kozai migration is not responsible for the majority of hot Jupiters.

  3. Disappearance and Creation of Constrained Amorphous Phase

    NASA Astrophysics Data System (ADS)

    Cebe, Peggy; Lu, Sharon X.

    1997-03-01

    We report observation of the disappearance and recreation of rigid, or constrained, amorphous phase by sequential thermal annealing. Tempera- ture modulated differential scanning calorimetry (MDSC) is used to study the glass transition and lower melting endotherm after annealing. Cold crystallization of poly(phenylene sulfide), PPS, at a temperature just above Tg creates an initial large fraction of rigid amorphous phase (RAP). Brief, rapid annealing to a higher temperature causes RAP almost to disappear completely. Subsequent reannealing at the original lower temperature restores RAP to its original value. At the same time that RAP is being removed, Tg decreases; when RAP is restored, Tg also returns to its initial value. The crystal fraction remains unaffected by the annealing sequence.

  4. Structure-constrained low-rank representation.

    PubMed

    Tang, Kewei; Liu, Risheng; Su, Zhixun; Zhang, Jie

    2014-12-01

    Benefiting from its effectiveness in subspace segmentation, low-rank representation (LRR) and its variations have many applications in computer vision and pattern recognition, such as motion segmentation, image segmentation, saliency detection, and semisupervised learning. It is known that the standard LRR can only work well under the assumption that all the subspaces are independent. However, this assumption cannot be guaranteed in real-world problems. This paper addresses this problem and provides an extension of LRR, named structure-constrained LRR (SC-LRR), to analyze the structure of multiple disjoint subspaces, which is more general for real vision data. We prove that the relationship of multiple linear disjoint subspaces can be exactly revealed by SC-LRR, with a predefined weight matrix. As a nontrivial byproduct, we also illustrate that SC-LRR can be applied for semisupervised learning. The experimental results on different types of vision problems demonstrate the effectiveness of our proposed method. PMID:25420240

  5. Constrained optimization using design of experiment surfaces

    NASA Technical Reports Server (NTRS)

    Bolt, Marvin Vance

    1990-01-01

    An algorithm for solving constrained optimization problems is presented. First, design of experiment techniques are used to survey the design space. After evaluating the objective and constraint functions, as specified by Taguchi orthogonal arrays, analytical models of these functions are generated using a least-squares regression analysis. Next, a nonlinear programming package is used to optimize the analytical model. Based on the optimization information, the design space is reduced so as to close in around the minimum, and the entire procedure is repeated until convergence. An important feature of the algorithm is that function gradients are not required; therefore, for problems in which gradients would have to be estimated using finite-differences the number of function evaluations required for the optimization is significantly reduced, when compared with traditional nonlinear programming techniques. In addition, there is no requirement that the gradients must be smooth and continuous.

  6. Constraining cosmology with pairwise velocity estimator

    NASA Astrophysics Data System (ADS)

    Ma, Yin-Zhe; Li, Min; He, Ping

    2015-11-01

    In this paper, we develop a full statistical method for the pairwise velocity estimator previously proposed, and apply Cosmicflows-2 catalogue to this method to constrain cosmology. We first calculate the covariance matrix for line-of-sight velocities for a given catalogue, and then simulate the mock full-sky surveys from it, and then calculate the variance for the pairwise velocity field. By applying the 8315 independent galaxy samples and compressed 5224 group samples from Cosmicflows-2 catalogue to this statistical method, we find that the joint constraint on ?m0.6h and ?8 is completely consistent with the WMAP 9-year and Planck 2015 best-fitting cosmology. Currently, there is no evidence for the modified gravity models or any dynamic dark energy models from this practice, and the error-bars need to be reduced in order to provide any concrete evidence against/to support ?CDM cosmology.

  7. Regions of constrained maximum likelihood parameter identifiability

    NASA Technical Reports Server (NTRS)

    Lee, C.-H.; Herget, C. J.

    1975-01-01

    This paper considers the parameter identification problem of general discrete-time, nonlinear, multiple-input/multiple-output dynamic systems with Gaussian-white distributed measurement errors. Knowledge of the system parameterization is assumed to be known. Regions of constrained maximum likelihood (CML) parameter identifiability are established. A computation procedure employing interval arithmetic is proposed for finding explicit regions of parameter identifiability for the case of linear systems. It is shown that if the vector of true parameters is locally CML identifiable, then with probability one, the vector of true parameters is a unique maximal point of the maximum likelihood function in the region of parameter identifiability and the CML estimation sequence will converge to the true parameters.

  8. Constraining dark sectors with monojets and dijets

    NASA Astrophysics Data System (ADS)

    Chala, Mikael; Kahlhoefer, Felix; McCullough, Matthew; Nardini, Germano; Schmidt-Hoberg, Kai

    2015-07-01

    We consider dark sector particles (DSPs) that obtain sizeable interactions with Standard Model fermions from a new mediator. While these particles can avoid observation in direct detection experiments, they are strongly constrained by LHC measurements. We demonstrate that there is an important complementarity between searches for DSP production and searches for the mediator itself, in particular bounds on (broad) dijet resonances. This observation is crucial not only in the case where the DSP is all of the dark matter but whenever — precisely due to its sizeable interactions with the visible sector — the DSP annihilates away so efficiently that it only forms a dark matter subcomponent. To highlight the different roles of DSP direct detection and LHC monojet and dijet searches, as well as perturbativity constraints, we first analyse the exemplary case of an axial-vector mediator and then generalise our results. We find important implications for the interpretation of LHC dark matter searches in terms of simplified models.

  9. Arithmetic coding with constrained carry operations

    NASA Astrophysics Data System (ADS)

    Mahfoodh, Abo-Talib; Said, Amir; Yea, Sehoon

    2015-03-01

    Buffer or counter-based techniques are adequate for dealing with carry propagation in software implementations of arithmetic coding, but create problems in hardware implementations due to the difficulty of handling worst-case scenarios, defined by very long propagations. We propose a new technique for constraining the carry propagation, similar to "bit-stuffing," but designed for encoders that generate data as bytes instead of individual bits, and is based on the fact that the encoder and decoder can maintain the same state, and both can identify the situations when it desired to limit carry propagation. The new technique adjusts the coding interval in a way that corresponds to coding an unused data symbol, but selected to minimize overhead. Our experimental results demonstrate that the loss in compression can be made very small using regular precision for arithmetic operations.

  10. Topological impact of constrained fracture growth

    NASA Astrophysics Data System (ADS)

    Hope, Sigmund; Davy, Philippe; Maillot, Julien; Le Goc, Romain; Hansen, Alex

    2015-09-01

    The topology of two discrete fracture network models is compared to investigate the impact of constrained fracture growth. In the Poissonian discrete fracture network model the fractures are assigned length, position and orientation independent of all other fractures, while in the mechanical discrete fracture network model the fractures grow and the growth can be limited by the presence of other fractures. The topology is found to be impacted by both the choice of model, as well as the choice of rules for the mechanical model. A significant difference is the degree mixing. In two dimensions the Poissonian model results in assortative networks, while the mechanical model results in disassortative networks. In three dimensions both models produce disassortative networks, but the disassortative mixing is strongest for the mechanical model.

  11. Mixed-Strategy Chance Constrained Optimal Control

    NASA Technical Reports Server (NTRS)

    Ono, Masahiro; Kuwata, Yoshiaki; Balaram, J.

    2013-01-01

    This paper presents a novel chance constrained optimal control (CCOC) algorithm that chooses a control action probabilistically. A CCOC problem is to find a control input that minimizes the expected cost while guaranteeing that the probability of violating a set of constraints is below a user-specified threshold. We show that a probabilistic control approach, which we refer to as a mixed control strategy, enables us to obtain a cost that is better than what deterministic control strategies can achieve when the CCOC problem is nonconvex. The resulting mixed-strategy CCOC problem turns out to be a convexification of the original nonconvex CCOC problem. Furthermore, we also show that a mixed control strategy only needs to "mix" up to two deterministic control actions in order to achieve optimality. Building upon an iterative dual optimization, the proposed algorithm quickly converges to the optimal mixed control strategy with a user-specified tolerance.

  12. Constraining CO emission estimates using atmospheric observations

    NASA Astrophysics Data System (ADS)

    Hooghiemstra, P. B.

    2012-06-01

    We apply a four-dimensional variational (4D-Var) data assimilation system to optimize carbon monoxide (CO) emissions and to reduce the uncertainty of emission estimates from individual sources using the chemistry transport model TM5. In the first study only a limited amount of surface network observations from the National Oceanic and Atmospheric Administration Earth System Research Laboratory (NOAA/ESRL) Global Monitoring Division (GMD) is used to test the 4D-Var system. Uncertainty reduction up to 60% in yearly emissions is observed over well-constrained regions and the inferred emissions compare well with recent studies for 2004. However, since the observations only constrain total CO emissions, the 4D-Var system has difficulties separating anthropogenic and biogenic sources in particular. The inferred emissions are validated with NOAA aircraft data over North America and the agreement is significantly improved from the prior to posterior simulation. Validation with the Measurements Of Pollution In The Troposphere (MOPITT) instrument shows a slight improved agreement over the well-constrained Northern Hemisphere and in the tropics (except for the African continent). However, the model simulation with posterior emissions underestimates MOPITT CO total columns on the remote Southern Hemisphere (SH) by about 10%. This is caused by a reduction in SH CO sources mainly due to surface stations on the high southern latitudes. In the second study, we compare two global inversions to estimate carbon monoxide (CO) emissions for 2004. Either surface flask observations from NOAA or CO total columns from the MOPITT instrument are assimilated in a 4D-Var framework. In the Southern Hemisphere (SH) three important findings are reported. First, due to their different vertical sensitivity, the stations-only inversion increases SH biomass burning emissions by 108 Tg CO/yr more than the MOPITT-only inversion. Conversely, the MOPITT-only inversion results in SH natural emissions (mainly CO from oxidation of NMVOCs) that are 185 Tg CO/yr higher compared to the stations-only inversion. Second, MOPITT-only derived biomass burning emissions are reduced with respect to the prior which is in contrast to previous (inverse) modeling studies. Finally, MOPITT derived total emissions are significantly higher for South America and Africa compared to the stations-only inversion. This is likely due to a positive bias in the MOPITT V4 product. This bias is also apparent from validation with surface stations and ground-truth FTIR columns. In the final study we present the first inverse modeling study to estimate CO emissions constrained by both surface (NOAA) and satellite (MOPITT) observations using a bias correction scheme. This approach leads to the identification of a positive bias of maximum 5 ppb in MOPITT column-averaged CO mixing ratios in the remote Southern Hemisphere (SH). The 4D-Var system is used to estimate CO emissions over South America in the period 2006-2010 and to analyze the interannual variability (IAV) of these emissions. We infer robust, high spatial resolution CO emission estimates that show slightly smaller IAV due to fires compared to the Global Fire Emissions Database (GFED3) prior emissions. Moreover, CO emissions probably associated with pre-harvest burning of sugar cane plantations are underestimated in current inventories by 50-100%.

  13. Multiplier-continuation algorthms for constrained optimization

    NASA Technical Reports Server (NTRS)

    Lundberg, Bruce N.; Poore, Aubrey B.; Bing, Yang

    1989-01-01

    Several path following algorithms based on the combination of three smooth penalty functions, the quadratic penalty for equality constraints and the quadratic loss and log barrier for inequality constraints, their modern counterparts, augmented Lagrangian or multiplier methods, sequential quadratic programming, and predictor-corrector continuation are described. In the first phase of this methodology, one minimizes the unconstrained or linearly constrained penalty function or augmented Lagrangian. A homotopy path generated from the functions is then followed to optimality using efficient predictor-corrector continuation methods. The continuation steps are asymptotic to those taken by sequential quadratic programming which can be used in the final steps. Numerical test results show the method to be efficient, robust, and a competitive alternative to sequential quadratic programming.

  14. Statistical mechanics of budget-constrained auctions

    NASA Astrophysics Data System (ADS)

    Altarelli, F.; Braunstein, A.; Realpe-Gomez, J.; Zecchina, R.

    2009-07-01

    Finding the optimal assignment in budget-constrained auctions is a combinatorial optimization problem with many important applications, a notable example being in the sale of advertisement space by search engines (in this context the problem is often referred to as the off-line AdWords problem). On the basis of the cavity method of statistical mechanics, we introduce a message-passing algorithm that is capable of solving efficiently random instances of the problem extracted from a natural distribution, and we derive from its properties the phase diagram of the problem. As the control parameter (average value of the budgets) is varied, we find two phase transitions delimiting a region in which long-range correlations arise.

  15. Constrained KP models as integrable matrix hierarchies

    SciTech Connect

    Aratyn, H.; Ferreira, L.A.; Gomes, J.F.; Zimerman, A.H.

    1997-03-01

    We formulate the constrained KP hierarchy (denoted by cKP {sub K+1,M}) as an affine [cflx sl](M+K+1) matrix integrable hierarchy generalizing the Drinfeld{endash}Sokolov hierarchy. Using an algebraic approach, including the graded structure of the generalized Drinfeld{endash}Sokolov hierarchy, we are able to find several new universal results valid for the cKP hierarchy. In particular, our method yields a closed expression for the second bracket obtained through Dirac reduction of any untwisted affine Kac{endash}Moody current algebra. An explicit example is given for the case [cflx sl](M+K+1), for which a closed expression for the general recursion operator is also obtained. We show how isospectral flows are characterized and grouped according to the semisimple {ital non-regular} element E of sl(M+K+1) and the content of the center of the kernel of E. {copyright} {ital 1997 American Institute of Physics.}

  16. Sampling Motif-Constrained Ensembles of Networks.

    PubMed

    Fischer, Rico; Leito, Jorge C; Peixoto, Tiago P; Altmann, Eduardo G

    2015-10-30

    The statistical significance of network properties is conditioned on null models which satisfy specified properties but that are otherwise random. Exponential random graph models are a principled theoretical framework to generate such constrained ensembles, but which often fail in practice, either due to model inconsistency or due to the impossibility to sample networks from them. These problems affect the important case of networks with prescribed clustering coefficient or number of small connected subgraphs (motifs). In this Letter we use the Wang-Landau method to obtain a multicanonical sampling that overcomes both these problems. We sample, in polynomial time, networks with arbitrary degree sequences from ensembles with imposed motifs counts. Applying this method to social networks, we investigate the relation between transitivity and homophily, and we quantify the correlation between different types of motifs, finding that single motifs can explain up to 60% of the variation of motif profiles. PMID:26565509

  17. Remote gaming on resource-constrained devices

    NASA Astrophysics Data System (ADS)

    Reza, Waazim; Kalva, Hari; Kaufman, Richard

    2010-08-01

    Games have become important applications on mobile devices. A mobile gaming approach known as remote gaming is being developed to support games on low cost mobile devices. In the remote gaming approach, the responsibility of rendering a game and advancing the game play is put on remote servers instead of the resource constrained mobile devices. The games rendered on the servers are encoded as video and streamed to mobile devices. Mobile devices gather user input and stream the commands back to the servers to advance game play. With this solution, mobile devices with video playback and network connectivity can become game consoles. In this paper we present the design and development of such a system and evaluate the performance and design considerations to maximize the end user gaming experience.

  18. Sampling Motif-Constrained Ensembles of Networks

    NASA Astrophysics Data System (ADS)

    Fischer, Rico; Leitão, Jorge C.; Peixoto, Tiago P.; Altmann, Eduardo G.

    2015-10-01

    The statistical significance of network properties is conditioned on null models which satisfy specified properties but that are otherwise random. Exponential random graph models are a principled theoretical framework to generate such constrained ensembles, but which often fail in practice, either due to model inconsistency or due to the impossibility to sample networks from them. These problems affect the important case of networks with prescribed clustering coefficient or number of small connected subgraphs (motifs). In this Letter we use the Wang-Landau method to obtain a multicanonical sampling that overcomes both these problems. We sample, in polynomial time, networks with arbitrary degree sequences from ensembles with imposed motifs counts. Applying this method to social networks, we investigate the relation between transitivity and homophily, and we quantify the correlation between different types of motifs, finding that single motifs can explain up to 60% of the variation of motif profiles.

  19. Extraterrestrial Amino Acids Identified in Metal-Rich CH and CB Carbonaceous Chondrites from Antarctica

    NASA Technical Reports Server (NTRS)

    Burton, Aaron S.; Elsila, Jamie E.; Hein, Jason E.; Glavin, Daniel P.; Dworkin, Jason P.

    2013-01-01

    Carbonaceous chondrites contain numerous indigenous organic compounds and could have been an important source of prebiotic compounds required for the origin of life on Earth or elsewhere. Extraterrestrial amino acids have been reported in five of the eight groups of carbonaceous chondrites and are most abundant in CI, CM, and CR chondritesbut are also present in the more thermally altered CV and CO chondrites. We report the abundance, distribution, and enantiomeric and isotopic compositions of simple primary amino acids in six metal-rich CH and CB carbonaceous chondrites that have not previously been investigated for amino acids: Allan Hills (ALH) 85085 (CH3), Pecora Escarpment(PCA) 91467 (CH3), Patuxent Range (PAT) 91546 (CH3), MacAlpine Hills (MAC) 02675(CBb), Miller Range (MIL) 05082 (CB), and Miller Range (MIL) 07411 (CB). Amino acid abundances and carbon isotopic values were obtained by using both liquid chromatography time-of-flight mass spectrometry and fluorescence, and gas chromatography isotope ratiomass spectrometry. The (delta D, delta C-13, delta N-15) ratios of multiple amino acids fall outside of the terrestrial range and support their extraterrestrial origin. Extracts of CH chondrites were found to be particularly rich in amino acids (1316 parts per million, ppm) while CB chondrite extracts had much lower abundances (0.22 ppm). The amino acid distributions of the CH and CB chondrites were distinct from the distributions observed in type 2 and 3 CM and CR chondrites and contained elevated levels of beta-, gamma-, and delta-amino acids compared to the corresponding alpha-amino acids, providing evidence that multiple amino acid formation mechanisms were important in CH and CB chondrites.

  20. Newton's method for large bound-constrained optimization problems.

    SciTech Connect

    Lin, C.-J.; More, J. J.; Mathematics and Computer Science

    1999-01-01

    We analyze a trust region version of Newton's method for bound-constrained problems. Our approach relies on the geometry of the feasible set, not on the particular representation in terms of constraints. The convergence theory holds for linearly constrained problems and yields global and superlinear convergence without assuming either strict complementarity or linear independence of the active constraints. We also show that the convergence theory leads to an efficient implementation for large bound-constrained problems.

  1. Iron supply constrains producer communities in stream ecosystems.

    PubMed

    Larson, Chad A; Liu, Hongsheng; Passy, Sophia I

    2015-05-01

    The current paradigm that stream producers are under exclusive macronutrient control was recently challenged by continental studies, demonstrating that iron supply constrained diatom biodiversity and energy flows. Using algal abundance and water chemistry data from the National Water-Quality Assessment Program, we determined for the first time community thresholds along iron gradients in non-acidic running waters, i.e. 30-79.5??g?L(-1) and 70-120 ?g L(-1) in oligotrophic and eutrophic streams, respectively. Given that Fe concentrations fell below both thresholds in 50% of US streams, and below the eutrophic threshold in 75% of US streams, we suggest that Fe limitation is potentially widespread and attribute it to the restricted distribution of wetlands. We also report results from the first laboratory experiments on algal-iron interactions in streams, revealing that iron supplementation leads to significant biovolume and biodiversity increase in both nitrogen fixing and non-nitrogen fixing algae. Therefore, the progressive brownification of freshwaters due to rising dissolved organic carbon and iron levels can have a stimulating influence on microbial producers with cascading effects along the trophic hierarchy. Future research in running waters should focus on the role of iron in algal physiology and biofilm functions, including accumulation of biomass, fixing atmospheric nitrogen and improving water quality. PMID:25873463

  2. Asynchronous parallel generating set search for linearly-constrained optimization.

    SciTech Connect

    Lewis, Robert Michael; Griffin, Joshua D.; Kolda, Tamara Gibson

    2006-08-01

    Generating set search (GSS) is a family of direct search methods that encompasses generalized pattern search and related methods. We describe an algorithm for asynchronous linearly-constrained GSS, which has some complexities that make it different from both the asynchronous bound-constrained case as well as the synchronous linearly-constrained case. The algorithm has been implemented in the APPSPACK software framework and we present results from an extensive numerical study using CUTEr test problems. We discuss the results, both positive and negative, and conclude that GSS is a reliable method for solving small-to-medium sized linearly-constrained optimization problems without derivatives.

  3. Testing constrained sequential dominance models of neutrinos

    NASA Astrophysics Data System (ADS)

    Björkeroth, Fredrik; King, Stephen F.

    2015-12-01

    Constrained sequential dominance (CSD) is a natural framework for implementing the see-saw mechanism of neutrino masses which allows the mixing angles and phases to be accurately predicted in terms of relatively few input parameters. We analyze a class of CSD(n) models where, in the flavour basis, two right-handed neutrinos are dominantly responsible for the ‘atmospheric’ and ‘solar’ neutrino masses with Yukawa couplings to ({ν }e,{ν }μ ,{ν }τ ) proportional to (0,1,1) and (1,n,n-2), respectively, where n is a positive integer. These coupling patterns may arise in indirect family symmetry models based on A 4. With two right-handed neutrinos, using a χ 2 test, we find a good agreement with data for CSD(3) and CSD(4) where the entire Pontecorvo–Maki–Nakagawa–Sakata mixing matrix is controlled by a single phase η, which takes simple values, leading to accurate predictions for mixing angles and the magnitude of the oscillation phase | {δ }{CP}| . We carefully study the perturbing effect of a third ‘decoupled’ right-handed neutrino, leading to a bound on the lightest physical neutrino mass {m}1{{≲ }}1 meV for the viable cases, corresponding to a normal neutrino mass hierarchy. We also discuss a direct link between the oscillation phase {δ }{CP} and leptogenesis in CSD(n) due to the same see-saw phase η appearing in both the neutrino mass matrix and leptogenesis.

  4. Constrained geometries in soap froth dynamics

    NASA Astrophysics Data System (ADS)

    Ruskin, H. J.; Feng, Y.

    2002-11-01

    Soap froths as archetypal disordered cellular structures, exhibiting spatial and temporal evolution, have been predominantly studied in terms of their topological properties. Recently, constrained geometries in froth have attracted attention, since these arise both from existing or natural structure or, more usually, can be artificially configured. Using a direct simulation method, which retains detailed information on bubble (cell) mechanisms, we have investigated dynamics in 2D froths with various initial structures corresponding to controlled disorder. In particular, we examine the special case of a defect ring surrounding a central inclusion in a uniform froth, for different number of defects and ring radius. This geometry permits comparison with shell theory, as well as insight on dynamics of a virtual phase (as defined for persistence and non-equilibrium processes in general). It appears that defect location and pattern of inclusion in the virtual phase cause considerable variation in the evolutionary behaviour, leading to non-universal exponents for the phase dynamics. This is probably explained by the fact that the froth is still in the transient period over simulation time scales, rather than achieving the final stage of persistence. However, distinctive patterns of response can be identified for the different froth regions, despite system size limitations, with topological and other properties indicating that a quasi-equilibrium results.

  5. Constrained Sypersymmetric Flipped SU (5) GUT Phenomenology

    SciTech Connect

    Ellis, John; Mustafayev, Azar; Olive, Keith A.; /Minnesota U., Theor. Phys. Inst. /Minnesota U. /Stanford U., Phys. Dept. /SLAC

    2011-08-12

    We explore the phenomenology of the minimal supersymmetric flipped SU(5) GUT model (CFSU(5)), whose soft supersymmetry-breaking (SSB) mass parameters are constrained to be universal at some input scale, Min, above the GUT scale, M{sub GUT}. We analyze the parameter space of CFSU(5) assuming that the lightest supersymmetric particle (LSP) provides the cosmological cold dark matter, paying careful attention to the matching of parameters at the GUT scale. We first display some specific examples of the evolutions of the SSB parameters that exhibit some generic features. Specifically, we note that the relationship between the masses of the lightest neutralino {chi} and the lighter stau {tilde {tau}}{sub 1} is sensitive to M{sub in}, as is the relationship between m{sub {chi}} and the masses of the heavier Higgs bosons A,H. For these reasons, prominent features in generic (m{sub 1/2}, m{sub 0}) planes such as coannihilation strips and rapid-annihilation funnels are also sensitive to Min, as we illustrate for several cases with tan {beta} = 10 and 55. However, these features do not necessarily disappear at large Min, unlike the case in the minimal conventional SU(5) GUT. Our results are relatively insensitive to neutrino masses.

  6. Constraining inflation with future galaxy redshift surveys

    SciTech Connect

    Huang, Zhiqi; Vernizzi, Filippo; Verde, Licia E-mail: liciaverde@icc.ub.edu

    2012-04-01

    With future galaxy surveys, a huge number of Fourier modes of the distribution of the large scale structures in the Universe will become available. These modes are complementary to those of the CMB and can be used to set constraints on models of the early universe, such as inflation. Using a MCMC analysis, we compare the power of the CMB with that of the combination of CMB and galaxy survey data, to constrain the power spectrum of primordial fluctuations generated during inflation. We base our analysis on the Planck satellite and a spectroscopic redshift survey with configuration parameters close to those of the Euclid mission as examples. We first consider models of slow-roll inflation, and show that the inclusion of large scale structure data improves the constraints by nearly halving the error bars on the scalar spectral index and its running. If we attempt to reconstruct the inflationary single-field potential, a similar conclusion can be reached on the parameters characterizing the potential. We then study models with features in the power spectrum. In particular, we consider ringing features produced by a break in the potential and oscillations such as in axion monodromy. Adding large scale structures improves the constraints on features by more than a factor of two. In axion monodromy we show that there are oscillations with small amplitude and frequency in momentum space that are undetected by CMB alone but can be measured by including galaxy surveys in the analysis.

  7. Multiply constrained cardiac electrical imaging methods

    NASA Astrophysics Data System (ADS)

    Brooks, Dana H.; Srinidhi, Kadagattur G.; MacLeod, Robert S.; Kaeli, David R.

    1999-10-01

    Accurate characterization of the electrical activity of the heart is of great physiological and medical import. The only truly non-invasive sites to measure this activity are on the body surface, as in an ECG, but the signals are attenuated and distorted by the thorax volume conductor. Thus even an array of body surface electrodes records a remote observation of cardiac electrical activity. The goal of cardiac electrical imaging is to accurately and reliably reconstruct the source image sequence from this observed image sequence using a model of the volume conductor. Since the problem is ill-posed, we need to constrain solutions using prior knowledge of source characteristics. Because the source is quite complex and distributed in time and space, and reconstructions are sensitive to the choice and weighting of constraints, several groups, including ours, have recently introduced methods to impose multiple constraints. We will review the problem and some of these methods and describe recent work which uses a convex optimization framework to impose multiple constraints, combining traditional smoothing with preservation of sharp gradients in the reconstructed image sequences. We pay particular attention to efficient distributed computational implementations of these solution methods.

  8. Joint Chance-Constrained Dynamic Programming

    NASA Technical Reports Server (NTRS)

    Ono, Masahiro; Kuwata, Yoshiaki; Balaram, J. Bob

    2012-01-01

    This paper presents a novel dynamic programming algorithm with a joint chance constraint, which explicitly bounds the risk of failure in order to maintain the state within a specified feasible region. A joint chance constraint cannot be handled by existing constrained dynamic programming approaches since their application is limited to constraints in the same form as the cost function, that is, an expectation over a sum of one-stage costs. We overcome this challenge by reformulating the joint chance constraint into a constraint on an expectation over a sum of indicator functions, which can be incorporated into the cost function by dualizing the optimization problem. As a result, the primal variables can be optimized by a standard dynamic programming, while the dual variable is optimized by a root-finding algorithm that converges exponentially. Error bounds on the primal and dual objective values are rigorously derived. We demonstrate the algorithm on a path planning problem, as well as an optimal control problem for Mars entry, descent and landing. The simulations are conducted using a real terrain data of Mars, with four million discrete states at each time step.

  9. Distributed Constrained Optimization with Semicoordinate Transformations

    NASA Technical Reports Server (NTRS)

    Macready, William; Wolpert, David

    2006-01-01

    Recent work has shown how information theory extends conventional full-rationality game theory to allow bounded rational agents. The associated mathematical framework can be used to solve constrained optimization problems. This is done by translating the problem into an iterated game, where each agent controls a different variable of the problem, so that the joint probability distribution across the agents moves gives an expected value of the objective function. The dynamics of the agents is designed to minimize a Lagrangian function of that joint distribution. Here we illustrate how the updating of the Lagrange parameters in the Lagrangian is a form of automated annealing, which focuses the joint distribution more and more tightly about the joint moves that optimize the objective function. We then investigate the use of "semicoordinate" variable transformations. These separate the joint state of the agents from the variables of the optimization problem, with the two connected by an onto mapping. We present experiments illustrating the ability of such transformations to facilitate optimization. We focus on the special kind of transformation in which the statistically independent states of the agents induces a mixture distribution over the optimization variables. Computer experiment illustrate this for &sat constraint satisfaction problems and for unconstrained minimization of NK functions.

  10. Constraining the Evolution of ZZ Ceti

    NASA Technical Reports Server (NTRS)

    Mukadam, Anjum S.; Kepler, S. O.; Winget, D. E.; Nather, R. E.; Kilic, M.; Mullally, F.; vonHippel, T.; Kleinman, S. J.; Nitta, A.; Guzik, J. A.

    2003-01-01

    We report our analysis of the stability of pulsation periods in the DAV star (pulsating hydrogen atmosphere white dwarf) ZZ Ceti, also called R548. On the basis of observations that span 31 years, we conclude that the period 213.13 s observed in ZZ Ceti drifts at a rate dP/dt 5 (5.5 plus or minus 1.9) x 10(exp -15) ss(sup -1), after correcting for proper motion. Our results are consistent with previous P values for this mode and an improvement over them because of the larger time base. The characteristic stability timescale implied for the pulsation period is |P||P(raised dot)|greater than or equal to 1.2 Gyr, comparable to the theoretical cooling timescale for the star. Our current stability limit for the period 213.13 s is only slightly less than the present measurement for another DAV, G117-B15A, for the period 215.2 s, establishing this mode in ZZ Ceti as the second most stable optical clock known, comparable to atomic clocks and more stable than most pulsars. Constraining the cooling rate of ZZ Ceti aids theoretical evolutionary models and white dwarf cosmochronology. The drift rate of this clock is small enough that we can set interesting limits on reflex motion due to planetary companions.

  11. Acoustic characteristics of listener-constrained speech

    NASA Astrophysics Data System (ADS)

    Ashby, Simone; Cummins, Fred

    2003-04-01

    Relatively little is known about the acoustical modifications speakers employ to meet the various constraints-auditory, linguistic and otherwise-of their listeners. Similarly, the manner by which perceived listener constraints interact with speakers' adoption of specialized speech registers is poorly Hypo (H&H) theory offers a framework for examining the relationship between speech production and output-oriented goals for communication, suggesting that under certain circumstances speakers may attempt to minimize phonetic ambiguity by employing a ``hyperarticulated'' speaking style (Lindblom, 1990). It remains unclear, however, what the acoustic correlates of hyperarticulated speech are, and how, if at all, we might expect phonetic properties to change respective to different listener-constrained conditions. This paper is part of a preliminary investigation concerned with comparing the prosodic characteristics of speech produced across a range of listener constraints. Analyses are drawn from a corpus of read hyperarticulated speech data comprising eight adult, female speakers of English. Specialized registers include speech to foreigners, infant-directed speech, speech produced under noisy conditions, and human-machine interaction. The authors gratefully acknowledge financial support of the Irish Higher Education Authority, allocated to Fred Cummins for collaborative work with Media Lab Europe.

  12. Equilibrium and transport properties of constrained systems

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Debasish

    2006-10-01

    Systems under external confinement and constraints often show interesting properties. In this thesis, we study some systems under external confinement. We begin by finding out the probability distribution of end-to-end separation of a Worm Like Chain (WLC) polymer whose ends are positionally (and orientationally) constrained. We use Monte-Carlo simulations (MC) and a theoretical mapping of the WLC to a quantum particle moving on the surface of an unit sphere to find multimodality in Helmholtz ensemble as a generic signature of semi-flexibility. Secondly, we study Laser Induced Freezing using a Kosterlitz-Thouless type renormalization group calculation and a restricted MC simulation to obtain phase diagrams for Hard Disk, Soft Disk and DLVO potentials. They show very good agreement with phase diagrams simulated by other groups. Lastly, we study the strain response and failure mechanism of a two-dimensional solid confined within a hard wall channel using MC and molecular dynamics simulations. We find a reversible plastic failure through solid-smectic coexistence and observe layering transitions. Mean field calculations can capture some of these features. We study the heat transport in this system thorugh nonequilibrium molecular dynamics simulations and find strong signatures of the transitions. We propose a simple free volume calculation that reproduces some qualitative features of the strain response of heat current for small strains.

  13. Time-constrained recovery of contaminated groundwater

    SciTech Connect

    Hudak, P.F.

    1995-03-01

    This report presents a method that models the removal of groundwater contaminant plumes with in a prescribed time period. The method integrates modified versions of two widely used facility location models: the Location Set covering Model (LSCM) and the Maximal Covering Location Model (MCLM). Service facilities (e.g.c fire stations) considered by the original models are replaced by groundwater pumping wells in the modified approach. Utilizing time-dependent capture zones as service domains, the LSCM allocates an initial set of pumping wells among a lattice of contaminant nodes. Next, a numerical particle-tracking procedure identifies nodes within low-velocity zones that are not captured by the LSCM solution. In the final stage of the selection process, the MCLM and particle tracking are applied alternately and repeatedly to shift well sties in a manner that optimizes the net gain in nodes captured. The method has derived effective time-constrained solutions for several plumes of various shapes. It can be implemented on a modern personal computer, and the formulated integer programming models can be solved with the branch-and-bound method.

  14. Constraining uncertainties in terrestrial carbon cycle modeling

    NASA Astrophysics Data System (ADS)

    Kvalevg, M.; Myhre, G.

    2011-12-01

    Global climate models differ in their representation of uptake of CO2 in the biosphere. Our study focuses on constraining the uncertainty in terrestrial carbon cycle modeling by comparing climate model results to observed atmospheric CO2 concentrations. The goal is to improve the representations of the seasonal cycle of terrestrial carbon uptake in the land model. We use the NCAR Community Earth System Model (CESM) climate components CLM4CN and CAM4 to run a prognostic version of the coupled land-atmosphere model where the atmospheric CO2 concentration in CAM4 is interactively calculated. Atmospheric CO2 concentrations from the model are compared to observations provided by flux towers in the AMERIFLUX network through the FLUXNET database and from the WDCGG for year 2000. We compare model results from sensitivity studies using different Q10 and Vcmax parameterizations, which are important functions in calculating plant growth. The carbon uptake in the biosphere is also under anthropogenic influence through emission of nitrogen and ozone from air pollution. Whereas nitrogen limitations in the soil reduce land ecosystem response to increasing CO2 concentrations, nitrogen from anthropogenic emissions increases the nitrogen availability and hence stimulates plant growth. These two nitrogen effects as well as the damaging impact on plants due to tropospheric ozone fertilization have been included in this study.

  15. Constraining Simulated Photosynthesis with Fluorescence Observations

    NASA Astrophysics Data System (ADS)

    Baker, I. T.; Berry, J. A.; Lee, J.; Frankenberg, C.; Denning, S.

    2012-12-01

    The measurement of chlorophyll fluorescence from satellites is an emerging technology. To date, most applications have compared fluorescence to light use efficiency models of Gross Primary Productivity (GPP). A close correspondence between fluorescence and GPP has been found in these comparisons. Here, we 'go the other way' and calculate fluorescence using an enzyme kinetic photosynthesis model (the Simple Biosphere Model; SiB), and compare to spectral retrievals. We utilize multiple representations for model phenology as a sensitivity test, obtaining leaf area index (LAI) and fraction of photosynthetically active radiation absorbed (fPAR) from both MODIS-derived products as well as a prognostic model of LAI/fPAR based on growing season index (PGSI). We find that bidirectional reflectance distribution function (BRDF), canopy radiative transfer, and leaf-to-canopy scaling all contribute to variability in simulated fluorescence. We use our results to evaluate discrepancies between light use efficiency and enzyme kinetic models across latitudinal, vegetation and climatological gradients. Satellite retrievals of fluorescence will provide insight into photosynthetic process and constrain simulations of the carbon cycle across multiple spatiotemporal scales.

  16. Constrained spheroids for prolonged hepatocyte culture.

    PubMed

    Tong, Wen Hao; Fang, Yu; Yan, Jie; Hong, Xin; Hari Singh, Nisha; Wang, Shu Rui; Nugraha, Bramasta; Xia, Lei; Fong, Eliza Li Shan; Iliescu, Ciprian; Yu, Hanry

    2016-02-01

    Liver-specific functions in primary hepatocytes can be maintained over extended duration in vitro using spheroid culture. However, the undesired loss of cells over time is still a major unaddressed problem, which consequently generates large variations in downstream assays such as drug screening. In static culture, the turbulence generated by medium change can cause spheroids to detach from the culture substrate. Under perfusion, the momentum generated by Stokes force similarly results in spheroid detachment. To overcome this problem, we developed a Constrained Spheroids (CS) culture system that immobilizes spheroids between a glass coverslip and an ultra-thin porous Parylene C membrane, both surface-modified with poly(ethylene glycol) and galactose ligands for optimum spheroid formation and maintenance. In this configuration, cell loss was minimized even when perfusion was introduced. When compared to the standard collagen sandwich model, hepatocytes cultured as CS under perfusion exhibited significantly enhanced hepatocyte functions such as urea secretion, and CYP1A1 and CYP3A2 metabolic activity. We propose the use of the CS culture as an improved culture platform to current hepatocyte spheroid-based culture systems. PMID:26708088

  17. Constraining the oblateness of Kepler planets

    SciTech Connect

    Zhu, Wei; Huang, Chelsea X.; Zhou, George; Lin, D. N. C.

    2014-11-20

    We use Kepler short-cadence light curves to constrain the oblateness of planet candidates in the Kepler sample. The transits of rapidly rotating planets that are deformed in shape will lead to distortions in the ingress and egress of their light curves. We report the first tentative detection of an oblate planet outside the solar system, measuring an oblateness of 0.22{sub −0.11}{sup +0.11} for the 18 M{sub J} mass brown dwarf Kepler 39b (KOI 423.01). We also provide constraints on the oblateness of the planets (candidates) HAT-P-7b, KOI 686.01, and KOI 197.01 to be <0.067, <0.251, and <0.186, respectively. Using the Q' values from Jupiter and Saturn, we expect tidal synchronization for the spins of HAT-P-7b, KOI 686.01, and KOI 197.01, and for their rotational oblateness signatures to be undetectable in the current data. The potentially large oblateness of KOI 423.01 (Kepler 39b) suggests that the Q' value of the brown dwarf needs to be two orders of magnitude larger than that of the solar system gas giants to avoid being tidally spun down.

  18. Constraining the Properties of Cold Interstellar Clouds

    NASA Astrophysics Data System (ADS)

    Spraggs, Mary Elizabeth; Gibson, Steven J.

    2016-01-01

    Since the interstellar medium (ISM) plays an integral role in star formation and galactic structure, it is important to understand the evolution of clouds over time, including the processes of cooling and condensation that lead to the formation of new stars. This work aims to constrain and better understand the physical properties of the cold ISM by utilizing large surveys of neutral atomic hydrogen (HI) 21cm spectral line emission and absorption, carbon monoxide (CO) 2.6mm line emission, and multi-band infrared dust thermal continuum emission. We identify areas where the gas may be cooling and forming molecules using HI self-absorption (HISA), in which cold foreground HI absorbs radiation from warmer background HI emission.We are developing an algorithm that uses total gas column densities inferred from Planck and other FIR/sub-mm data in parallel with CO and HISA spectral line data to determine the gas temperature, density, molecular abundance, and other properties as functions of position. We can then map these properties to study their variation throughout an individual cloud as well as any dependencies on location or environment within the Galaxy.Funding for this work was provided by the National Science Foundation, the NASA Kentucky Space Grant Consortium, the WKU Ogden College of Science and Engineering, and the Carol Martin Gatton Academy for Mathematics and Science in Kentucky.

  19. Contact symmetries of constrained quadratic Lagrangians

    NASA Astrophysics Data System (ADS)

    Dimakis, N.; Terzis, Petros A.; Christodoulakis, T.

    2016-01-01

    The conditions for the existence of (polynomial in the velocities) contact symmetries of constrained systems that are described by quadratic Lagrangians is presented. These Lagrangians mainly appear in mini-superspace reductions of gravitational plus matter actions. In the literature, one usually adopts a gauge condition (mostly for the lapse N) prior to searching for symmetries. This, however, is an unnecessary restriction which may lead to a loss of symmetries and consequently to the respective integrals of motion. A generalization of the usual procedure rests in the identification of the lapse function N as an equivalent degree of freedom and the according extension of the infinitesimal generator. As a result, conformal Killing tensors (with appropriate conformal factors) can define integrals of motion (instead of just Killing tensors used in the regular gauge fixed case). Additionally, rheonomic integrals of motion - whose existence is unique in this type of singular systems - of various orders in the momenta can be constructed. An example of a relativistic particle in a pp-wave space-time and under the influence of a quadratic potential is illustrated.

  20. Scheduling Aircraft Landings under Constrained Position Shifting

    NASA Technical Reports Server (NTRS)

    Balakrishnan, Hamsa; Chandran, Bala

    2006-01-01

    Optimal scheduling of airport runway operations can play an important role in improving the safety and efficiency of the National Airspace System (NAS). Methods that compute the optimal landing sequence and landing times of aircraft must accommodate practical issues that affect the implementation of the schedule. One such practical consideration, known as Constrained Position Shifting (CPS), is the restriction that each aircraft must land within a pre-specified number of positions of its place in the First-Come-First-Served (FCFS) sequence. We consider the problem of scheduling landings of aircraft in a CPS environment in order to maximize runway throughput (minimize the completion time of the landing sequence), subject to operational constraints such as FAA-specified minimum inter-arrival spacing restrictions, precedence relationships among aircraft that arise either from airline preferences or air traffic control procedures that prevent overtaking, and time windows (representing possible control actions) during which each aircraft landing can occur. We present a Dynamic Programming-based approach that scales linearly in the number of aircraft, and describe our computational experience with a prototype implementation on realistic data for Denver International Airport.

  1. Constrained Graph Optimization: Interdiction and Preservation Problems

    SciTech Connect

    Schild, Aaron V

    2012-07-30

    The maximum flow, shortest path, and maximum matching problems are a set of basic graph problems that are critical in theoretical computer science and applications. Constrained graph optimization, a variation of these basic graph problems involving modification of the underlying graph, is equally important but sometimes significantly harder. In particular, one can explore these optimization problems with additional cost constraints. In the preservation case, the optimizer has a budget to preserve vertices or edges of a graph, preventing them from being deleted. The optimizer wants to find the best set of preserved edges/vertices in which the cost constraints are satisfied and the basic graph problems are optimized. For example, in shortest path preservation, the optimizer wants to find a set of edges/vertices within which the shortest path between two predetermined points is smallest. In interdiction problems, one deletes vertices or edges from the graph with a particular cost in order to impede the basic graph problems as much as possible (for example, delete edges/vertices to maximize the shortest path between two predetermined vertices). Applications of preservation problems include optimal road maintenance, power grid maintenance, and job scheduling, while interdiction problems are related to drug trafficking prevention, network stability assessment, and counterterrorism. Computational hardness results are presented, along with heuristic methods for approximating solutions to the matching interdiction problem. Also, efficient algorithms are presented for special cases of graphs, including on planar graphs. The graphs in many of the listed applications are planar, so these algorithms have important practical implications.

  2. Dynamic Nuclear Polarization as Kinetically Constrained Diffusion

    NASA Astrophysics Data System (ADS)

    Karabanov, A.; Wiśniewski, D.; Lesanovsky, I.; Köckenberger, W.

    2015-07-01

    Dynamic nuclear polarization (DNP) is a promising strategy for generating a significantly increased nonthermal spin polarization in nuclear magnetic resonance (NMR) and its applications that range from medicine diagnostics to material science. Being a genuine nonequilibrium effect, DNP circumvents the need for strong magnetic fields. However, despite intense research, a detailed theoretical understanding of the precise mechanism behind DNP is currently lacking. We address this issue by focusing on a simple instance of DNP—so-called solid effect DNP—which is formulated in terms of a quantum central spin model where a single electron is coupled to an ensemble of interacting nuclei. We show analytically that the nonequilibrium buildup of polarization heavily relies on a mechanism which can be interpreted as kinetically constrained diffusion. Beyond revealing this insight, our approach furthermore permits numerical studies of ensembles containing thousands of spins that are typically intractable when formulated in terms of a quantum master equation. We believe that this represents an important step forward in the quest of harnessing nonequilibrium many-body quantum physics for technological applications.

  3. Constrained bounds on measures of entanglement

    SciTech Connect

    Datta, Animesh; Flammia, Steven T.; Shaji, Anil; Caves, Carlton M.

    2007-06-15

    Entanglement measures constructed from two positive, but not completely positive, maps on density operators are used as constraints in placing bounds on the entanglement of formation, the tangle, and the concurrence of 4N mixed states. The maps are the partial transpose map and the phi map introduced by Breuer [H.-P. Breuer, Phys. Rev. Lett. 97, 080501 (2006)]. The norm-based entanglement measures constructed from these two maps, called negativity and phi negativity, respectively, lead to two sets of bounds on the entanglement of formation, the tangle, and the concurrence. We compare these bounds and identify the sets of 4N density operators for which the bounds from one constraint are better than the bounds from the other. In the process, we present a derivation of the already known bound on the concurrence based on the negativity. We compute bounds on the three measures of entanglement using both the constraints simultaneously. We demonstrate how such doubly constrained bounds can be constructed. We discuss extensions of our results to bipartite states of higher dimensions and with more than two constraints.

  4. Dynamic Nuclear Polarization as Kinetically Constrained Diffusion.

    PubMed

    Karabanov, A; Wiśniewski, D; Lesanovsky, I; Köckenberger, W

    2015-07-10

    Dynamic nuclear polarization (DNP) is a promising strategy for generating a significantly increased nonthermal spin polarization in nuclear magnetic resonance (NMR) and its applications that range from medicine diagnostics to material science. Being a genuine nonequilibrium effect, DNP circumvents the need for strong magnetic fields. However, despite intense research, a detailed theoretical understanding of the precise mechanism behind DNP is currently lacking. We address this issue by focusing on a simple instance of DNP-so-called solid effect DNP-which is formulated in terms of a quantum central spin model where a single electron is coupled to an ensemble of interacting nuclei. We show analytically that the nonequilibrium buildup of polarization heavily relies on a mechanism which can be interpreted as kinetically constrained diffusion. Beyond revealing this insight, our approach furthermore permits numerical studies of ensembles containing thousands of spins that are typically intractable when formulated in terms of a quantum master equation. We believe that this represents an important step forward in the quest of harnessing nonequilibrium many-body quantum physics for technological applications. PMID:26207453

  5. Constrained spectral clustering under a local proximity structure assumption

    NASA Technical Reports Server (NTRS)

    Wagstaff, Kiri; Xu, Qianjun; des Jardins, Marie

    2005-01-01

    This work focuses on incorporating pairwise constraints into a spectral clustering algorithm. A new constrained spectral clustering method is proposed, as well as an active constraint acquisition technique and a heuristic for parameter selection. We demonstrate that our constrained spectral clustering method, CSC, works well when the data exhibits what we term local proximity structure.

  6. The Pendulum: From Constrained Fall to the Concept of Potential

    ERIC Educational Resources Information Center

    Bevilacqua, Fabio; Falomo, Lidia; Fregonese, Lucio; Giannetto, Enrico; Giudice, Franco; Mascheretti, Paolo

    2006-01-01

    Kuhn underlined the relevance of Galileo's gestalt switch in the interpretation of a swinging body from constrained fall to time metre. But the new interpretation did not eliminate the older one. The constrained fall, both in the motion of pendulums and along inclined planes, led Galileo to the law of free fall. Experimenting with physical

  7. The Pendulum: From Constrained Fall to the Concept of Potential

    ERIC Educational Resources Information Center

    Bevilacqua, Fabio; Falomo, Lidia; Fregonese, Lucio; Giannetto, Enrico; Giudice, Franco; Mascheretti, Paolo

    2006-01-01

    Kuhn underlined the relevance of Galileo's gestalt switch in the interpretation of a swinging body from constrained fall to time metre. But the new interpretation did not eliminate the older one. The constrained fall, both in the motion of pendulums and along inclined planes, led Galileo to the law of free fall. Experimenting with physical…

  8. Regularized Partial and/or Constrained Redundancy Analysis

    ERIC Educational Resources Information Center

    Takane, Yoshio; Jung, Sunho

    2008-01-01

    Methods of incorporating a ridge type of regularization into partial redundancy analysis (PRA), constrained redundancy analysis (CRA), and partial and constrained redundancy analysis (PCRA) were discussed. The usefulness of ridge estimation in reducing mean square error (MSE) has been recognized in multiple regression analysis for some time,…

  9. Regularized Partial and/or Constrained Redundancy Analysis

    ERIC Educational Resources Information Center

    Takane, Yoshio; Jung, Sunho

    2008-01-01

    Methods of incorporating a ridge type of regularization into partial redundancy analysis (PRA), constrained redundancy analysis (CRA), and partial and constrained redundancy analysis (PCRA) were discussed. The usefulness of ridge estimation in reducing mean square error (MSE) has been recognized in multiple regression analysis for some time,

  10. Kinetic Consequences of Constraining Running Behavior

    PubMed Central

    Mercer, John A.; Bezodis, Neil E.; Russell, Mike; Purdy, Andy; DeLion, David

    2005-01-01

    It is known that impact forces increase with running velocity as well as when stride length increases. Since stride length naturally changes with changes in submaximal running velocity, it was not clear which factor, running velocity or stride length, played a critical role in determining impact characteristics. The aim of the study was to investigate whether or not stride length influences the relationship between running velocity and impact characteristics. Eight volunteers (mass=72.4 8.9 kg; height = 1.7 0.1 m; age = 25 3.4 years) completed two running conditions: preferred stride length (PSL) and stride length constrained at 2.5 m (SL2.5). During each condition, participants ran at a variety of speeds with the intent that the range of speeds would be similar between conditions. During PSL, participants were given no instructions regarding stride length. During SL2.5, participants were required to strike targets placed on the floor that resulted in a stride length of 2.5 m. Ground reaction forces were recorded (1080 Hz) as well as leg and head accelerations (uni-axial accelerometers). Impact force and impact attenuation (calculated as the ratio of head and leg impact accelerations) were recorded for each running trial. Scatter plots were generated plotting each parameter against running velocity. Lines of best fit were calculated with the slopes recorded for analysis. The slopes were compared between conditions using paired t-tests. Data from two subjects were dropped from analysis since the velocity ranges were not similar between conditions resulting in the analysis of six subjects. The slope of impact force vs. velocity relationship was different between conditions (PSL: 0.178 0.16 BW/ms-1; SL2.5: -0.003 0.14 BW/ms-1; p < 0.05). The slope of the impact attenuation vs. velocity relationship was different between conditions (PSL: 5.12 2.88 %/ms-1; SL2.5: 1.39 1.51 %/ms-1; p < 0.05). Stride length was an important factor that determined impact force magnitude. It is likely that lower extremity posture is a determining factor influencing impact characteristics. Key PointsAs running velocity increased, the magnitude of the vertical ground reaction impact force increased as expected.As running velocity increased, stride length increased as expected.When stride length was constrained to be 2.5 m for all running velocities, the magnitude of the vertical ground reaction impact force did not increase as expected.When running different velocities, the changes in the magnitude of the vertical ground reaction impact force was related to stride length changes. PMID:24431970

  11. Constraining the Evolution of Poor Clusters

    NASA Astrophysics Data System (ADS)

    Broming, Emma J.; Fuse, C. R.

    2012-01-01

    There currently exists no method by which to quantify the evolutionary state of poor clusters (PCs). Research by Broming & Fuse (2010) demonstrated that the evolution of Hickson compact groups (HCGs) are constrained by the correlation between the X-ray luminosities of point sources and diffuse gas. The current investigation adopts an analogous approach to understanding PCs. Plionis et al. (2009) proposed a theory to define the evolution of poor clusters. The theory asserts that cannibalism of galaxies causes a cluster to become more spherical, develop increased velocity dispersion and increased X-ray temperature and gas luminosity. Data used to quantify the evolution of the poor clusters were compiled across multiple wavelengths. The sample includes 162 objects from the WBL catalogue (White et al. 1999), 30 poor clusters in the Chandra X-ray Observatory archive, and 15 Abell poor clusters observed with BAX (Sadat et al. 2004). Preliminary results indicate that the cluster velocity dispersion and X-ray gas and point source luminosities can be used to highlight a weak correlation. An evolutionary trend was observed for multiple correlations detailed herein. The current study is a continuation of the work by Broming & Fuse examining point sources and their properties to determine the evolutionary stage of compact groups, poor clusters, and their proposed remnants, isolated ellipticals and fossil groups. Preliminary data suggests that compact groups and their high-mass counterpart, poor clusters, evolve along tracks identified in the X-ray gas - X-ray point source relation. While compact groups likely evolve into isolated elliptical galaxies, fossil groups display properties that suggest they are the remains of fully coalesced poor clusters.

  12. The cost-constrained traveling salesman problem

    SciTech Connect

    Sokkappa, P.R.

    1990-10-01

    The Cost-Constrained Traveling Salesman Problem (CCTSP) is a variant of the well-known Traveling Salesman Problem (TSP). In the TSP, the goal is to find a tour of a given set of cities such that the total cost of the tour is minimized. In the CCTSP, each city is given a value, and a fixed cost-constraint is specified. The objective is to find a subtour of the cities that achieves maximum value without exceeding the cost-constraint. Thus, unlike the TSP, the CCTSP requires both selection and sequencing. As a consequence, most results for the TSP cannot be extended to the CCTSP. We show that the CCTSP is NP-hard and that no K-approximation algorithm or fully polynomial approximation scheme exists, unless P = NP. We also show that several special cases are polynomially solvable. Algorithms for the CCTSP, which outperform previous methods, are developed in three areas: upper bounding methods, exact algorithms, and heuristics. We found that a bounding strategy based on the knapsack problem performs better, both in speed and in the quality of the bounds, than methods based on the assignment problem. Likewise, we found that a branch-and-bound approach using the knapsack bound was superior to a method based on a common branch-and-bound method for the TSP. In our study of heuristic algorithms, we found that, when selecting modes for inclusion in the subtour, it is important to consider the neighborhood'' of the nodes. A node with low value that brings the subtour near many other nodes may be more desirable than an isolated node of high value. We found two types of repetition to be desirable: repetitions based on randomization in the subtour buildings process, and repetitions encouraging the inclusion of different subsets of the nodes. By varying the number and type of repetitions, we can adjust the computation time required by our method to obtain algorithms that outperform previous methods.

  13. Mars, Moon, Mercury: Magnetometry Constrains Planetary Evolution

    NASA Astrophysics Data System (ADS)

    Connerney, John E. P.

    2015-04-01

    We have long appreciated that magnetic measurements obtained about a magnetized planet are of great value in probing the deep interior. The existence of a substantial planetary magnetic field implies dynamo action requiring an electrically conducting, fluid core in convective motion and a source of energy to maintain it. Application of the well-known Lowe's spectrum may in some cases identify the dynamo outer radius; where secular variation can be measured, the outer radius can be estimated using the frozen flux approximation. Magnetic induction may be used to probe the electrical conductivity of the mantle and crust. These are useful constraints that together with gravity and/or other observables we may infer the state of the interior and gain insight into planetary evolution. But only recently has it become clear that space magnetometry can do much more, particularly about a planet that once sustained a dynamo that has since disappeared. Mars is the best example of this class: the Mars Global Surveyor spacecraft globally mapped a remanent crustal field left behind after the demise of the dynamo. This map is a magnetic record of the planet's evolution. I will argue that this map may be interpreted to constrain the era of dynamo activity within Mars; to establish the reversal history of the Mars dynamo; to infer the magnetization intensity of Mars crustal rock and the depth of the magnetized crustal layer; and to establish that plate tectonics is not unique to planet Earth, as has so often been claimed. The Lunar magnetic record is in contrast one of weakly magnetized and scattered sources, not easily interpreted as yet in terms of the interior. Magnetometry about Mercury is more difficult to interpret owing to the relatively weak field and proximity to the sun, but MESSENGER (and ultimately Beppi Columbo) may yet map crustal anomalies (induced and/or remanent).

  14. Motor Demands Constrain Cognitive Rule Structures

    PubMed Central

    Collins, Anne Gabrielle Eva; Frank, Michael Joshua

    2016-01-01

    Study of human executive function focuses on our ability to represent cognitive rules independently of stimulus or response modality. However, recent findings suggest that executive functions cannot be modularized separately from perceptual and motor systems, and that they instead scaffold on top of motor action selection. Here we investigate whether patterns of motor demands influence how participants choose to implement abstract rule structures. In a learning task that requires integrating two stimulus dimensions for determining appropriate responses, subjects typically structure the problem hierarchically, using one dimension to cue the task-set and the other to cue the response given the task-set. However, the choice of which dimension to use at each level can be arbitrary. We hypothesized that the specific structure subjects adopt would be constrained by the motor patterns afforded within each rule. Across four independent data-sets, we show that subjects create rule structures that afford motor clustering, preferring structures in which adjacent motor actions are valid within each task-set. In a fifth data-set using instructed rules, this bias was strong enough to counteract the well-known task switch-cost when instructions were incongruent with motor clustering. Computational simulations confirm that observed biases can be explained by leveraging overlap in cortical motor representations to improve outcome prediction and hence infer the structure to be learned. These results highlight the importance of sensorimotor constraints in abstract rule formation and shed light on why humans have strong biases to invent structure even when it does not exist. PMID:26966909

  15. Constraining the source of mantle plumes

    NASA Astrophysics Data System (ADS)

    Cagney, N.; Crameri, F.; Newsome, W. H.; Lithgow-Bertelloni, C.; Cotel, A.; Hart, S. R.; Whitehead, J. A.

    2016-02-01

    In order to link the geochemical signature of hot spot basalts to Earth's deep interior, it is first necessary to understand how plumes sample different regions of the mantle. Here, we investigate the relative amounts of deep and shallow mantle material that are entrained by an ascending plume and constrain its source region. The plumes are generated in a viscous syrup using an isolated heater for a range of Rayleigh numbers. The velocity fields are measured using stereoscopic Particle-Image Velocimetry, and the concept of the 'vortex ring bubble' is used to provide an objective definition of the plume geometry. Using this plume geometry, the plume composition can be analysed in terms of the proportion of material that has been entrained from different depths. We show that the plume composition can be well described using a simple empirical relationship, which depends only on a single parameter, the sampling coefficient, sc. High-sc plumes are composed of material which originated from very deep in the fluid domain, while low-sc plumes contain material entrained from a range of depths. The analysis is also used to show that the geometry of the plume can be described using a similarity solution, in agreement with previous studies. Finally, numerical simulations are used to vary both the Rayleigh number and viscosity contrast independently. The simulations allow us to predict the value of the sampling coefficient for mantle plumes; we find that as a plume reaches the lithosphere, 90% of its composition has been derived from the lowermost 260-750 km in the mantle, and negligible amounts are derived from the shallow half of the lower mantle. This result implies that isotope geochemistry cannot provide direct information about this unsampled region, and that the various known geochemical reservoirs must lie in the deepest few hundred kilometres of the mantle.

  16. Constraining blazar physics with polarization signatures

    NASA Astrophysics Data System (ADS)

    Zhang, Haocheng; Boettcher, Markus; Li, Hui

    2016-01-01

    Blazars are active galactic nuclei whose jets are directed very close to our line of sight. They emit nonthermal-dominated emission from radio to gamma-rays, with the radio to optical emissions known to be polarized. Both radiation and polarization signatures can be strongly variable. Observations have shown that sometimes strong multiwavelength flares are accompanied by drastic polarization variations, indicating active participation of the magnetic field during flares. We have developed a 3D multi-zone time-dependent polarization-dependent radiation transfer code, which enables us to study the spectral and polarization signatures of blazar flares simultaneously. By combining this code with a Fokker-Planck nonthermal particle evolution scheme, we are able to derive simultaneous fits to time-dependent spectra, multiwavelength light curves, and time-dependent optical polarization signatures of a well-known multiwavelength flare with 180 degree polarization angle swing of the blazar 3C279. Our work shows that with detailed consideration of light travel time effects, the apparently symmetric time-dependent radiation and polarization signatures can be naturally explained by a straight, helically symmetric jet pervaded by a helical magnetic field, without the need of any asymmetric structures. Also our model suggests that the excess in the nonthermal particles during flares can originate from magnetic reconnection events, initiated by a shock propagating through the emission region. Additionally, the magnetic field should generally revert to its initial topology after the flare. We conclude that such shock-initiated magnetic reconnection event in an emission environment with relatively strong magnetic energy can be the driver of multiwavelength flares with polarization angle swings. Future statistics on such observations will constrain general features of such events, while magneto-hydrodynamic simulations will provide physical scenarios for the magnetic field evolution; both can be tested against our model, obtaining further constraints on the particle acceleration mechanism, as well as magnetic field structure and evolution inside the blazar emission region.

  17. Constrained layer damping of a tennis racket

    NASA Astrophysics Data System (ADS)

    Harms, Michael R.; Gopal, H. S.; Lai, Ming-Lai; Cheng, Po-Jen

    1996-05-01

    When a tennis ball strikes a racket the impact causes vibrations which are distracting and undesirable to the player. In this work a passive damping system used to reduce vibration is described. The damping system uses a viscoelastic material along with a stiff composite constraining layer which is molded on the inner surface of the tennis racket frame. When a ball strikes a racket with this damping system the vibration causes shearing strain in the viscoelastic material. This strain energy is partially dissipated by the viscoelastic material, thereby increasing the racket damping. An analysis of the design was performed by creating a solid CAD model of the racket using Pro/Engineer. A finite element mesh was created and the mesh was then exported to ANSYS for the finite element modal analysis. The technique used to determine the damping ratio is the modal strain energy method. Experimental testing using accelerometers was conducted to determine the natural frequency and the damping ratio of rackets with and without the damping system. The natural frequency of the finite element model was benchmarked to the experimental data and damping ratios were compared. The modal strain energy method was found to be a very effective means of determining the damping ratio, and the frequencies and damping ratios correlated well with the experimental data. Using this analysis method, the effectiveness of the damping ratio to the change in key variables can be studied, minimizing the need for prototypes. This method can be used to determine an optimum design by maximizing the damping ratio with minimal weight addition.

  18. Constraining Cosmic Evolution of Type Ia Supernovae

    SciTech Connect

    Foley, Ryan J.; Filippenko, Alexei V.; Aguilera, C.; Becker, A.C.; Blondin, S.; Challis, P.; Clocchiatti, A.; Covarrubias, R.; Davis, T.M.; Garnavich, P.M.; Jha, S.; Kirshner, R.P.; Krisciunas, K.; Leibundgut, B.; Li, W.; Matheson, T.; Miceli, A.; Miknaitis, G.; Pignata, G.; Rest, A.; Riess, A.G.; /UC, Berkeley, Astron. Dept. /Cerro-Tololo InterAmerican Obs. /Washington U., Seattle, Astron. Dept. /Harvard-Smithsonian Ctr. Astrophys. /Chile U., Catolica /Bohr Inst. /Notre Dame U. /KIPAC, Menlo Park /Texas A-M /European Southern Observ. /NOAO, Tucson /Fermilab /Chile U., Santiago /Harvard U., Phys. Dept. /Baltimore, Space Telescope Sci. /Johns Hopkins U. /Res. Sch. Astron. Astrophys., Weston Creek /Stockholm U. /Hawaii U. /Illinois U., Urbana, Astron. Dept.

    2008-02-13

    We present the first large-scale effort of creating composite spectra of high-redshift type Ia supernovae (SNe Ia) and comparing them to low-redshift counterparts. Through the ESSENCE project, we have obtained 107 spectra of 88 high-redshift SNe Ia with excellent light-curve information. In addition, we have obtained 397 spectra of low-redshift SNe through a multiple-decade effort at Lick and Keck Observatories, and we have used 45 ultraviolet spectra obtained by HST/IUE. The low-redshift spectra act as a control sample when comparing to the ESSENCE spectra. In all instances, the ESSENCE and Lick composite spectra appear very similar. The addition of galaxy light to the Lick composite spectra allows a nearly perfect match of the overall spectral-energy distribution with the ESSENCE composite spectra, indicating that the high-redshift SNe are more contaminated with host-galaxy light than their low-redshift counterparts. This is caused by observing objects at all redshifts with similar slit widths, which corresponds to different projected distances. After correcting for the galaxy-light contamination, subtle differences in the spectra remain. We have estimated the systematic errors when using current spectral templates for K-corrections to be {approx}0.02 mag. The variance in the composite spectra give an estimate of the intrinsic variance in low-redshift maximum-light SN spectra of {approx}3% in the optical and growing toward the ultraviolet. The difference between the maximum-light low and high-redshift spectra constrain SN evolution between our samples to be < 10% in the rest-frame optical.

  19. Informed constrained spherical deconvolution (iCSD).

    PubMed

    Roine, Timo; Jeurissen, Ben; Perrone, Daniele; Aelterman, Jan; Philips, Wilfried; Leemans, Alexander; Sijbers, Jan

    2015-08-01

    Diffusion-weighted (DW) magnetic resonance imaging (MRI) is a noninvasive imaging method, which can be used to investigate neural tracts in the white matter (WM) of the brain. However, the voxel sizes used in DW-MRI are relatively large, making DW-MRI prone to significant partial volume effects (PVE). These PVEs can be caused both by complex (e.g. crossing) WM fiber configurations and non-WM tissue, such as gray matter (GM) and cerebrospinal fluid. High angular resolution diffusion imaging methods have been developed to correctly characterize complex WM fiber configurations, but significant non-WM PVEs are also present in a large proportion of WM voxels. In constrained spherical deconvolution (CSD), the full fiber orientation distribution function (fODF) is deconvolved from clinically feasible DW data using a response function (RF) representing the signal of a single coherently oriented population of fibers. Non-WM PVEs cause a loss of precision in the detected fiber orientations and an emergence of false peaks in CSD, more prominently in voxels with GM PVEs. We propose a method, informed CSD (iCSD), to improve the estimation of fODFs under non-WM PVEs by modifying the RF to account for non-WM PVEs locally. In practice, the RF is modified based on tissue fractions estimated from high-resolution anatomical data. Results from simulation and in-vivo bootstrapping experiments demonstrate a significant improvement in the precision of the identified fiber orientations and in the number of false peaks detected under GM PVEs. Probabilistic whole brain tractography shows fiber density is increased in the major WM tracts and decreased in subcortical GM regions. The iCSD method significantly improves the fiber orientation estimation at the WM-GM interface, which is especially important in connectomics, where the connectivity between GM regions is analyzed. PMID:25660002

  20. How We Can Constrain Aerosol Type Globally

    NASA Technical Reports Server (NTRS)

    Kahn, Ralph

    2016-01-01

    In addition to aerosol number concentration, aerosol size and composition are essential attributes needed to adequately represent aerosol-cloud interactions (ACI) in models. As the nature of ACI varies enormously with environmental conditions, global-scale constraints on particle properties are indicated. And although advanced satellite remote-sensing instruments can provide categorical aerosol-type classification globally, detailed particle microphysical properties are unobtainable from space with currently available or planned technologies. For the foreseeable future, only in situ measurements can constrain particle properties at the level-of-detail required for ACI, as well as to reduce uncertainties in regional-to-global-scale direct aerosol radiative forcing (DARF). The limitation of in situ measurements for this application is sampling. However, there is a simplifying factor: for a given aerosol source, in a given season, particle microphysical properties tend to be repeatable, even if the amount varies from day-to-day and year-to-year, because the physical nature of the particles is determined primarily by the regional environment. So, if the PDFs of particle properties from major aerosol sources can be adequately characterized, they can be used to add the missing microphysical detail the better sampled satellite aerosol-type maps. This calls for Systematic Aircraft Measurements to Characterize Aerosol Air Masses (SAM-CAAM). We are defining a relatively modest and readily deployable, operational aircraft payload capable of measuring key aerosol absorption, scattering, and chemical properties in situ, and a program for characterizing statistically these properties for the major aerosol air mass types, at a level-of-detail unobtainable from space. It is aimed at: (1) enhancing satellite aerosol-type retrieval products with better aerosol climatology assumptions, and (2) improving the translation between satellite-retrieved aerosol optical properties and species-specific aerosol mass and size that are tracked in aerosol transport and climate models used to assess aerosol forcing and its anthropogenic components. This presentation will summarize where we stand on the development of the SAM-CAAM concept.

  1. Vibrational pooling and constrained equilibration on surfaces

    NASA Astrophysics Data System (ADS)

    Boney, E. T. D.

    In this thesis, we provide a statistical theory for the vibrational pooling and fluorescence time dependence observed in infrared laser excitation of CO on an NaCl surface. The pooling is seen in experiment and in computer simulations. In the theory, we assume a rapid equilibration of the quanta in the substrate and minimize the free energy subject to the constraint at any time t of a fixed number of vibrational quanta N(t). At low incident intensity, the distribution is limited to one-quantum exchanges with the solid and so the Debye frequency of the solid plays a key role in limiting the range of this one-quantum domain. The resulting inverted vibrational equilibrium population depends only on fundamental parameters of the oscillator (oe and oe?e) and the surface (oD and T). Possible applications and relation to the Treanor gas phase treatment are discussed. Unlike the solid phase system, the gas phase system has no Debye-constraining maximum. We discuss the possible distributions for arbitrary N-conserving diatom-surface pairs, and include application to H:Si(111) as an example. Computations are presented to describe and analyze the high levels of infrared laser induced vibrational excitation of a monolayer of absorbed 13CO on a NaCl(100) surface. The calculations confirm that, for situations where the Debye frequency limited n domain restriction approximately holds, the vibrational state population deviates from a Boltzmann population linearly in n, a result that we have derived earlier theoretically for a domain of n restricted to one-phonon transfers. This theoretically understood term, linear in n, dominates the Boltzmann term and is responsible for the inversion of the population of vibrational states, Pn We discuss the one-to-one relationship between N and gamma and the examine the state space of the new distribution function for varied gamma. We derive the Free Energy and effective chemical potential for the vibrational pool. We also find the anti correlation of neighbor vibrations leads to an emergent correlation that appears to extend further than nearest neighbor.

  2. Constraining duty cycles through a Bayesian technique

    NASA Astrophysics Data System (ADS)

    Romano, P.; Guidorzi, C.; Segreto, A.; Ducci, L.; Vercellone, S.

    2014-12-01

    The duty cycle (DC) of astrophysical sources is generally defined as the fraction of time during which the sources are active. It is used to both characterize their central engine and to plan further observing campaigns to study them. However, DCs are generally not provided with statistical uncertainties, since the standard approach is to perform Monte Carlo bootstrap simulations to evaluate them, which can be quite time consuming for a large sample of sources. As an alternative, considerably less time-consuming approach, we derived the theoretical expectation value for the DC and its error for sources whose state is one of two possible, mutually exclusive states, inactive (off) or flaring (on), as based on a finite set of independent observational data points. Following a Bayesian approach, we derived the analytical expression for the posterior, the conjugated distribution adopted as prior, and the expectation value and variance. We applied our method to the specific case of the inactivity duty cycle (IDC) for supergiant fast X-ray transients, a subclass of flaring high mass X-ray binaries characterized by large dynamical ranges. We also studied IDC as a function of the number of observations in the sample. Finally, we compare the results with the theoretical expectations. We found excellent agreement with our findings based on the standard bootstrap method. Our Bayesian treatment can be applied to all sets of independent observations of two-state sources, such as active galactic nuclei, X-ray binaries, etc. In addition to being far less time consuming than bootstrap methods, the additional strength of this approach becomes obvious when considering a well-populated class of sources (Nsrc ≥ 50) for which the prior can be fully characterized by fitting the distribution of the observed DCs for all sources in the class, so that, through the prior, one can further constrain the DC of a new source by exploiting the information acquired on the DC distribution derived from the other sources. R-Language, IDL, and C-language programs are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/572/A97

  3. Characterization of a dual specificity aryl acid adenylation enzyme with dual function in nikkomycin biosynthesis.

    PubMed

    Moon, Mary; Van Lanen, Steven G

    2010-09-01

    Nikkomycin Z is a dipeptide antifungal antibiotic characterized by two nonproteinogenic amino acids, nikkomycin C(Z) and 4-(4'-hydroxy-2'-pyridinyl)-homothreonine (HPHT). The HPHT scaffold is assembled by an aldol reaction between 2-oxobutyrate and picolinaldehyde, the latter of which is derived from picolinic acid that is activated and loaded to coenzyme A by the aryl-activating adenylation enzyme, NikE. We now provide evidence that NikE is also involved in the activation and loading of the alpha-keto acid precursor, 4-(2'-pyridinyl)-2-oxo-4-hydroxyisovalerate (POHIV), to a phosphopantetheinyl group of an acyl carrier protein domain of NikT. POHIV was synthesized using Escherichia coli 2-dehydro-3-deoxy-phosphogluconate aldolase, and phenylalanine dehydrogenase from Bacillus sp. NRRL B-14911 was used to prepare the alpha-amino acid, 4-(2'-pyridinyl)-homothreonine (PHT). Using the carboxylic acid-dependent, ATP-[(32)P]PP(i) exchange assay, NikE is shown to activate both picolinic acid and POHIV but not PHT. Furthermore, NikE loads POHIV to holo-NikT to generate a new thioester-linked intermediate, which was not observed using a NikT(S33A) mutant. Thus, NikE activates two distinct carboxylic acids to form two new thioester intermediates, one of which is subsequently reduced to the aldehyde and the other that likely serves as a substrate for the aminotransferase domain of NikT prior to condensation with nikkomycin C(Z) to yield the dipeptide. PMID:20577996

  4. Constraining Anthropogenic and Biogenic Emissions Using Chemical Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Spencer, Kathleen M.

    Numerous gas-phase anthropogenic and biogenic compounds are emitted into the atmosphere. These gases undergo oxidation to form other gas-phase species and particulate matter. Whether directly or indirectly, primary pollutants, secondary gas-phase products, and particulate matter all pose health and environmental risks. In this work, ambient measurements conducted using chemical ionization mass spectrometry are used as a tool for investigating regional air quality. Ambient measurements of peroxynitric acid (HO2NO2) were conducted in Mexico City. A method of inferring the rate of ozone production, PO3, is developed based on observations of HO2NO 2, NO, and NO2. Comparison of this observationally based PO3 to a highly constrained photochemical box model indicates that regulations aimed at reducing ozone levels in Mexico City by reducing NOx concentrations may be effective at higher NO x levels than predicted using accepted photochemistry. Measurements of SO2 and particulate sulfate were conducted over the Los Angeles basin in 2008 and are compared to measurements made in 2002. A large decrease in SO2 concentration and a change in spatial distribution are observed. Nevertheless, only a modest reduction in sulfate concentration is observed at ground sites within the basin. Possible explanations for these trends are investigated. Two techniques, single and triple quadrupole chemical ionization mass spectrometry, were used to quantify ambient concentrations of biogenic oxidation products, hydroxyacetone and glycolaldehyde. The use of these techniques demonstrates the advantage of triple quadrupole mass spectrometry for separation of mass analogues, provided the collision-induced daughter ions are sufficiently distinct. Enhancement ratios of hydroxyacetone and glycolaldehyde in Californian biomass burning plumes are presented as are concentrations of these compounds at a rural ground site downwind of Sacramento.

  5. Stereochemically constrained complex organic molecules extracted from olivine crystal matrix

    NASA Astrophysics Data System (ADS)

    Gerasimenko, I.; Freund, F. T.; Imanaka, H.; Rodgers, R.

    2011-12-01

    Paradoxically, the dense solid state of magmatic minerals is a medium, in which organic synthesis can take place. The reason is that gas-fluid components such as H2O, CO/CO2/N2 and H2S are omnipresent in terrestrial magmatic environments. Any silicate mineral that crystallizes from such magmas will incorporate small quantities of the fluid-phase components in the form of structurally incompatible low-z impurities. During cooling the solute species undergo a redox conversion, resulting in chemically reduced low-z elements. To the extent that these low-z impurities are diffusively mobile, they will exsolve to the surface and/or to major structural defects inside the crystal matrix such as dislocations. Dislocations provide a 3-D structured environment, where the low-z impurities will tend to form stereochemically constrained polyatomic Cn-H-O-N-S entities, which we call organic protomolecules. In Nature, during weathering, such protomolecules will be released into the environment in the form of complex organic molecules. In our study we crush samples under clean conditions as a way to expose Cn-H-O-N-S entities at the fracture surfaces. We conduct identical experiments with selected large olivine single crystals, mm-sized olivine from peridiotite nodules from the San Carlos Volcanic Field, Arizona, and the vesiculated basalt that had carried the nodules upward in the volcanic conduit. We Soxhlet-extract the crushed powders with water, THF and ethyl acetate. The extracts are analyzed at the FTICR-MS facility at Florida State University using ultrahigh resolution Mass Spectrometry techniques capable of determining the chemical composition of the organic molecules up to 600 amu and more. So far we have found several analog sequences of oxygen-rich aliphatic hydrocarbons, families with up to 34 carbon atoms, probably poly-carboxylic acids, and some families containing sulfur.

  6. Synthesis and antibacterial activity of thioglycolic amino acid derivatives and dipeptides containing the 2-methyl-3,4-dihydroquinazolin-4-one moiety.

    PubMed

    Atta, F M

    1994-11-01

    3-(2'-Chloroethyl)-2-methyl-3,4-dihydroquinazolin-4-one (I) was reacted with sodio (sodium thioglycolate) in dry dioxane and yielded compound II. By using thionyl chloride, this compound was converted to the corresponding acid chloride (III). The prepared acyl chloride (III) was allowed to interact with different alpha-amino acids such as Gly, L-Ala, L-B-Phe, DL-Asp, L-Glu, L-Thr and L-Val to give new amino acid derivatives (IVa-g). A selected C-terminal derivative of glycine (IVa) was converted into acid chloride (V). The acid chloride formed was reacted with L-Ala, L-B-Phe, DL-Asp, L-Glu, L-Thr and L-Val and yielded the new dipeptides VIa-f. The structures of the synthesized compounds were elucidated by elemental analysis and IR spectra. The prepared peptides were tested for their antimicrobial activities by comparison with tetra-cycline as a reference compound. PMID:7765582

  7. The 1.9 A Structure of the Branched-Chain Amino-Acid Transaminase (IlvE) from Mycobacterium tuberculosis

    SciTech Connect

    Tremblay, L.; Blanchard, J

    2009-01-01

    Unlike mammals, bacteria encode enzymes that synthesize branched-chain amino acids. The pyridoxal 5'-phosphate-dependent transaminase performs the final biosynthetic step in these pathways, converting keto acid precursors into {alpha}-amino acids. The branched-chain amino-acid transaminase from Mycobacterium tuberculosis (MtIlvE) has been crystallized and its structure has been solved at 1.9 {angstrom} resolution. The MtIlvE monomer is composed of two domains that interact to form the active site. The biologically active form of IlvE is a homodimer in which each monomer contributes a substrate-specificity loop to the partner molecule. Additional substrate selectivity may be imparted by a conserved N-terminal Phe30 residue, which has previously been observed to shield the active site in the type IV fold homodimer. The active site of MtIlvE contains density corresponding to bound PMP, which is likely to be a consequence of the presence of tryptone in the crystallization medium. Additionally, two cysteine residues are positioned at the dimer interface for disulfide-bond formation under oxidative conditions. It is unknown whether they are involved in any regulatory activities analogous to those of the human mitochondrial branched-chain amino-acid transaminase.

  8. Onomatopoeia characters extraction from comic images using constrained Delaunay triangulation

    NASA Astrophysics Data System (ADS)

    Liu, Xiangping; Shoji, Kenji; Mori, Hiroshi; Toyama, Fubito

    2014-02-01

    A method for extracting onomatopoeia characters from comic images was developed based on stroke width feature of characters, since they nearly have a constant stroke width in a number of cases. An image was segmented with a constrained Delaunay triangulation. Connected component grouping was performed based on the triangles generated by the constrained Delaunay triangulation. Stroke width calculation of the connected components was conducted based on the altitude of the triangles generated with the constrained Delaunay triangulation. The experimental results proved the effectiveness of the proposed method.

  9. Residual flexibility test method for verification of constrained structural models

    NASA Technical Reports Server (NTRS)

    Admire, John R.; Tinker, Michael L.; Ivey, Edward W.

    1992-01-01

    A method is presented for deriving constrained modes and frequencies from a model correlated to a set of free-free test modes and a set of measured residual flexibilities. The method involves a simple modification of the MacNeal and Rubin component mode representation to allow verification of a constrained structural model. Results for two spaceflight structures show quick convergence of constrained modes using an easily measurable set of free-free modes plus the residual flexibility matrix or its boundary partition. This paper further validates the residual flexibility approach as an alternative test/analysis method when fixed-base testing proves impractical.

  10. Minimally-Constrained Canonical Quantization of Geometrodynamics

    NASA Astrophysics Data System (ADS)

    Corne, Matthew Allan

    Finding a quantum theory of gravitation has been a long-standing problem. Einstein's theory of general relativity gives a classical description of gravity as the action of geometry on matter and matter on geometry. A theory of quantum gravity seeks to provide a quantum mechanical treatment of this process. In analogy with canonical quantization which, from classical mechanics and classical field theory, arrives at quantum mechanics and quantum field theory, canonical quantization of gravity is a family of different procedures following from the canonical (Hamiltonian) formulation of general relativity as pioneered by Dirac and Arnowitt, Deser, and Misner. Unfortunately, almost all of them exhibit pathologies, the most significant being "the problem of time evolution." Specifically, the problem arises with the use of a single operator equation both to describe quantization of the superhamiltonian constraint and as a means of enforcement of this constraint; this inhibits a meaningful notion of time-evolution. However, there is an approach that avoids this difficulty entirely: separation of the process of enforcement of constraints from the evolution of the quantum system. We investigate such an approach to gravity quantization known as minimally-constrained canonical (MC2) quantization. It is based on Wheeler's geometrodynamics and the identification of the correct dynamical degrees of freedom of the gravitational field as determined by York. Using MC2 quantization, we quantize only the dynamical degrees of freedom of gravitation. In this manuscript, we provide an exposition of this procedure as well as a presentation of other methods of canonical quantization of gravity with which to compare and contrast our approach. The first result is a justification of the way in which constraints are imposed. The problem of time evolution motivates imposing constraints as expectation values; the classical theory of general relativity---a theory with external gauge symmetry---requires, due to 3-diffeomorphism invariance, that the supermomentum constraints are automatically satisfied with the superhamiltonian constraint not automatically satisfied. In electromagnetism---a theory with internal gauge symmetry---the constraints can be applied at any point of the quantization. Practically, this manifests as selection of a particular field configuration which automatically satisfies the constraint(s). To investigate this result, we review MC2 quantization of anisotropic, homogeneous cosmologies and explore the procedure in at spacetime regarding electromagnetic plane waves, a charged particle in an electromagnetic field, and a scalar field to compare with prior approaches of quantization. The second result is an explicit demonstration that MC 2 quantization produces exactly the same results as previous quantization procedures applied to the plane wave electromagnetic field and to the scalar field. We discuss the charged particle in an electromagnetic field and how it differs, essentially by construction, from other approaches. Finally, we discuss future directions for gravity quantization including problems such as gravitational collapse, cosmology, and alternative theories of gravity.

  11. Mantle Convection Models Constrained by Seismic Tomography

    NASA Astrophysics Data System (ADS)

    Durbin, C. J.; Shahnas, M.; Peltier, W. R.; Woodhouse, J. H.

    2011-12-01

    Although available three dimensional models of the lateral heterogeneity of the mantle, based upon the latest advances in seismic tomographic imaging (e.g. Ritsema et al., 2004, JGR) have provided profound insights into aspects of the mantle general circulation that drives continental drift, the compatibility of the tomography with explicit models of mantle mixing has remained illusive. For example, it remains a significant issue as to whether hydrodynamic models of the mixing process alone are able to reconcile the observed detailed pattern of surface plate velocities or whether explicit account must be taken of elastic fracture processes to account for the observed equipartition of kinetic energy between the poloidal and toroidal components of the surface velocity pattern (e.g. Forte and Peltier, 1987, JGR). It is also an issue as to the significance of the role of mantle chemical heterogeneity in determining the buoyancy distribution that drives mantle flow, especially given the expected importance of the spin transition of iron that onsets in the mid-lower mantle, at least in the ferropericlase component of the mineralogy. In this paper we focus upon the application of data assimilation techniques to the development of a model of mantle mixing that is consistent with a modern three dimensional tomography based model of seismic body wave heterogeneity. Beginning with the simplest possible scenario, that chemical heterogeneity is irrelevant to first order, we employ a three dimensional version of the recently published control volume based convection model of Shahnas and Peltier (2010, JGR) as the basis for the assimilation of a three dimensional density field inferred from our preferred tomography model (Ritsema et al., 2004, JGR). The convection model fully incorporates the dynamical influence of the Olivine-Spinel and Spinel-Perovskite+Magnesiowustite solid-solid phase transformations that bracket the mantle transition zone as well as the recently discovered Perovskite-post-Perovskite transition (Murakami et al., 2004, Science) that appears to define the D" layer at the base of the mantle. In this initial phase of what will be a longer term project we are assuming that the internal mantle viscosity structure is spherically symmetric and compatible with the recent inferences of Peltier and Drummond (2010, Geophys. Res. Lett.) based upon glacial isostatic adjustment and Earth rotation constraints. The internal density structure inferred from the tomography model is assimilated into the convection model by continuously "nudging" the modification to the input density structure predicted by the convection model back towards the tomographic constraint at the long wavelengths that the tomography specifically resolves, leaving the shorter wavelength structure free to evolve, essentially "slaved" to the large scale structure. We focus upon the ability of the nudged model to explain observed plate velocities, including both their poloidal (divergence related) and toroidal (strike slip fault related) components. The true plate velocity field is then used as an additional field towards which the tomographically constrained solution is nudged.

  12. Constructing constrained invariant sets in multiscale continuum systems.

    PubMed

    Morgan, David; Bollt, Erik M; Schwartz, Ira B

    2003-11-01

    We present a method that we name the constrained invariant manifold method, a visualization tool to construct stable and unstable invariant sets of a map or flow, where the invariant sets are constrained to lie on a slow invariant manifold. The construction of stable and unstable sets constrained to an unstable slow manifold is exemplified in a singularly perturbed model arising from a structural-mechanical system consisting of a pendulum coupled to a viscoelastic rod. Additionally, we extend the step and stagger method [D. Sweet, H. Nusse, and J. Yorke, Phys. Rev. Lett. 86, 2261 (2001)] to calculate a delta pseudoorbit on a chaotic saddle constrained to the slow manifold in order to be able to compute the Lyapunov exponents of the saddle. PMID:14682874

  13. FXR agonist activity of conformationally constrained analogs of GW 4064

    SciTech Connect

    Akwabi-Ameyaw, Adwoa; Bass, Jonathan Y.; Caldwell, Richard D.; Caravella, Justin A.; Chen, Lihong; Creech, Katrina L.; Deaton, David N.; Madauss, Kevin P.; Marr, Harry B.; McFadyen, Robert B.; Miller, Aaron B.; Navas, III, Frank; Parks, Derek J.; Spearing, Paul K.; Todd, Dan; Williams, Shawn P.; Wisely, G. Bruce

    2010-09-27

    Two series of conformationally constrained analogs of the FXR agonist GW 4064 1 were prepared. Replacement of the metabolically labile stilbene with either benzothiophene or naphthalene rings led to the identification of potent full agonists 2a and 2g.

  14. Affine Lie algebraic origin of constrained KP hierarchies

    SciTech Connect

    Aratyn, H.; Gomes, J.F.; Zimerman, A.H.

    1995-07-01

    An affine {ital sl}({ital n}+1) algebraic construction of the basic constrained KP hierarchy is presented. This hierarchy is analyzed using two approaches, namely linear matrix eigenvalue problem on hermitian symmetric space and constrained KP Lax formulation and it is shown that these approaches are equivalent. The model is recognized to be the generalized non-linear Schroedinger @(s@Gs@Ns@LsS) hierarchy and it is used as a building block for a new class of constrained KP hierarchies. These constrained KP hierarchies are connected via similarity-Baecklund transformations and interpolate between@ s@Gs@Ns@LsS and multi-boson KP-Toda hierarchies. Our construction uncovers the origin of the Toda lattice structure behind the latter hierarchy. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  15. Constructing constrained invariant sets in multiscale continuum systems

    NASA Astrophysics Data System (ADS)

    Morgan, David; Bollt, Erik M.; Schwartz, Ira B.

    2003-11-01

    We present a method that we name the constrained invariant manifold method, a visualization tool to construct stable and unstable invariant sets of a map or flow, where the invariant sets are constrained to lie on a slow invariant manifold. The construction of stable and unstable sets constrained to an unstable slow manifold is exemplified in a singularly perturbed model arising from a structural-mechanical system consisting of a pendulum coupled to a viscoelastic rod. Additionally, we extend the step and stagger method [D. Sweet, H. Nusse, and J. Yorke, Phys. Rev. Lett. 86, 2261 (2001)] to calculate a ? pseudoorbit on a chaotic saddle constrained to the slow manifold in order to be able to compute the Lyapunov exponents of the saddle.

  16. Constrained minimization of smooth functions using a genetic algorithm

    NASA Technical Reports Server (NTRS)

    Moerder, Daniel D.; Pamadi, Bandu N.

    1994-01-01

    The use of genetic algorithms for minimization of differentiable functions that are subject to differentiable constraints is considered. A technique is demonstrated for converting the solution of the necessary conditions for a constrained minimum into an unconstrained function minimization. This technique is extended as a global constrained optimization algorithm. The theory is applied to calculating minimum-fuel ascent control settings for an energy state model of an aerospace plane.

  17. Constraining condensed-phase formation kinetics of secondary organic aerosol components from isoprene epoxydiols

    NASA Astrophysics Data System (ADS)

    Riedel, T. P.; Lin, Y.-H.; Zhang, Z.; Chu, K.; Thornton, J. A.; Vizuete, W.; Gold, A.; Surratt, J. D.

    2016-02-01

    Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.

  18. Constraining condensed-phase formation kinetics of secondary organic aerosol components from isoprene epoxydiols

    NASA Astrophysics Data System (ADS)

    Riedel, T. P.; Lin, Y.-H.; Zhang, Z.; Chu, K.; Thornton, J. A.; Vizuete, W.; Gold, A.; Surratt, J. D.

    2015-10-01

    Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall-losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.

  19. Constraining Effects of Brine Leakage from Carbon Sequestration Sites

    NASA Astrophysics Data System (ADS)

    Wunsch, A.; Navarre-Sitchler, A. K.; McCray, J. E.

    2011-12-01

    Research has shown that pressure build up associated with injection of CO2 into a deep saline aquifer has the potential to promote brine leakage into overlying formations. In order to understand and quantify chemical changes in an underground source of drinking water (USDW) invaded by deep saline brines, we analyzed over 90,000 brine geochemical data entries from the NETL NATCARB brine database to identify potential brine constituents of concern. Using a variety of statistical methods and EPA regulatory levels or standards (RLS) we narrowed the list of brine constituents of potential concern to USDWs to TDS, thallium, chloride, sulfate and arsenic. Somewhat surprisingly, the distribution of reported pH had a fairly narrow distribution around a median value of 7.4, with over 78% of values complying with EPA recommended secondary standard for drinking water acidity. The pH distribution implies that unlike pure CO2 leakage, far-field brine leakage (i.e., brine not in contact with CO2) is not expected to bear a low-pH signature, thus suggesting use of other means of geochemical monitoring for brine leakage, such as electrical conductivity. Geochemical mixing models of brine and dilute water were used to constrain mixing ratios where RLS values are exceeded for the TDS, thallium and chloride. TDS and chloride exceed the EPA secondary standards at a brine/USDW mixing ratio of 0.012 and 0.459, respectively. The thallium maximum contaminant level (MCL) is exceeded at a brine/USDW mixing ratio of 0.3753, smaller than the chloride mixing ratio. However, sorption and/or desorption processes may alter thallium concentrations along a leakage pathway resulting in lower concentrations in the aquifer than predicted by simple mixing models. While leakage into USDWs has received considerable attention, brine contamination of groundwater used for irrigation of agricultural crops is also an important area of research. Our calculations suggest that almost all crops grown in the United States will experience some decrease in yield at a brine/USDW ratio of <0.2, due to high salinity (expressed as TDS). As a stand-alone contaminant, boron that is present in brine may pose the most significant problem in irrigation waters due to low boron tolerance of many crops, particularly fruit.

  20. Constrained Local UniversE Simulations: A Local Group Factory

    NASA Astrophysics Data System (ADS)

    Carlesi, Edoardo; Sorce, Jenny G.; Hoffman, Yehuda; Gottlöber, Stefan; Yepes, Gustavo; Libeskind, Noam I.; Pilipenko, Sergey V.; Knebe, Alexander; Courtois, Hélène; Tully, R. Brent; Steinmetz, Matthias

    2016-02-01

    Near field cosmology is practiced by studying the Local Group (LG) and its neighbourhood. The present paper describes a framework for simulating the "near field" on the computer. Assuming the ΛCDM model as a prior and applying the Bayesian tools of the Wiener filter (WF) and constrained realizations of Gaussian fields to the Cosmicflows-2 (CF2) survey of peculiar velocities, constrained simulations of our cosmic environment are performed. The aim of these simulations is to reproduce the LG and its local environment. Our main result is that the LG is likely a robust outcome of the LCDM scenario when subjected to the constraint derived from CF2 data, emerging in an environment akin to the observed one. Three levels of criteria are used to define the simulated LGs. At the base level, pairs of halos must obey specific isolation, mass and separation criteria. At the second level the orbital angular momentum and energy are constrained and on the third one the phase of the orbit is constrained. Out of the 300 constrained simulations 146 LGs obey the first set of criteria, 51 the second and 6 the third. The robustness of our LG `factory' enables the construction of a large ensemble of simulated LGs. Suitable candidates for high resolution hydrodynamical simulations of the LG can be drawn from this ensemble, which can be used to perform comprehensive studies of the formation of the nature of the LG.

  1. Residual flexibility test method for verification of constrained structural models

    NASA Technical Reports Server (NTRS)

    Admire, John R.; Tinker, Michael L.; Ivey, Edward W.

    1994-01-01

    A method is described for deriving constrained modes and frequencies from a reduced model based on a subset of the free-free modes plus the residual effects of neglected modes. The method involves a simple modification of the MacNeal and Rubin component mode representation to allow development of a verified constrained (fixed-base) structural model. Results for two spaceflight structures having translational boundary degrees of freedom show quick convergence of constrained modes using a measureable number of free-free modes plus the boundary partition of the residual flexibility matrix. This paper presents the free-free residual flexibility approach as an alternative test/analysis method when fixed-base testing proves impractical.

  2. Constrained modes in control theory - Transmission zeros of uniform beams

    NASA Technical Reports Server (NTRS)

    Williams, T.

    1992-01-01

    Mathematical arguments are presented demonstrating that the well-established control system concept of the transmission zero is very closely related to the structural concept of the constrained mode. It is shown that the transmission zeros of a flexible structure form a set of constrained natural frequencies for it, with the constraints depending explicitly on the locations and the types of sensors and actuators used for control. Based on this formulation, an algorithm is derived and used to produce dimensionless plots of the zero of a uniform beam with a compatible sensor/actuator pair.

  3. Fast Energy Minimization of large Polymers Using Constrained Optimization

    SciTech Connect

    Todd D. Plantenga

    1998-10-01

    A new computational technique is described that uses distance constraints to calculate empirical potential energy minima of partially rigid molecules. A constrained minimuzation algorithm that works entirely in Cartesian coordinates is used. The algorithm does not obey the constraints until convergence, a feature that reduces ill-conditioning and allows constrained local minima to be computed more quickly than unconstrained minima. Computational speedup exceeds the 3-fold factor commonly obtained in constained molecular dynamics simulations, where the constraints must be strictly obeyed at all times.

  4. Robust head pose estimation using locality-constrained sparse coding

    NASA Astrophysics Data System (ADS)

    Kim, Hyunduk; Lee, Sang-Heon; Sohn, Myoung-Kyu

    2015-12-01

    Sparse coding (SC) method has been shown to deliver successful result in a variety of computer vision applications. However, it does not consider the underlying structure of the data in the feature space. On the other hand, locality constrained linear coding (LLC) utilizes locality constraint to project each input data into its local-coordinate system. Based on the recent success of LLC, we propose a novel locality-constrained sparse coding (LSC) method to overcome the limitation of the SC. In experiments, the proposed algorithms were applied to head pose estimation applications. Experimental results demonstrated that the LSC method is better than state-of-the-art methods.

  5. Augmented Lagrangian Method for Constrained Nuclear Density Functiional Theory

    SciTech Connect

    Staszczak, A.; Stoitsov, Mario; Baran, Andrzej K; Nazarewicz, Witold

    2010-01-01

    The augmented Lagrangian method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme Hartree-Fock-Bogoliubov (CHFB) variant. The ALM allows precise calculations of multidimensional energy surfaces in the space of collective coordinates that are needed to, e.g., determine fission pathways and saddle points; it improves accuracy of computed derivatives with respect to collective variables that are used to determine collective inertia and is well adapted to supercomputer applications.

  6. Reactivity of ferrate(VI) and ferrate(V) with amino acids

    SciTech Connect

    Sharma, V.K.; Bielski, B.H.J. )

    1991-11-13

    The oxidation of the essential amino acids by ferrate(VI) (Fe(VI)) and ferrate(V) (Fe(V)) has been studied by stopped-flow and pulse radiolysis techniques at pH 12.4 and 23-24C. FeO{sub 4}{sup 3{minus}} was formed in these studies by reduction of Fe(VI) with radiation-generated reducing radicals. Both Fe(VI) and Fe(V) react preferentially with amino acids in which the {alpha}-amino group is protonated (RCH(NH{sub 3}{sup +})COO{sup {minus}}). Rate constants (k{sub 5}) for reaction of Fe(VI) with RCH(NH{sub 3}{sup +})COO{sup {minus}} range from 10 to 10{sup 3} M{sup {minus}1} s{sup {minus}1}. The corresponding k{sub 6} values for Fe(V) are orders of magnitude higher: k{sub 6} = (0.01-5.0) {times} 10{sup 7} M{sup {minus}1} s{sup {minus}1}. Cysteine, a reducing species, reacts with Fe(VI) at a rate of d = 760 {plus minus} 49 M{sup {minus}1} s{sup {minus}1} and with FeO{sub 4}{sup 3{minus}} at a nearly diffusion-controlled rate of k = (4.0 {plus minus} 0.8) {times} 10{sup 9} M{sup {minus}1} s{sup {minus}1}; both rates were computed on the basis of (cysteine){sub tot}. The ratio k{sub 6}/k{sub 5} varies from 5 {times} 10{sup 3} to 3 {times} 10{sup 5}; for cysteine this ratio is 5 {times} 10{sup 6}. The oxidation process of amino acids initiated by Fe(V) proceeds in presence of Fe(VI) by a chain reaction in which amino acid free radicals and Fe(V) are the chain carriers.

  7. 21 CFR 888.3210 - Finger joint metal/metal constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Finger joint metal/metal constrained cemented... metal/metal constrained cemented prosthesis. (a) Identification. A finger joint metal/metal constrained..., 1996 for any finger joint metal/metal constrained cemented prosthesis that was in...

  8. 21 CFR 888.3210 - Finger joint metal/metal constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Finger joint metal/metal constrained cemented... metal/metal constrained cemented prosthesis. (a) Identification. A finger joint metal/metal constrained..., 1996 for any finger joint metal/metal constrained cemented prosthesis that was in...

  9. 21 CFR 888.3300 - Hip joint metal constrained cemented or uncemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Hip joint metal constrained cemented or uncemented... metal constrained cemented or uncemented prosthesis. (a) Identification. A hip joint metal constrained... Administration on or before December 26, 1996 for any hip joint metal constrained cemented or...

  10. 21 CFR 888.3210 - Finger joint metal/metal constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Finger joint metal/metal constrained cemented... metal/metal constrained cemented prosthesis. (a) Identification. A finger joint metal/metal constrained..., 1996 for any finger joint metal/metal constrained cemented prosthesis that was in...

  11. 21 CFR 888.3210 - Finger joint metal/metal constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Finger joint metal/metal constrained cemented... metal/metal constrained cemented prosthesis. (a) Identification. A finger joint metal/metal constrained..., 1996 for any finger joint metal/metal constrained cemented prosthesis that was in...

  12. 21 CFR 888.3210 - Finger joint metal/metal constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Finger joint metal/metal constrained cemented... metal/metal constrained cemented prosthesis. (a) Identification. A finger joint metal/metal constrained..., 1996 for any finger joint metal/metal constrained cemented prosthesis that was in...

  13. Excision technique in constrained formulations of Einstein equations: collapse scenario

    NASA Astrophysics Data System (ADS)

    Cordero-Carrión, I.; Vasset, N.; Novak, J.; Jaramillo, J. L.

    2015-04-01

    We present a new excision technique used in constrained formulations of Einstein equations to deal with black hole in numerical simulations. We show the applicability of this scheme in several scenarios. In particular, we present the dynamical evolution of the collapse of a neutron star to a black hole, using the CoCoNuT code and this excision technique.

  14. Inferring Meaningful Communities from Topology-Constrained Correlation Networks

    PubMed Central

    Hleap, Jose Sergio; Blouin, Christian

    2014-01-01

    Community structure detection is an important tool in graph analysis. This can be done, among other ways, by solving for the partition set which optimizes the modularity scores . Here it is shown that topological constraints in correlation graphs induce over-fragmentation of community structures. A refinement step to this optimization based on Linear Discriminant Analysis (LDA) and a statistical test for significance is proposed. In structured simulation constrained by topology, this novel approach performs better than the optimization of modularity alone. This method was also tested with two empirical datasets: the Roll-Call voting in the 110th US Senate constrained by geographic adjacency, and a biological dataset of 135 protein structures constrained by inter-residue contacts. The former dataset showed sub-structures in the communities that revealed a regional bias in the votes which transcend party affiliations. This is an interesting pattern given that the 110th Legislature was assumed to be a highly polarized government. The -amylase catalytic domain dataset (biological dataset) was analyzed with and without topological constraints (inter-residue contacts). The results without topological constraints showed differences with the topology constrained one, but the LDA filtering did not change the outcome of the latter. This suggests that the LDA filtering is a robust way to solve the possible over-fragmentation when present, and that this method will not affect the results where there is no evidence of over-fragmentation. PMID:25409022

  15. Multiply-Constrained Semantic Search in the Remote Associates Test

    ERIC Educational Resources Information Center

    Smith, Kevin A.; Huber, David E.; Vul, Edward

    2013-01-01

    Many important problems require consideration of multiple constraints, such as choosing a job based on salary, location, and responsibilities. We used the Remote Associates Test to study how people solve such multiply-constrained problems by asking participants to make guesses as they came to mind. We evaluated how people generated these guesses

  16. Constrained Quantum Mechanics: Chaos in Non-Planar Billiards

    ERIC Educational Resources Information Center

    Salazar, R.; Tellez, G.

    2012-01-01

    We illustrate some of the techniques to identify chaos signatures at the quantum level using as guiding examples some systems where a particle is constrained to move on a radial symmetric, but non-planar, surface. In particular, two systems are studied: the case of a cone with an arbitrary contour or "dunce hat billiard" and the rectangular

  17. Testing a Constrained MPC Controller in a Process Control Laboratory

    ERIC Educational Resources Information Center

    Ricardez-Sandoval, Luis A.; Blankespoor, Wesley; Budman, Hector M.

    2010-01-01

    This paper describes an experiment performed by the fourth year chemical engineering students in the process control laboratory at the University of Waterloo. The objective of this experiment is to test the capabilities of a constrained Model Predictive Controller (MPC) to control the operation of a Double Pipe Heat Exchanger (DPHE) in real time.…

  18. Dark Matter, Constrained Minimal Supersymmetric Standard Model, and Lattice QCD

    SciTech Connect

    Giedt, Joel; Thomas, Anthony W.; Young, Ross D.

    2009-11-13

    Recent lattice measurements have given accurate estimates of the quark condensates in the proton. We use these results to significantly improve the dark matter predictions in benchmark models within the constrained minimal supersymmetric standard model. The predicted spin-independent cross sections are at least an order of magnitude smaller than previously suggested and our results have significant consequences for dark matter searches.

  19. Using Diagnostic Text Information to Constrain Situation Models

    ERIC Educational Resources Information Center

    Dutke, Stephan; Baadte, Christiane; Hahnel, Andrea; von Hecker, Ulrich; Rinck, Mike

    2010-01-01

    During reading, the model of the situation described by the text is continuously accommodated to new text input. The hypothesis was tested that readers are particularly sensitive to diagnostic text information that can be used to constrain their existing situation model. In 3 experiments, adult participants read narratives about social situations…

  20. Applications of a Constrained Mechanics Methodology in Economics

    ERIC Educational Resources Information Center

    Janova, Jitka

    2011-01-01

    This paper presents instructive interdisciplinary applications of constrained mechanics calculus in economics on a level appropriate for undergraduate physics education. The aim of the paper is (i) to meet the demand for illustrative examples suitable for presenting the background of the highly expanding research field of econophysics even at the…

  1. Constrained Quantum Mechanics: Chaos in Non-Planar Billiards

    ERIC Educational Resources Information Center

    Salazar, R.; Tellez, G.

    2012-01-01

    We illustrate some of the techniques to identify chaos signatures at the quantum level using as guiding examples some systems where a particle is constrained to move on a radial symmetric, but non-planar, surface. In particular, two systems are studied: the case of a cone with an arbitrary contour or "dunce hat billiard" and the rectangular…

  2. Bayesian Item Selection in Constrained Adaptive Testing Using Shadow Tests

    ERIC Educational Resources Information Center

    Veldkamp, Bernard P.

    2010-01-01

    Application of Bayesian item selection criteria in computerized adaptive testing might result in improvement of bias and MSE of the ability estimates. The question remains how to apply Bayesian item selection criteria in the context of constrained adaptive testing, where large numbers of specifications have to be taken into account in the item

  3. Multiply-Constrained Semantic Search in the Remote Associates Test

    ERIC Educational Resources Information Center

    Smith, Kevin A.; Huber, David E.; Vul, Edward

    2013-01-01

    Many important problems require consideration of multiple constraints, such as choosing a job based on salary, location, and responsibilities. We used the Remote Associates Test to study how people solve such multiply-constrained problems by asking participants to make guesses as they came to mind. We evaluated how people generated these guesses…

  4. Information Retrieval by Constrained Spreading Activation in Semantic Networks.

    ERIC Educational Resources Information Center

    Cohen, Paul R.; Kjeldsen, Rick

    1987-01-01

    Describes GRANT, an expert system for finding sources of funding given research proposals. The architecture of GRANT and the implementation of constrained spreading activation (a modified search algorithm based on semantic memory) are described, and recall and precision rates are analyzed. (Author/LRW)

  5. Constrained variational calculus for higher order classical field theories

    NASA Astrophysics Data System (ADS)

    Campos, Cdric M.; de Len, Manuel; Martn de Diego, David

    2010-11-01

    We develop an intrinsic geometrical setting for higher order constrained field theories. As a main tool we use an appropriate generalization of the classical Skinner-Rusk formalism. Some examples of applications are studied, in particular to the geometrical description of optimal control theory for partial differential equations.

  6. Relationships among Several Methods of Linearly Constrained Correspondence Analysis.

    ERIC Educational Resources Information Center

    Takane, Yoshio; And Others

    1991-01-01

    Formal relationships are explored among several methods of linearly constrained correspondence analysis. The seven methods considered fall within one of two classes corresponding to ways of imposing linear constraints: the reparameterization method, and the null space method. A connection between these classes is established through a lemma by C.…

  7. Testing a Constrained MPC Controller in a Process Control Laboratory

    ERIC Educational Resources Information Center

    Ricardez-Sandoval, Luis A.; Blankespoor, Wesley; Budman, Hector M.

    2010-01-01

    This paper describes an experiment performed by the fourth year chemical engineering students in the process control laboratory at the University of Waterloo. The objective of this experiment is to test the capabilities of a constrained Model Predictive Controller (MPC) to control the operation of a Double Pipe Heat Exchanger (DPHE) in real time.

  8. Solution of a Complex Least Squares Problem with Constrained Phase.

    PubMed

    Bydder, Mark

    2010-12-30

    The least squares solution of a complex linear equation is in general a complex vector with independent real and imaginary parts. In certain applications in magnetic resonance imaging, a solution is desired such that each element has the same phase. A direct method for obtaining the least squares solution to the phase constrained problem is described. PMID:21076627

  9. Applications of a Constrained Mechanics Methodology in Economics

    ERIC Educational Resources Information Center

    Janova, Jitka

    2011-01-01

    This paper presents instructive interdisciplinary applications of constrained mechanics calculus in economics on a level appropriate for undergraduate physics education. The aim of the paper is (i) to meet the demand for illustrative examples suitable for presenting the background of the highly expanding research field of econophysics even at the

  10. Using Diagnostic Text Information to Constrain Situation Models

    ERIC Educational Resources Information Center

    Dutke, Stephan; Baadte, Christiane; Hahnel, Andrea; von Hecker, Ulrich; Rinck, Mike

    2010-01-01

    During reading, the model of the situation described by the text is continuously accommodated to new text input. The hypothesis was tested that readers are particularly sensitive to diagnostic text information that can be used to constrain their existing situation model. In 3 experiments, adult participants read narratives about social situations

  11. Constrained surface controllers for three-dimensional image data reformatting.

    PubMed

    Graves, Martin J; Black, Richard T; Lomas, David J

    2009-07-01

    This study did not require ethical approval in the United Kingdom. The aim of this work was to create two controllers for navigating a two-dimensional image plane through a volumetric data set, providing two important features of the ultrasonographic paradigm: orientation matching of the navigation device and the desired image plane in the three-dimensional (3D) data and a constraining surface to provide a nonvisual reference for the image plane location in the 3D data. The first constrained surface controller (CSC) uses a planar constraining surface, while the second CSC uses a hemispheric constraining surface. Ten radiologists were asked to obtain specific image reformations by using both controllers and a commercially available medical imaging workstation. The time taken to perform each reformatting task was recorded. The users were also asked structured questions comparing the utility of both methods. There was a significant reduction in the time taken to perform the specified reformatting tasks by using the simpler planar controller as compared with a standard workstation, whereas there was no significant difference for the more complex hemispheric controller. The majority of users reported that both controllers allowed them to concentrate entirely on the reformatting task and the related image rather than being distracted by the need for interaction with the workstation interface. In conclusion, the CSCs provide an intuitive paradigm for interactive reformatting of volumetric data. PMID:19420319

  12. How well can future CMB missions constrain cosmic inflation?

    SciTech Connect

    Martin, Jrme; Vennin, Vincent; Ringeval, Christophe E-mail: christophe.ringeval@uclouvain.be

    2014-10-01

    We study how the next generation of Cosmic Microwave Background (CMB) measurement missions (such as EPIC, LiteBIRD, PRISM and COrE) will be able to constrain the inflationary landscape in the hardest to disambiguate situation in which inflation is simply described by single-field slow-roll scenarios. Considering the proposed PRISM and LiteBIRD satellite designs, we simulate mock data corresponding to five different fiducial models having values of the tensor-to-scalar ratio ranging from 10{sup -1} down to 10{sup -7}. We then compute the Bayesian evidences and complexities of all Encyclopdia Inflationaris models in order to assess the constraining power of PRISM alone and LiteBIRD complemented with the Planck 2013 data. Within slow-roll inflation, both designs have comparable constraining power and can rule out about three quarters of the inflationary scenarios, compared to one third for Planck 2013 data alone. However, we also show that PRISM can constrain the scalar running and has the capability to detect a violation of slow roll at second order. Finally, our results suggest that describing an inflationary model by its potential shape only, without specifying a reheating temperature, will no longer be possible given the accuracy level reached by the future CMB missions.

  13. Constrained optimization schemes for geophysical inversion of seismic data

    NASA Astrophysics Data System (ADS)

    Sosa Aguirre, Uram Anibal

    Many experimental techniques in geophysics advance the understanding of Earth processes by estimating and interpreting Earth structure (e.g., velocity and/or density structure). These techniques use different types of geophysical data which can be collected and analyzed separately, sometimes resulting in inconsistent models of the Earth depending on data quality, methods and assumptions made. This dissertation presents two approaches for geophysical inversion of seismic data based on constrained optimization. In one approach we expand a one dimensional (1-D) joint inversion least-squares (LSQ) algorithm by introducing a constrained optimization methodology. Then we use the 1-D inversion results to produce 3-D Earth velocity structure models. In the second approach, we provide a unified constrained optimization framework for solving a 1-D inverse wave propagation problem. In Chapter 2 we present a constrained optimization framework for joint inversion. This framework characterizes 1-D Earth's structure by using seismic shear wave velocities as a model parameter. We create two geophysical synthetic data sets sensitive to shear velocities, namely receiver function and surface wave dispersion. We validate our approach by comparing our numerical results with a traditional unconstrained method, and also we test our approach robustness in the presence of noise. Chapter 3 extends this framework to include an interpolation technique for creating 3-D Earth velocity structure models of the Rio Grande Rift region. Chapter 5 introduces the joint inversion of multiple data sets by adding delay travel times information in a synthetic setup, and leave the posibility to include more data sets. Finally, in Chapter 4 we pose a 1-D inverse full-waveform propagation problem as a PDE-constrained optimization program, where we invert for the material properties in terms of shear wave velocities throughout the physical domain. We facilitate the implementation and comparison of different constrained optimization methods, through a unified affine invariant approach that incorporates inequality constraints for solving the inverse problem. We expect to contribute in broadening the use of constrained optimization algorithms to solve geophysical inverse problems.

  14. Folic Acid

    MedlinePLUS

    ... get enough folic acid each day? What foods contain folic acid? Can I get enough folic acid ... their doctors. Some doctors prescribe prenatal vitamins that contain higher amounts of folic acid. You are breastfeeding. ...

  15. pH and kinetic isotope effects in d-amino acid oxidase catalysis.

    PubMed

    Harris, C M; Pollegioni, L; Ghisla, S

    2001-11-01

    The effects of pH, solvent isotope, and primary isotope replacement on substrate dehydrogenation by Rhodotorula gracilis d-amino acid oxidase were investigated. The rate constant for enzyme-FAD reduction by d-alanine increases approximately fourfold with pH, reflecting apparent pKa values of approximately 6 and approximately 8, and reaches plateaus at high and low pH. Such profiles are observed in all presteady-state and steady-state kinetic experiments, using both d-alanine and d-asparagine as substrates, and are inconsistent with the operation of a base essential to catalysis. A solvent deuterium isotope effect of 3.1 +/- 1.1 is observed on the reaction with d-alanine at pH 6; it decreases to 1.2 +/- 0.2 at pH 10. The primary substrate isotope effect on the reduction rate with [2-D]d-alanine is 9.1 +/- 1.5 at low and 2.3 +/- 0.3 at high pH. At pH 6.0, the solvent isotope effect is 2.9 +/- 0.8 with [2-D]d-alanine, and the primary isotope effect is 8.4 +/- 2.4 in D2O. Thus, primary and solvent kinetic isotope effects (KIEs) are independent of the presence of the other isotope, i.e. the 'double' kinetic isotope effect is the product of the individual KIEs, consistent with a transition state in which rupture of the two bonds of the substrate to hydrogen is concerted. These results support a hydride transfer mechanism for the dehydrogenation reaction in d-amino acid oxidase and argue against the occurrence of any intermediates in the process. A pKa,app of approximately 8 is interpreted to arise from the microscopic ionization of the substrate amino acid alpha-amino group, but also includes contributions from kinetic parameters. PMID:11683874

  16. Distribution on contingency of alignment of two literal sequences under constrains.

    PubMed

    Jäntschi, Lorentz; Bolboacă, Sorana D

    2015-03-01

    The case of ungapped alignment of two literal sequences under constrains is considered. The analysis lead to general formulas for probability mass function and cumulative distribution function for the general case of using an alphabet with a chosen number of letters (e.g. 4 for deoxyribonucleic acid sequences) in the expression of the literal sequences. Formulas for three statistics including mean, mode, and standard deviation were obtained. Distributions are depicted for three important particular cases: alignment on binary sequences, alignment of trinomial series (such as coming from generalized Kronecker delta), and alignment of genetic sequences (with four literals in the alphabet). A particular case when sequences contain each letter of the alphabet at least once in both sequences has also been analyzed and some statistics for this restricted case are given. PMID:25524134

  17. Palliative therapy with I-131 labeled bezylidenediphosphonic acid: In vivo kinetics and response to pain induced by bone metastases

    SciTech Connect

    Eisenhut, M.; Berberich, R.; Kimmig, B.; Oberhausen, E.; Georgi, P.; Zum Winkel, K.

    1985-05-01

    I-131 labeled ..cap alpha..-amino-(4-hydroxybenzylidene)diphosphonic acid (BDP3) was recently suggested as a palliative acting radiopharmaceutical against pain syndromes associated with disseminated bone metastases. Such an application was supported by the in vivo kinetics of I-131-BDP3 in rats. The authors investigated the palliative effectiveness of I-131-BDP3 in 18 patients with typical pain symptoms induced by bone metastases of various primary carcinoma. The blood clearance was rapid. More than 90% disappeared from the blood pool at 4 hr after injection. The excretion of the activity occured solely through the kidneys and the median total body retention at 48 hr was 51% (range 30-64%). The thyroid activity decreased during therapy indicating no cleavage reactions as long as I-131-BDP3 is bound to the bone tissue. The binding of I-131-BDP3 to bone is very long since the effective half life was in the order of magnitude of the physical half life. Additionally the effective half lifes in the metastatic ares (median 182 hr; range 177-205 hr) proved to be longer than in unaffected areas (145 hr; 140-165 hr). The palliative therapies were performed with doses of 6 - 48 mCi. The response amounted to 44% complete pain relief, 6% substantial pain relief, 22% minimal improvement and 28% no change. The duration of response ranged between 1 and 8 weeks.

  18. Strongly Constrained and Appropriately Normed Semilocal Density Functional

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P.

    2015-07-01

    The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-generalized-gradient approximation (meta-GGA) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can. It is also exact or nearly exact for a set of "appropriate norms," including rare-gas atoms and nonbonded interactions. This strongly constrained and appropriately normed meta-GGA achieves remarkable accuracy for systems where the exact exchange-correlation hole is localized near its electron, and especially for lattice constants and weak interactions.

  19. Multiply-constrained semantic search in the Remote Associates Test.

    PubMed

    Smith, Kevin A; Huber, David E; Vul, Edward

    2013-07-01

    Many important problems require consideration of multiple constraints, such as choosing a job based on salary, location, and responsibilities. We used the Remote Associates Test to study how people solve such multiply-constrained problems by asking participants to make guesses as they came to mind. We evaluated how people generated these guesses by using Latent Semantic Analysis to measure the similarity between the guesses, cues, and answers. We found that people use two systematic strategies to solve multiply-constrained problems: (a) people produce guesses primarily on the basis of just one of the three cues at a time; and (b) people adopt a local search strategy--they make new guesses based in part on their previous guesses. These results inform how people combine constraints to search through and retrieve semantic information from memory. PMID:23587845

  20. Fractal Dimension of Geologically Constrained Crater Populations of Mercury

    NASA Astrophysics Data System (ADS)

    Mancinelli, Paolo; Pauselli, Cristina; Perugini, Diego; Lupattelli, Andrea; Federico, Costanzo

    2015-07-01

    Data gathered during the Mariner10 and MESSENGER missions are collated in this paper to classify craters into four geo-chronological units constrained to the geological map produced after MESSENGER's flybys. From the global catalogue, we classify craters, constraining them to the geological information derived from the map. We produce a size frequency distribution (SFD) finding that all crater classes show fractal behaviour: with the number of craters inversely proportional to their diameter, the exponent of the SFD (i.e., the fractal dimension of each class) shows a variation among classes. We discuss this observation as possibly being caused by endogenic and/or exogenic phenomena. Finally, we produce an interpretative scenario where, assuming a constant flux of impactors, the slope variation could be representative of rheological changes in the target materials.

  1. An Automated Translator for Model Checking Time Constrained Workflow Systems

    NASA Astrophysics Data System (ADS)

    Mashiyat, Ahmed Shah; Rabbi, Fazle; Wang, Hao; Maccaull, Wendy

    Workflows have proven to be a useful conceptualization for the automation of business processes. While formal verification methods (e.g., model checking) can help ensure the reliability of workflow systems, the industrial uptake of such methods has been slow largely due to the effort involved in modeling and the memory required to verify complex systems. Incorporation of time constraints in such systems exacerbates the latter problem. We present an automated translator, YAWL2DVE-t, which takes as input a time constrained workflow model built with the graphical modeling tool YAWL, and outputs the model in DVE, the system specification language for the distributed LTL model checker DiVinE. The automated translator, together with the graphical editor and the distributed model checker, provides a method for rapid design, verification and refactoring of time constrained workflow systems. We present a realistic case study developed through collaboration with the local health authority.

  2. Grammatical context constrains lexical competition in spoken word recognition.

    PubMed

    Strand, Julia; Simenstad, Andrea; Cooperman, Allison; Rowe, Jonathon

    2014-05-01

    When perceiving spoken language, listeners must match the incoming acoustic phonetic input to lexical representations in memory. Models that quantify this process propose that the input activates multiple lexical representations in parallel and that these activated representations compete for recognition (Weber & Scharenborg, 2012). In two experiments, we assessed how grammatically constraining contexts alter the process of lexical competition. The results suggest that grammatical context constrains the lexical candidates that are activated to grammatically appropriate competitors. Stimulus words with little competition from items of the same grammatical class benefit more from the addition of grammatical context than do words with more within-class competition. The results provide evidence that top-down contextual information is integrated in the early stages of word recognition. We propose adding a grammatical class level of analysis to existing models of word recognition to account for these findings. PMID:24288171

  3. A Constrained Multibody System Dynamics Avoiding Kinematic Singularities

    NASA Astrophysics Data System (ADS)

    Huang, Chih-Fang; Yan, Chang-Dau; Jeng, Shyr-Long; Cheing, Wei-Hua

    In the analysis of constrained multibody systems, the constraint reaction forces are normally expressed in terms of the constraint equations and a vector of Lagrange multipliers. Because it fails to incorporate conservation of momentum, the Lagrange multiplier method is deficient when the constraint Jacobian matrix is singular. This paper presents an improved dynamic formulation for the constrained multibody system. In our formulation, the kinematic constraints are still formulated in terms of the joint constraint reaction forces and moments; however, the formulations are based on a second-order Taylor expansion so as to incorporate the rigid body velocities. Conservation of momentum is included explicitly in this method; hence the problems caused by kinematic singularities can be avoided. In addition, the dynamic formulation is general and applicable to most dynamic analyses. Finally the 3-leg Stewart platform is used for the example of analysis.

  4. Functional coupling constrains craniofacial diversification in Lake Tanganyika cichlids.

    PubMed

    Tsuboi, Masahito; Gonzalez-Voyer, Alejandro; Kolm, Niclas

    2015-05-01

    Functional coupling, where a single morphological trait performs multiple functions, is a universal feature of organismal design. Theory suggests that functional coupling may constrain the rate of phenotypic evolution, yet empirical tests of this hypothesis are rare. In fish, the evolutionary transition from guarding the eggs on a sandy/rocky substrate (i.e. substrate guarding) to mouthbrooding introduces a novel function to the craniofacial system and offers an ideal opportunity to test the functional coupling hypothesis. Using a combination of geometric morphometrics and a recently developed phylogenetic comparative method, we found that head morphology evolution was 43% faster in substrate guarding species than in mouthbrooding species. Furthermore, for species in which females were solely responsible for mouthbrooding the males had a higher rate of head morphology evolution than in those with bi-parental mouthbrooding. Our results support the hypothesis that adaptations resulting in functional coupling constrain phenotypic evolution. PMID:25948565

  5. Matter coupling in partially constrained vielbein formulation of massive gravity

    NASA Astrophysics Data System (ADS)

    De Felice, Antonio; Gümrükçüoğlu, A. Emir; Heisenberg, Lavinia; Mukohyama, Shinji

    2016-01-01

    We consider a linear effective vielbein matter coupling without introducing the Boulware-Deser ghost in ghost-free massive gravity. This is achieved in the partially constrained vielbein formulation. We first introduce the formalism and prove the absence of ghost at all scales. As next we investigate the cosmological application of this coupling in this new formulation. We show that even if the background evolution accords with the metric formulation, the perturbations display important different features in the partially constrained vielbein formulation. We study the cosmological perturbations of the two branches of solutions separately. The tensor perturbations coincide with those in the metric formulation. Concerning the vector and scalar perturbations, the requirement of absence of ghost and gradient instabilities yields slightly different allowed parameter space.

  6. Functional coupling constrains craniofacial diversification in Lake Tanganyika cichlids

    PubMed Central

    Tsuboi, Masahito; Gonzalez-Voyer, Alejandro; Kolm, Niclas

    2015-01-01

    Functional coupling, where a single morphological trait performs multiple functions, is a universal feature of organismal design. Theory suggests that functional coupling may constrain the rate of phenotypic evolution, yet empirical tests of this hypothesis are rare. In fish, the evolutionary transition from guarding the eggs on a sandy/rocky substrate (i.e. substrate guarding) to mouthbrooding introduces a novel function to the craniofacial system and offers an ideal opportunity to test the functional coupling hypothesis. Using a combination of geometric morphometrics and a recently developed phylogenetic comparative method, we found that head morphology evolution was 43% faster in substrate guarding species than in mouthbrooding species. Furthermore, for species in which females were solely responsible for mouthbrooding the males had a higher rate of head morphology evolution than in those with bi-parental mouthbrooding. Our results support the hypothesis that adaptations resulting in functional coupling constrain phenotypic evolution. PMID:25948565

  7. ConStrains identifies microbial strains in metagenomic datasets.

    PubMed

    Luo, Chengwei; Knight, Rob; Siljander, Heli; Knip, Mikael; Xavier, Ramnik J; Gevers, Dirk

    2015-10-01

    An important fraction of microbial diversity is harbored in strain individuality, so identification of conspecific bacterial strains is imperative for improved understanding of microbial community functions. Limitations in bioinformatics and sequencing technologies have to date precluded strain identification owing to difficulties in phasing short reads to faithfully recover the original strain-level genotypes, which have highly similar sequences. We present ConStrains, an open-source algorithm that identifies conspecific strains from metagenomic sequence data and reconstructs the phylogeny of these strains in microbial communities. The algorithm uses single-nucleotide polymorphism (SNP) patterns in a set of universal genes to infer within-species structures that represent strains. Applying ConStrains to simulated and host-derived datasets provides insights into microbial community dynamics. PMID:26344404

  8. Inadequacy of single-impulse transfers for path constrained rendezvous

    NASA Technical Reports Server (NTRS)

    Stern, S. A.; Soileau, K. M.

    1987-01-01

    The use of single-impulse techniques to maneuver from point to point about a large space structure (LSS) with an arbitrary geometrical configuration and spin is examined. Particular consideration is given to transfers with both endpoints on the forbidden zone surface. Clohessy-Wiltshire equations of relative motion are employed to solve path constrained rendezvous problems. External and internal transfers between arbitrary points are analyzed in terms of tangential departure and arrival conditions. It is observed that single-impulse techniques are inadequate for transferring about the exterior of any LSS; however, single-impulse transfers are applicable for transfers in the interior of LSSs. It is concluded that single-impulse transducers are not applicable for path constrained rendezvous guidance.

  9. Dark matter scenarios in a constrained model with Dirac gauginos

    NASA Astrophysics Data System (ADS)

    Goodsell, M. D.; Krauss, M. E.; Mller, T.; Porod, W.; Staub, F.

    2015-10-01

    We perform the first analysis of Dark Matter scenarios in a constrained model with Dirac Gauginos. The model under investigation is the Constrained Minimal Dirac Gaugino Supersymmetric Standard model (CMDGSSM) where the Majorana mass terms of gauginos vanish. However, R-symmetry is broken in the Higgs sector by an explicit and/or effective B ? -term. This causes a mass splitting between Dirac states in the fermion sector and the neutralinos, which provide the dark matter candidate, become pseudo-Dirac states. We discuss two scenarios: the universal case with all scalar masses unified at the GUT scale, and the case with non-universal Higgs soft-terms. We identify different regions in the parameter space which fulfill all constraints from the dark matter abundance, the limits from SUSY and direct dark matter searches and the Higgs mass. Most of these points can be tested with the next generation of direct dark matter detection experiments.

  10. Topoisomerase V relaxes supercoiled DNA by a constrained swiveling mechanism.

    PubMed

    Taneja, Bhupesh; Schnurr, Bernhard; Slesarev, Alexei; Marko, John F; Mondragn, Alfonso

    2007-09-11

    Topoisomerase V is a type I topoisomerase without structural or sequence similarities to other topoisomerases. Although it belongs to the type I subfamily of topoisomerases, it is unrelated to either type IA or IB enzymes. We used real-time single-molecule micromechanical experiments to show that topoisomerase V relaxes DNA via events that release multiple DNA turns, employing a constrained swiveling mechanism similar to that for type IB enzymes. Relaxation is powered by the torque in the supercoiled DNA and is constrained by friction between the protein and the DNA. Although all type IB enzymes share a common structure and mechanism and type IA and type II enzymes show marked structural and functional similarities, topoisomerase V represents a different type of topoisomerase that relaxes DNA in a similar overall manner as type IB molecules but by using a completely different structural and mechanistic framework. PMID:17804808

  11. Evolutionary pattern search algorithms for unconstrained and linearly constrained optimization

    SciTech Connect

    HART,WILLIAM E.

    2000-06-01

    The authors describe a convergence theory for evolutionary pattern search algorithms (EPSAs) on a broad class of unconstrained and linearly constrained problems. EPSAs adaptively modify the step size of the mutation operator in response to the success of previous optimization steps. The design of EPSAs is inspired by recent analyses of pattern search methods. The analysis significantly extends the previous convergence theory for EPSAs. The analysis applies to a broader class of EPSAs,and it applies to problems that are nonsmooth, have unbounded objective functions, and which are linearly constrained. Further, they describe a modest change to the algorithmic framework of EPSAs for which a non-probabilistic convergence theory applies. These analyses are also noteworthy because they are considerably simpler than previous analyses of EPSAs.

  12. The Pendulum: From Constrained Fall to the Concept of Potential

    NASA Astrophysics Data System (ADS)

    Bevilacqua, Fabio; Falomo, Lidia; Fregonese, Lucio; Giannetto, Enrico; Giudice, Franco; Mascheretti, Paolo

    2006-08-01

    Kuhn underlined the relevance of Galileos gestalt switch in the interpretation of a swinging body from constrained fall to time metre. But the new interpretation did not eliminate the older one. The constrained fall, both in the motion of pendulums and along inclined planes, led Galileo to the law of free fall. Experimenting with physical pendulums and assuming the impossibility of perpetual motion Huygens obtained a law of conservation of vis viva at specific positions, beautifully commented by Mach. Daniel Bernoulli generalised Huygens results introducing the concept of potential and the related independence of the work done from the trajectories (paths) followed: vis viva conservation at specific positions is now linked with the potential. Feynmans modern way of teaching the subject shows striking similarities with Bernoullis approach. A number of animations and simulations can help to visualise and teach some of the pendulums interpretations related to what we now see as instances of energy conservation.

  13. A Projection Neural Network for Constrained Quadratic Minimax Optimization.

    PubMed

    Liu, Qingshan; Wang, Jun

    2015-11-01

    This paper presents a projection neural network described by a dynamic system for solving constrained quadratic minimax programming problems. Sufficient conditions based on a linear matrix inequality are provided for global convergence of the proposed neural network. Compared with some of the existing neural networks for quadratic minimax optimization, the proposed neural network in this paper is capable of solving more general constrained quadratic minimax optimization problems, and the designed neural network does not include any parameter. Moreover, the neural network has lower model complexities, the number of state variables of which is equal to that of the dimension of the optimization problems. The simulation results on numerical examples are discussed to demonstrate the effectiveness and characteristics of the proposed neural network. PMID:25966485

  14. Image coding using entropy-constrained residual vector quantization

    NASA Technical Reports Server (NTRS)

    Kossentini, Faouzi; Smith, Mark J. T.; Barnes, Christopher F.

    1993-01-01

    The residual vector quantization (RVQ) structure is exploited to produce a variable length codeword RVQ. Necessary conditions for the optimality of this RVQ are presented, and a new entropy-constrained RVQ (ECRVQ) design algorithm is shown to be very effective in designing RVQ codebooks over a wide range of bit rates and vector sizes. The new EC-RVQ has several important advantages. It can outperform entropy-constrained VQ (ECVQ) in terms of peak signal-to-noise ratio (PSNR), memory, and computation requirements. It can also be used to design high rate codebooks and codebooks with relatively large vector sizes. Experimental results indicate that when the new EC-RVQ is applied to image coding, very high quality is achieved at relatively low bit rates.

  15. Mutualism meltdown in insects: Bacteria constrain thermal adaptation

    PubMed Central

    Wernegreen, Jennifer J.

    2013-01-01

    Predicting whether and how organisms will successfully cope with climate change presents critical questions for biologists and environmental scientists. Models require knowing how organisms interact with their abiotic environment, as well understanding biotic interactions that include a network of symbioses in which all species are embedded. Bacterial symbionts of insects offer valuable models to examine how microbes can facilitate and constrain adaptation to a changing environment. While some symbionts confer plasticity that accelerates adaptation, long-term bacterial mutualists of insects are characterized by tight lifestyle constraints, genome deterioration, and vulnerability to thermal stress. These essential bacterial partners are eliminated at high temperatures, analogous to the loss of zooanthellae during coral bleaching. Recent field-based studies suggest that thermal sensitivity of bacterial mutualists constrains insect responses. In this sense, highly dependent mutualisms may be the Achilles heel of thermal responses in insects. PMID:22381679

  16. A second-generation constrained reaction volume shock tube

    NASA Astrophysics Data System (ADS)

    Campbell, M. F.; Tulgestke, A. M.; Davidson, D. F.; Hanson, R. K.

    2014-05-01

    We have developed a shock tube that features a sliding gate valve in order to mechanically constrain the reactive test gas mixture to an area close to the shock tube endwall, separating it from a specially formulated non-reactive buffer gas mixture. This second-generation Constrained Reaction Volume (CRV) strategy enables near-constant-pressure shock tube test conditions for reactive experiments behind reflected shocks, thereby enabling improved modeling of the reactive flow field. Here we provide details of the design and operation of the new shock tube. In addition, we detail special buffer gas tailoring procedures, analyze the buffer/test gas interactions that occur on gate valve opening, and outline the size range of fuels that can be studied using the CRV technique in this facility. Finally, we present example low-temperature ignition delay time data to illustrate the CRV shock tube's performance.

  17. CONMIN: A FORTRAN program for constrained function minimization: User's manual

    NASA Technical Reports Server (NTRS)

    Vanderplaats, G. N.

    1973-01-01

    CONMIN is a FORTRAN program, in subroutine form, for the solution of linear or nonlinear constrained optimization problems. The basic optimization algorithm is the Method of Feasible Directions. The user must provide a main calling program and an external routine to evaluate the objective and constraint functions and to provide gradient information. If analytic gradients of the objective or constraint functions are not available, this information is calculated by finite difference. While the program is intended primarily for efficient solution of constrained problems, unconstrained function minimization problems may also be solved, and the conjugate direction method of Fletcher and Reeves is used for this purpose. This manual describes the use of CONMIN and defines all necessary parameters. Sufficient information is provided so that the program can be used without special knowledge of optimization techniques. Sample problems are included to help the user become familiar with CONMIN and to make the program operational.

  18. Anti-B-B Mixing Constrains Topcolor-Assisted Technicolor

    SciTech Connect

    Burdman, Gustavo; Lane, Kenneth; Rador, Tonguc

    2000-12-06

    We argue that extended technicolor augmented with topcolor requires that all mixing between the third and the first two quark generations resides in the mixing matrix of left-handed down quarks. Then, the anti-B_d--B_d mixing that occurs in topcolor models constrains the coloron and Z' boson masses to be greater than about 5 TeV. This implies fine tuning of the topcolor couplings to better than 1percent.

  19. Constraining Models of Postglacial Rebound Using Space Geodesy

    NASA Astrophysics Data System (ADS)

    Argus, D. F.; Peltier, W.

    2008-12-01

    We are using observations from five space techniques (VLBI, SLR, GPS, DORIS, and GRACE) to (1) determine the character of Earth's viscous response to unloading of the ice sheets 5 to 20 thousand years ago, and (2) constrain models of postglacial rebound determined primarily from Holocene estimates of relative sea level and geophysical observations of Earth's spin and shape. The horizontal estimates of site velocity are constraining the postglacial rebound model. Places along the margins of the former Laurentide and Fennoscandia ice sheets are moving horizontally away from the centers at about 1 millimeter per year, at the speed predicted by the model of Peltier [1994], but significantly slower than the speeds predicted by the models of Peltier [1996] and Peltier [2004]. The parts of Antarctic, Eurasian, and North American plate interiors neither beneath nor along the margins of the former ice sheets are hardly deforming at all, allowing the angular velocity of the plates to be estimated meaningfully. The vertical estimates of site velocity are also constraining the postglacial rebound model. Algonquin Park (Ontario) is rising at 2.5 millimeters per year and Yellowknife (Northwest Territories) at 6 millimeters per year, constraining the thickness of the Laurentia ice sheet 20 thousand years ago. The eastern and central United States is subsiding at 1 to 2 millimeter per year, at about the speeds predicted by the models of Peltier [1994], Peltier [1996], and Peltier [2004]. We are attempting to modify the ice sheet thickness, mantle viscosity, and elastic lithospheric thickness in the model to fit all geodetic and geologic observations. We are furthermore quantifying the uncertainty in estimates of vertical velocity due to uncertainty in the velocity of Earth's center.

  20. Juno radio science observations to constrain Jupiter's moment of inertia

    NASA Astrophysics Data System (ADS)

    Le Maistre, S.; Folkner, W. M.; Jacobson, R. A.

    2015-10-01

    Through detailed and realistic numerical simulations, the present study assesses the precision with which Juno can measure the normalized polar moment of inertia (MOI) of Jupiter. Based on Ka-band Doppler and range data, this analysis shows that the determination of the precession rate of Jupiter is by far more efficient than the previously proposed Lense-Thirring effect to determine the moment of inertia and therefore to constrain the internal structure of the giant planet with Juno.

  1. Asynchronous parallel generating set search for linearly-constrained optimization.

    SciTech Connect

    Kolda, Tamara G.; Griffin, Joshua; Lewis, Robert Michael

    2007-04-01

    We describe an asynchronous parallel derivative-free algorithm for linearly-constrained optimization. Generating set search (GSS) is the basis of ourmethod. At each iteration, a GSS algorithm computes a set of search directionsand corresponding trial points and then evaluates the objective function valueat each trial point. Asynchronous versions of the algorithm have been developedin the unconstrained and bound-constrained cases which allow the iterations tocontinue (and new trial points to be generated and evaluated) as soon as anyother trial point completes. This enables better utilization of parallel resourcesand a reduction in overall runtime, especially for problems where the objec-tive function takes minutes or hours to compute. For linearly-constrained GSS,the convergence theory requires that the set of search directions conform to the3 nearby boundary. The complexity of developing the asynchronous algorithm forthe linearly-constrained case has to do with maintaining a suitable set of searchdirections as the search progresses and is the focus of this research. We describeour implementation in detail, including how to avoid function evaluations bycaching function values and using approximate look-ups. We test our imple-mentation on every CUTEr test problem with general linear constraints and upto 1000 variables. Without tuning to individual problems, our implementationwas able to solve 95% of the test problems with 10 or fewer variables, 75%of the problems with 11-100 variables, and nearly half of the problems with100-1000 variables. To the best of our knowledge, these are the best resultsthat have ever been achieved with a derivative-free method. Our asynchronousparallel implementation is freely available as part of the APPSPACK software.4

  2. Social Emotional Optimization Algorithm for Nonlinear Constrained Optimization Problems

    NASA Astrophysics Data System (ADS)

    Xu, Yuechun; Cui, Zhihua; Zeng, Jianchao

    Nonlinear programming problem is one important branch in operational research, and has been successfully applied to various real-life problems. In this paper, a new approach called Social emotional optimization algorithm (SEOA) is used to solve this problem which is a new swarm intelligent technique by simulating the human behavior guided by emotion. Simulation results show that the social emotional optimization algorithm proposed in this paper is effective and efficiency for the nonlinear constrained programming problems.

  3. Constraining dark energy through the stability of cosmic structures

    SciTech Connect

    Pavlidou, V.; Tetradis, N.; Tomaras, T.N. E-mail: ntetrad@phys.uoa.gr

    2014-05-01

    For a general dark-energy equation of state, we estimate the maximum possible radius of massive structures that are not destabilized by the acceleration of the cosmological expansion. A comparison with known stable structures constrains the equation of state. The robustness of the constraint can be enhanced through the accumulation of additional astrophysical data and a better understanding of the dynamics of bound cosmic structures.

  4. Control of the constrained planar simple inverted pendulum

    NASA Technical Reports Server (NTRS)

    Bavarian, B.; Wyman, B. F.; Hemami, H.

    1983-01-01

    Control of a constrained planar inverted pendulum by eigenstructure assignment is considered. Linear feedback is used to stabilize and decouple the system in such a way that specified subspaces of the state space are invariant for the closed-loop system. The effectiveness of the feedback law is tested by digital computer simulation. Pre-compensation by an inverse plant is used to improve performance.

  5. Simulation of phase boundaries using constrained cell models.

    PubMed

    Nayhouse, Michael; Heng, Vincent R; Amlani, Ankur M; Orkoulas, G

    2012-09-19

    Despite impressive advances, precise simulation of fluid-fluid and fluid-solid phase transitions still remains a challenging task. The present work focuses on the determination of the phase diagram of a system of particles that interact through a pair potential, ?(r), which is of the form ?(r) = 4?[(?/r)(2n) - (?/r)(n)] with n = 12. The vapor-liquid phase diagram of this model is established from constant-pressure simulations and flat-histogram techniques. The properties of the solid phase are obtained from constant-pressure simulations using constrained cell models. In the constrained cell model, the simulation volume is divided into Wigner-Seitz cells and each particle is confined to moving in a single cell. The constrained cell model is a limiting case of a more general cell model which is constructed by adding a homogeneous external field that controls the relative stability of the fluid and the solid phase. Fluid-solid coexistence at a reduced temperature of 2 is established from constant-pressure simulations of the generalized cell model. The previous fluid-solid coexistence point is used as a reference point in the determination of the fluid-solid phase boundary through a thermodynamic integration type of technique based on histogram reweighting. Since the attractive interaction is of short range, the vapor-liquid transition is metastable against crystallization. In the present work, the phase diagram of the corresponding constrained cell model is also determined. The latter is found to contain a stable vapor-liquid critical point and a triple point. PMID:22850590

  6. Dynamical spacetimes and gravitational radiation in a Fully Constrained Formulation

    NASA Astrophysics Data System (ADS)

    Cordero-Carrin, Isabel; Cerd-Durn, Pablo; Mara Ibez, Jos

    2010-05-01

    This contribution summarizes the recent work carried out to analyze the behavior of the hyperbolic sector of the Fully Constrained Formulation (FCF) derived in Bonazzola et al. 2004. The numerical experiments presented here allows one to be confident in the performances of the upgraded version of CoCoNuT's code by replacing the Conformally Flat Condition (CFC) approximation of the Einstein equations by the FCF.

  7. Reservoir characterization with sequential Gaussian simulation constrained by diffraction tomography

    SciTech Connect

    Lo, T.W.; Bermawi, A.

    1994-12-31

    A geostatistical approach for reservoir characterization that honors both surface seismic data and wireline data is described. It first computes a velocity profiles with seismic diffraction tomography, then, performs kriging with an external drift and sequential Gaussian simulation using the velocity profiles as soft data and the sonic logs as hard data. The product is a velocity profile with a resolution as high as that of the smoothed sonic logs, showing lateral velocity variations constrained by surface seismic data.

  8. Constraining ecosystem processes from tower fluxes and atmospheric profiles.

    PubMed

    Hill, T C; Williams, M; Woodward, F I; Moncrieff, J B

    2011-07-01

    The planetary boundary layer (PBL) provides an important link between the scales and processes resolved by global atmospheric sampling/modeling and site-based flux measurements. The PBL is in direct contact with the land surface, both driving and responding to ecosystem processes. Measurements within the PBL (e.g., by radiosondes, aircraft profiles, and flask measurements) have a footprint, and thus an integrating scale, on the order of 1-100 km. We use the coupled atmosphere-biosphere model (CAB) and a Bayesian data assimilation framework to investigate the amount of biosphere process information that can be inferred from PBL measurements. We investigate the information content of PBL measurements in a two-stage study. First, we demonstrate consistency between the coupled model (CAB) and measurements, by comparing the model to eddy covariance flux tower measurements (i.e., water and carbon fluxes) and also PBL scalar profile measurements (i.e., water, carbon dioxide, and temperature) from Canadian boreal forest. Second, we use the CAB model in a set of Bayesian inversions experiments using synthetic data for a single day. In the synthetic experiment, leaf area and respiration were relatively well constrained, whereas surface albedo and plant hydraulic conductance were only moderately constrained. Finally, the abilities of the PBL profiles and the eddy covariance data to constrain the parameters were largely similar and only slightly lower than the combination of both observations. PMID:21830696

  9. Real-time optimal trajectory generation for constrained dynamical systems

    NASA Astrophysics Data System (ADS)

    Milam, Mark Bradley

    With the advent of powerful computing and efficient computational algorithms, real-time solutions to constrained optimal control problems are nearing a reality. In this thesis, we develop a computationally efficient Nonlinear Trajectory Generation (NTG) algorithm and describe its software implementation to solve, in real-time, nonlinear optimal trajectory generation problems for constrained systems. NTG is a nonlinear trajectory generation software package that combines nonlinear control theory, B-spline basis functions, and nonlinear programming. We compare NTG with other numerical optimal control problem solution techniques, such as direct collocation, shooting, adjoints, and differential inclusions. We demonstrate the performance of NTG on the Caltech Ducted Fan testbed. Aggressive, constrained optimal control problems are solved in real-time for hover-to-hover, forward flight, and terrain avoidance test cases. Real-time trajectory generation results are shown for both the two-degree of freedom and receding horizon control designs. Further experimental demonstration is provided with the station-keeping, reconfiguration, and deconfiguration of micro-satellite formation with complex nonlinear constraints. Successful application of NTG in these cases demonstrates reliable real-time trajectory generation, even for highly nonlinear and non-convex systems. The results are among the first to apply receding horizon control techniques for agile flight in an experimental setting, using representative dynamics and computation.

  10. Performance enhancement for GPS positioning using constrained Kalman filtering

    NASA Astrophysics Data System (ADS)

    Guo, Fei; Zhang, Xiaohong; Wang, Fuhong

    2015-08-01

    Over the past decades Kalman filtering (KF) algorithms have been extensively investigated and applied in the area of kinematic positioning. In the application of KF in kinematic precise point positioning (PPP), it is often the case where some known functional or theoretical relations exist among the unknown state parameters, which can be and should be made use of to enhance the performance of kinematic PPP, especially in an urban and forest environment. The central task of this paper is to effectively blend the commonly used GNSS data and internal/external additional constrained information to generate an optimal PPP solution. This paper first investigates the basic algorithm of constrained Kalman filtering. Then two types of PPP model with speed constraints and trajectory constraints, respectively, are proposed. Further validation tests based on a variety of situations show that the positioning performances (positioning accuracy, reliability and continuity) from the constrained Kalman filter are significantly superior to those from the conventional Kalman filter, particularly under extremely poor observation conditions.

  11. Applications of a constrained mechanics methodology in economics

    NASA Astrophysics Data System (ADS)

    Janová, Jitka

    2011-11-01

    This paper presents instructive interdisciplinary applications of constrained mechanics calculus in economics on a level appropriate for undergraduate physics education. The aim of the paper is (i) to meet the demand for illustrative examples suitable for presenting the background of the highly expanding research field of econophysics even at the undergraduate level and (ii) to enable the students to gain a deeper understanding of the principles and methods routinely used in mechanics by looking at the well-known methodology from the different perspective of economics. Two constrained dynamic economic problems are presented using the economic terminology in an intuitive way. First, the Phillips model of the business cycle is presented as a system of forced oscillations and the general problem of two interacting economies is solved by the nonholonomic dynamics approach. Second, the Cass-Koopmans-Ramsey model of economical growth is solved as a variational problem with a velocity-dependent constraint using the vakonomic approach. The specifics of the solution interpretation in economics compared to mechanics is discussed in detail, a discussion of the nonholonomic and vakonomic approaches to constrained problems in mechanics and economics is provided and an economic interpretation of the Lagrange multipliers (possibly surprising for the students of physics) is carefully explained. This paper can be used by the undergraduate students of physics interested in interdisciplinary physics applications to gain an understanding of the current scientific approach to economics based on a physical background, or by university teachers as an attractive supplement to classical mechanics lessons.

  12. Pattern search algorithms for mixed variable general constrained optimization problems

    NASA Astrophysics Data System (ADS)

    Abramson, Mark Aaron

    A new class of algorithms for solving nonlinearly constrained mixed variable optimization problems is presented. The Audet-Dennis Generalized Pattern Search (GPS) algorithm for bound constrained mixed variable optimization problems is extended to problems with general nonlinear constraints by incorporating a filter, in which new iterates are accepted whenever they decrease the incumbent objective function value or constraint violation function value. Additionally, the algorithm can exploit any available derivative information (or rough approximation thereof) to speed convergence without sacrificing the flexibility often employed by GPS methods to find better local optima. In generalizing existing GPS algorithms, the new theoretical convergence results presented here reduce seamlessly to existing results for more specific classes of problems. While no local continuity or smoothness assumptions are made, a hierarchy of theoretical convergence results is given, in which the assumptions dictate what can be proved about certain limit points of the algorithm. A new Matlab(c) software package was developed to implement these algorithms. Numerical results are provided for several nonlinear optimization problems from the CUTE test set, as well as a difficult nonlinearly constrained mixed variable optimization problem in the design of a load-bearing thermal insulation system used in cryogenic applications.

  13. Short-Term Results of Novel Constrained Total Hip Arthroplasty

    PubMed Central

    Pace, Thomas; Finley, Stephen; Snider, Rebecca; Looper, Jayme; Tanner, Stephanie

    2015-01-01

    Constrained acetabular components have only been recommended as a salvage option for the persistently unstable total hip arthroplasty (THA), due to limited range of motion and less than satisfactory component failure rates. This is a retrospective review of 137 patients with 154 consecutive primary constrained THAs performed between November 2003 and August 2007. We reviewed serial radiographs, postoperative complications, groin/thigh pain, and compared preoperative and postoperative Harris Hip Scores. With a mean follow-up of 6 years, there was 1.9% dislocation rate, 0% component failure rate, and 2.6% infection rate. Seven patients reported continued groin pain, and three had continued thigh pain. One patient showed radiographic evidence of 1 mm polyethylene wear. Radiographic review showed no evidence of osteolysis or stem subsidence. Harris Hip Scores improved from a mean of 68.8 (range 58-87) preoperatively to 98.9 (range 65-100) at final clinical assessment. This constrained acetabular prosthesis had a dislocation rate of less than 2%, with 0% component failure rate at a minimum of 2 years of follow-up suggesting this prosthesis may be a viable alternative for patients at risk for instability or those known to have recurrent instability. PMID:26330992

  14. Constrained novelty search: a study on game content generation.

    PubMed

    Liapis, Antonios; Yannakakis, Georgios N; Togelius, Julian

    2015-01-01

    Novelty search is a recent algorithm geared toward exploring search spaces without regard to objectives. When the presence of constraints divides a search space into feasible space and infeasible space, interesting implications arise regarding how novelty search explores such spaces. This paper elaborates on the problem of constrained novelty search and proposes two novelty search algorithms which search within both the feasible and the infeasible space. Inspired by the FI-2pop genetic algorithm, both algorithms maintain and evolve two separate populations, one with feasible and one with infeasible individuals, while each population can use its own selection method. The proposed algorithms are applied to the problem of generating diverse but playable game levels, which is representative of the larger problem of procedural game content generation. Results show that the two-population constrained novelty search methods can create, under certain conditions, larger and more diverse sets of feasible game levels than current methods of novelty search, whether constrained or unconstrained. However, the best algorithm is contingent on the particularities of the search space and the genetic operators used. Additionally, the proposed enhancement of offspring boosting is shown to enhance performance in all cases of two-population novelty search. PMID:24605847

  15. Constraining Solar Flare Differential Emission Measures with EVE and RHESSI

    NASA Astrophysics Data System (ADS)

    Caspi, Amir; McTiernan, James M.; Warren, Harry P.

    2014-06-01

    Deriving a well-constrained differential emission measure (DEM) distribution for solar flares has historically been difficult, primarily because no single instrument is sensitive to the full range of coronal temperatures observed in flares, from lsim2 to gsim50 MK. We present a new technique, combining extreme ultraviolet (EUV) spectra from the EUV Variability Experiment (EVE) onboard the Solar Dynamics Observatory with X-ray spectra from the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI), to derive, for the first time, a self-consistent, well-constrained DEM for jointly observed solar flares. EVE is sensitive to ~2-25 MK thermal plasma emission, and RHESSI to gsim10 MK together, the two instruments cover the full range of flare coronal plasma temperatures. We have validated the new technique on artificial test data, and apply it to two X-class flares from solar cycle 24 to determine the flare DEM and its temporal evolution; the constraints on the thermal emission derived from the EVE data also constrain the low energy cutoff of the non-thermal electrons, a crucial parameter for flare energetics. The DEM analysis can also be used to predict the soft X-ray flux in the poorly observed ~0.4-5 nm range, with important applications for geospace science.

  16. Groundwater availability as constrained by hydrogeology and environmental flows

    USGS Publications Warehouse

    Watson, Katelyn A.; Mayer, Alex S.; Reeves, Howard W.

    2014-01-01

    Groundwater pumping from aquifers in hydraulic connection with nearby streams has the potential to cause adverse impacts by decreasing flows to levels below those necessary to maintain aquatic ecosystems. The recent passage of the Great Lakes-St. Lawrence River Basin Water Resources?Compact has brought attention to this issue in the Great Lakes region. In particular, the legislation requires the Great Lakes states to enact measures for limiting water withdrawals that can cause adverse ecosystem impacts. This study explores how both hydrogeologic and environmental flow limitations may constrain groundwater availability in the Great Lakes Basin. A methodology for calculating maximum allowable pumping rates is presented. Groundwater availability across the basin may be constrained by a combination of hydrogeologic yield and environmental flow limitations varying over both local and regional scales. The results are sensitive to factors such as pumping time, regional and local hydrogeology, streambed conductance, and streamflow depletion limits. Understanding how these restrictions constrain groundwater usage and which hydrogeologic characteristics and spatial variables have the most influence on potential streamflow depletions has important water resources policy and management implications.

  17. CONSTRAINING SOLAR FLARE DIFFERENTIAL EMISSION MEASURES WITH EVE AND RHESSI

    SciTech Connect

    Caspi, Amir; McTiernan, James M.; Warren, Harry P.

    2014-06-20

    Deriving a well-constrained differential emission measure (DEM) distribution for solar flares has historically been difficult, primarily because no single instrument is sensitive to the full range of coronal temperatures observed in flares, from ≲2 to ≳50 MK. We present a new technique, combining extreme ultraviolet (EUV) spectra from the EUV Variability Experiment (EVE) onboard the Solar Dynamics Observatory with X-ray spectra from the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI), to derive, for the first time, a self-consistent, well-constrained DEM for jointly observed solar flares. EVE is sensitive to ∼2-25 MK thermal plasma emission, and RHESSI to ≳10 MK; together, the two instruments cover the full range of flare coronal plasma temperatures. We have validated the new technique on artificial test data, and apply it to two X-class flares from solar cycle 24 to determine the flare DEM and its temporal evolution; the constraints on the thermal emission derived from the EVE data also constrain the low energy cutoff of the non-thermal electrons, a crucial parameter for flare energetics. The DEM analysis can also be used to predict the soft X-ray flux in the poorly observed ∼0.4-5 nm range, with important applications for geospace science.

  18. Spherical Hamiltonian Monte Carlo for Constrained Target Distributions

    PubMed Central

    Lan, Shiwei; Zhou, Bo; Shahbaba, Babak

    2015-01-01

    Statistical models with constrained probability distributions are abundant in machine learning. Some examples include regression models with norm constraints (e.g., Lasso), probit models, many copula models, and Latent Dirichlet Allocation (LDA) models. Bayesian inference involving probability distributions confined to constrained domains could be quite challenging for commonly used sampling algorithms. For such problems, we propose a novel Markov Chain Monte Carlo (MCMC) method that provides a general and computationally efficient framework for handling boundary conditions. Our method first maps the D-dimensional constrained domain of parameters to the unit ball B0D(1), then augments it to a D-dimensional sphere SD such that the original boundary corresponds to the equator of SD. This way, our method handles the constraints implicitly by moving freely on the sphere generating proposals that remain within boundaries when mapped back to the original space. To improve the computational efficiency of our algorithm, we divide the dynamics into several parts such that the resulting split dynamics has a partial analytical solution as a geodesic flow on the sphere. We apply our method to several examples including truncated Gaussian, Bayesian Lasso, Bayesian bridge regression, and a copula model for identifying synchrony among multiple neurons. Our results show that the proposed method can provide a natural and efficient framework for handling several types of constraints on target distributions. PMID:25914759

  19. Towards better constrained models of the solar magnetic cycle

    NASA Astrophysics Data System (ADS)

    Munoz-Jaramillo, Andres

    2010-12-01

    The best tools we have for understanding the origin of solar magnetic variability are kinematic dynamo models. During the last decade, this type of models has seen a continuous evolution and has become increasingly successful at reproducing solar cycle characteristics. The basic ingredients of these models are: the solar differential rotation -- which acts as the main source of energy for the system by shearing the magnetic field; the meridional circulation -- which plays a crucial role in magnetic field transport; the turbulent diffusivity -- which attempts to capture the effect of convective turbulence on the large scale magnetic field; and the poloidal field source -- which closes the cycle by regenerating the poloidal magnetic field. However, most of these ingredients remain poorly constrained which allows one to obtain solar-like solutions by "tuning" the input parameters, leading to controversy regarding which parameter set is more appropriate. In this thesis we revisit each of those ingredients in an attempt to constrain them better by using observational data and theoretical considerations, reducing the amount of free parameters in the model. For the meridional flow and differential rotation we use helioseismic data to constrain free parameters and find that the differential rotation is well determined, but the available data can only constrain the latitudinal dependence of the meridional flow. For the turbulent magnetic diffusivity we show that combining mixing-length theory estimates with magnetic quenching allows us to obtain viable magnetic cycles and that the commonly used diffusivity profiles can be understood as a spatiotemporal average of this process. For the poloidal source we introduce a more realistic way of modeling active region emergence and decay and find that this resolves existing discrepancies between kinematic dynamo models and surface flux transport simulations. We also study the physical mechanisms behind the unusually long minimum of cycle 23 and find it to be tied to changes in the meridional flow. Finally, by carefully constraining the system through surface magnetic field observations, we find that what is believed to be the primary source of poloidal field (also known as Babckock-Leigthon mechanism) may not be enough to sustain the solar magnetic cycle.

  20. Free vibrations of a spherical drop constrained at an azimuth

    NASA Astrophysics Data System (ADS)

    Ramalingam, Santhosh; Ramkrishna, Doraiswami; Basaran, Osman A.

    2012-08-01

    Two droplets coupled through a liquid filled (a) hole in a plate or (b) tube is referred to as a double droplet system (DDS) or a capillary switch. Such capillary systems are gaining increasing attention due to their utility in applications. A particularly exciting application is one where a DDS is employed as a liquid lens, one flavor of which entails using a DDS as a variable focus lens by keeping it under sustained oscillations at its natural frequencies. The natural modes of oscillation of a DDS are determined analytically here in the limit in which the plate thickness (or tube length) is vanishingly small and when the effect of gravity is negligible compared to that of surface tension. In this limit, a DDS at rest reduces to two spherical caps that are pinned to and coupled along a common circular ring of contact of negligible thickness. Here, the caps are taken to be complementary pieces of a sphere so that the equilibrium state of the system is a sphere that is constrained by a ring of negligible thickness at an azimuthal angle with respect to the center of the sphere. Both the constrained drop and the fluid exterior to it are taken to be inviscid fluids undergoing irrotational flow. Similar to the linear oscillations of a free drop first studied by Rayleigh, the analytical formulation of the linear oscillations of the constrained drop results in a linear operator eigenvalue problem but with one additional boundary condition, i.e., that which accounts for zero shape perturbation along the circle of contact. Exploiting properties of linear operators, an implicit expression is obtained for the frequency of each mode of oscillation, a feat that appears not to have been accomplished to date in any problem involving oscillations of constrained drops. An extension of a method based on Green's functions that was developed to analyze the linear oscillations of a drop in contact with a spherical bowl [M. Strani and F. Sabetta, "Free-vibrations of a drop in partial contact with a solid support," J. Fluid Mech. 141, 233-247 (1984)], 10.1017/S0022112084000811 is also employed to verify the aforementioned results. Results obtained from these two approaches are then compared to those reported by Bostwick and Steen ["Capillary oscillations of a constrained liquid drop," Phys. Fluids 21, 032108 (2009)], 10.1063/1.3103344. Careful examination of flow fields within drops reveals that by pinning a drop, it should be possible to selectively excite just a portion of a drop's surface.

  1. Prior image constrained image reconstruction in emerging computed tomography applications

    NASA Astrophysics Data System (ADS)

    Brunner, Stephen T.

    Advances have been made in computed tomography (CT), especially in the past five years, by incorporating prior images into the image reconstruction process. In this dissertation, we investigate prior image constrained image reconstruction in three emerging CT applications: dual-energy CT, multi-energy photon-counting CT, and cone-beam CT in image-guided radiation therapy. First, we investigate the application of Prior Image Constrained Compressed Sensing (PICCS) in dual-energy CT, which has been called "one of the hottest research areas in CT." Phantom and animal studies are conducted using a state-of-the-art 64-slice GE Discovery 750 HD CT scanner to investigate the extent to which PICCS can enable radiation dose reduction in material density and virtual monochromatic imaging. Second, we extend the application of PICCS from dual-energy CT to multi-energy photon-counting CT, which has been called "one of the 12 topics in CT to be critical in the next decade." Numerical simulations are conducted to generate multiple energy bin images for a photon-counting CT acquisition and to investigate the extent to which PICCS can enable radiation dose efficiency improvement. Third, we investigate the performance of a newly proposed prior image constrained scatter correction technique to correct scatter-induced shading artifacts in cone-beam CT, which, when used in image-guided radiation therapy procedures, can assist in patient localization, and potentially, dose verification and adaptive radiation therapy. Phantom studies are conducted using a Varian 2100 EX system with an on-board imager to investigate the extent to which the prior image constrained scatter correction technique can mitigate scatter-induced shading artifacts in cone-beam CT. Results show that these prior image constrained image reconstruction techniques can reduce radiation dose in dual-energy CT by 50% in phantom and animal studies in material density and virtual monochromatic imaging, can lead to radiation dose efficiency improvement in multi-energy photon-counting CT, and can mitigate scatter-induced shading artifacts in cone-beam CT in full-fan and half-fan modes.

  2. DNA-fiber EPR study of the orientation of Cu(II) complexes of 1,10-phenanthroline and its derivatives bound to DNA: mono(phenanthroline)-copper(II) and its ternary complexes with amino acids.

    PubMed

    Chikira, Makoto; Tomizawa, Yuji; Fukita, Dai; Sugizaki, Takashi; Sugawara, Norikazu; Yamazaki, Toru; Sasano, Arihiko; Shindo, Heisaburo; Palaniandavar, Mallayan; Antholine, William E

    2002-04-28

    The orientation of mono(1,10-phenanthroline)copper(II), [Cu(phen)]2+, and the ternary complexes with amino acids, [Cu(phen)X(aa)]n+, where X(aa) stands for an alpha-amino acid, has been investigated by electron paramagnetic resonance (EPR) spectra of the complexes on DNA fibers. It has been revealed that these complexes bind to DNA with several different binding modes. The observation of a species whose g axis is almost parallel to the DNA double helical axis has suggested that the phenanthroline moiety intercalates to DNA. An absence of the intercalated species for the corresponding 2,2'-bipyridine complex has shown that the three-fused aromatic rings in phenanthroline are critical for the intercalative binding of the complexes. The intercalative binding was promoted by 5,6-dimethyl groups on the phenanthroline ring, whereas it was disturbed by 2,9-dimethyl groups, indicating that the planarity of the coordination sphere is important for the intercalative binding. In all cases, the amount of the non-intercalated species was larger than that of the intercalated one. The amino acids in the ternary complexes of glycine, leucine, serine, threonine, cysteine, methionine, and asparagine were partly substituted with some coordinating groups in DNA, whereas the ternary complexes of lysine, arginine, and glutamine remained intact on DNA. PMID:12062119

  3. 21 CFR 888.3220 - Finger joint metal/polymer constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Finger joint metal/polymer constrained cemented... metal/polymer constrained cemented prosthesis. (a) Identification. A finger joint metal/polymer..., 1996 for any finger joint metal/polymer constrained cemented prosthesis that was in...

  4. 21 CFR 888.3220 - Finger joint metal/polymer constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Finger joint metal/polymer constrained cemented... metal/polymer constrained cemented prosthesis. (a) Identification. A finger joint metal/polymer..., 1996 for any finger joint metal/polymer constrained cemented prosthesis that was in...

  5. 21 CFR 888.3160 - Elbow joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Elbow joint metal/polymer semi-constrained... Elbow joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An elbow joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  6. 21 CFR 888.3160 - Elbow joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Elbow joint metal/polymer semi-constrained... Elbow joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An elbow joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  7. 21 CFR 888.3110 - Ankle joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Ankle joint metal/polymer semi-constrained... Ankle joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  8. 21 CFR 888.3120 - Ankle joint metal/polymer non-constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Ankle joint metal/polymer non-constrained cemented... metal/polymer non-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer non... December 26, 1996 for any ankle joint metal/polymer non-constrained cemented prosthesis that was...

  9. 21 CFR 888.3110 - Ankle joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Ankle joint metal/polymer semi-constrained... Ankle joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  10. 21 CFR 888.3110 - Ankle joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Ankle joint metal/polymer semi-constrained... Ankle joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  11. 21 CFR 888.3160 - Elbow joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Elbow joint metal/polymer semi-constrained... Elbow joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An elbow joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  12. 21 CFR 888.3220 - Finger joint metal/polymer constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Finger joint metal/polymer constrained cemented... metal/polymer constrained cemented prosthesis. (a) Identification. A finger joint metal/polymer..., 1996 for any finger joint metal/polymer constrained cemented prosthesis that was in...

  13. 21 CFR 888.3120 - Ankle joint metal/polymer non-constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Ankle joint metal/polymer non-constrained cemented... metal/polymer non-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer non... December 26, 1996 for any ankle joint metal/polymer non-constrained cemented prosthesis that was...

  14. 21 CFR 888.3160 - Elbow joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Elbow joint metal/polymer semi-constrained... Elbow joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An elbow joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  15. 21 CFR 888.3120 - Ankle joint metal/polymer non-constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Ankle joint metal/polymer non-constrained cemented... metal/polymer non-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer non... December 26, 1996 for any ankle joint metal/polymer non-constrained cemented prosthesis that was...

  16. 21 CFR 888.3110 - Ankle joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Ankle joint metal/polymer semi-constrained... Ankle joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  17. 21 CFR 888.3120 - Ankle joint metal/polymer non-constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Ankle joint metal/polymer non-constrained cemented... metal/polymer non-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer non... December 26, 1996 for any ankle joint metal/polymer non-constrained cemented prosthesis that was...

  18. 21 CFR 888.3340 - Hip joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Hip joint metal/composite semi-constrained... Hip joint metal/composite semi-constrained cemented prosthesis. (a) Identification. A hip joint metal/composite semi-constrained cemented prosthesis is a two-part device intended to be implanted to replace...

  19. 21 CFR 888.3340 - Hip joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Hip joint metal/composite semi-constrained... Hip joint metal/composite semi-constrained cemented prosthesis. (a) Identification. A hip joint metal/composite semi-constrained cemented prosthesis is a two-part device intended to be implanted to replace...

  20. 21 CFR 888.3340 - Hip joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Hip joint metal/composite semi-constrained... Hip joint metal/composite semi-constrained cemented prosthesis. (a) Identification. A hip joint metal/composite semi-constrained cemented prosthesis is a two-part device intended to be implanted to replace...

  1. 21 CFR 888.3340 - Hip joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Hip joint metal/composite semi-constrained... Hip joint metal/composite semi-constrained cemented prosthesis. (a) Identification. A hip joint metal/composite semi-constrained cemented prosthesis is a two-part device intended to be implanted to replace...

  2. 21 CFR 888.3100 - Ankle joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Ankle joint metal/composite semi-constrained... Ankle joint metal/composite semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/composite semi-constrained cemented prosthesis is a device intended to be implanted to replace...

  3. 21 CFR 888.3100 - Ankle joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Ankle joint metal/composite semi-constrained... Ankle joint metal/composite semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/composite semi-constrained cemented prosthesis is a device intended to be implanted to replace...

  4. 21 CFR 888.3100 - Ankle joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Ankle joint metal/composite semi-constrained... Ankle joint metal/composite semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/composite semi-constrained cemented prosthesis is a device intended to be implanted to replace...

  5. 21 CFR 888.3100 - Ankle joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Ankle joint metal/composite semi-constrained... Ankle joint metal/composite semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/composite semi-constrained cemented prosthesis is a device intended to be implanted to replace...

  6. 21 CFR 888.3120 - Ankle joint metal/polymer non-constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Ankle joint metal/polymer non-constrained cemented... metal/polymer non-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer non... December 26, 1996 for any ankle joint metal/polymer non-constrained cemented prosthesis that was...

  7. 21 CFR 888.3110 - Ankle joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Ankle joint metal/polymer semi-constrained... Ankle joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  8. 21 CFR 888.3160 - Elbow joint metal/polymer semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Elbow joint metal/polymer semi-constrained... Elbow joint metal/polymer semi-constrained cemented prosthesis. (a) Identification. An elbow joint metal/polymer semi-constrained cemented prosthesis is a device intended to be implanted to replace an...

  9. 21 CFR 888.3220 - Finger joint metal/polymer constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Finger joint metal/polymer constrained cemented... metal/polymer constrained cemented prosthesis. (a) Identification. A finger joint metal/polymer..., 1996 for any finger joint metal/polymer constrained cemented prosthesis that was in...

  10. 21 CFR 888.3310 - Hip joint metal/polymer constrained cemented or uncemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Hip joint metal/polymer constrained cemented or... Hip joint metal/polymer constrained cemented or uncemented prosthesis. (a) Identification. A hip joint metal/polymer constrained cemented or uncemented prosthesis is a device intended to be implanted...

  11. 21 CFR 888.3790 - Wrist joint metal constrained cemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Wrist joint metal constrained cemented prosthesis... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3790 Wrist joint metal constrained cemented prosthesis. (a) Identification. A wrist joint metal constrained cemented prosthesis is...

  12. 21 CFR 888.3100 - Ankle joint metal/composite semi-constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Ankle joint metal/composite semi-constrained... Ankle joint metal/composite semi-constrained cemented prosthesis. (a) Identification. An ankle joint metal/composite semi-constrained cemented prosthesis is a device intended to be implanted to replace...

  13. 21 CFR 888.3790 - Wrist joint metal constrained cemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Wrist joint metal constrained cemented prosthesis... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3790 Wrist joint metal constrained cemented prosthesis. (a) Identification. A wrist joint metal constrained cemented prosthesis is...

  14. 21 CFR 888.3200 - Finger joint metal/metal constrained uncemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Finger joint metal/metal constrained uncemented... metal/metal constrained uncemented prosthesis. (a) Identification. A finger joint metal/metal... Administration on or before December 26, 1996 for any finger joint metal/metal constrained uncemented...

  15. 21 CFR 888.3200 - Finger joint metal/metal constrained uncemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Finger joint metal/metal constrained uncemented... metal/metal constrained uncemented prosthesis. (a) Identification. A finger joint metal/metal... Administration on or before December 26, 1996 for any finger joint metal/metal constrained uncemented...

  16. 21 CFR 888.3790 - Wrist joint metal constrained cemented prosthesis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Wrist joint metal constrained cemented prosthesis... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3790 Wrist joint metal constrained cemented prosthesis. (a) Identification. A wrist joint metal constrained cemented prosthesis is...

  17. 21 CFR 888.3790 - Wrist joint metal constrained cemented prosthesis.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Wrist joint metal constrained cemented prosthesis... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3790 Wrist joint metal constrained cemented prosthesis. (a) Identification. A wrist joint metal constrained cemented prosthesis is...

  18. 21 CFR 888.3790 - Wrist joint metal constrained cemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Wrist joint metal constrained cemented prosthesis... SERVICES (CONTINUED) MEDICAL DEVICES ORTHOPEDIC DEVICES Prosthetic Devices § 888.3790 Wrist joint metal constrained cemented prosthesis. (a) Identification. A wrist joint metal constrained cemented prosthesis is...

  19. 21 CFR 888.3200 - Finger joint metal/metal constrained uncemented prosthesis.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Finger joint metal/metal constrained uncemented... metal/metal constrained uncemented prosthesis. (a) Identification. A finger joint metal/metal... Administration on or before December 26, 1996 for any finger joint metal/metal constrained uncemented...

  20. 21 CFR 888.3200 - Finger joint metal/metal constrained uncemented prosthesis.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Finger joint metal/metal constrained uncemented... metal/metal constrained uncemented prosthesis. (a) Identification. A finger joint metal/metal... Administration on or before December 26, 1996 for any finger joint metal/metal constrained uncemented...

  1. 21 CFR 888.3200 - Finger joint metal/metal constrained uncemented prosthesis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Finger joint metal/metal constrained uncemented... metal/metal constrained uncemented prosthesis. (a) Identification. A finger joint metal/metal... Administration on or before December 26, 1996 for any finger joint metal/metal constrained uncemented...

  2. Acid Rain

    MedlinePLUS

    ... damaging to lakes, streams, and forests and the plants and animals that live in these ecosystems. This Web site provides information about the following: What causes acid rain The effects of acid rain How we measure acid rain ...

  3. Aspartic acid

    MedlinePLUS

    ... also called asparaginic acid. Aspartic acid helps every cell in the body work. It plays a role in: Hormone production and release Normal nervous system function Plant sources of aspartic acid include: Legumes such as ...

  4. Folic Acid

    MedlinePLUS

    Folic acid is used to treat or prevent folic acid deficiency. It is a B-complex vitamin needed by ... Folic acid comes in tablets. It usually is taken once a day. Follow the directions on your prescription label ...

  5. Folic Acid

    MedlinePLUS

    Folic acid is a B vitamin. It helps the body make healthy new cells. Everyone needs folic acid. For women who may get pregnant, it is really important. Getting enough folic acid before and during pregnancy can prevent major birth ...

  6. Constrained dynamics approach for motion synchronization and consensus

    NASA Astrophysics Data System (ADS)

    Bhatia, Divya

    In this research we propose to develop constrained dynamical systems based stable attitude synchronization, consensus and tracking (SCT) control laws for the formation of rigid bodies. The generalized constrained dynamics Equations of Motion (EOM) are developed utilizing constraint potential energy functions that enforce communication constraints. Euler-Lagrange equations are employed to develop the non-linear constrained dynamics of multiple vehicle systems. The constraint potential energy is synthesized based on a graph theoretic formulation of the vehicle-vehicle communication. Constraint stabilization is achieved via Baumgarte's method. The performance of these constrained dynamics based formations is evaluated for bounded control authority. The above method has been applied to various cases and the results have been obtained using MATLAB simulations showing stability, synchronization, consensus and tracking of formations. The first case corresponds to an N-pendulum formation without external disturbances, in which the springs and the dampers connected between the pendulums act as the communication constraints. The damper helps in stabilizing the system by damping the motion whereas the spring acts as a communication link relaying relative position information between two connected pendulums. Lyapunov stabilization (energy based stabilization) technique is employed to depict the attitude stabilization and boundedness. Various scenarios involving different values of springs and dampers are simulated and studied. Motivated by the first case study, we study the formation of N 2-link robotic manipulators. The governing EOM for this system is derived using Euler-Lagrange equations. A generalized set of communication constraints are developed for this system using graph theory. The constraints are stabilized using Baumgarte's techniques. The attitude SCT is established for this system and the results are shown for the special case of three 2-link robotic manipulators. These methods are then applied to the formation of N-spacecraft. Modified Rodrigues Parameters (MRP) are used for attitude representation of the spacecraft because of their advantage of being a minimum parameter representation. Constrained non-linear equations of motion for this system are developed and stabilized using a Proportional-Derivative (PD) controller derived based on Baumgarte's method. A system of 3 spacecraft is simulated and the results for SCT are shown and analyzed. Another problem studied in this research is that of maintaining SCT under unknown external disturbances. We use an adaptive control algorithm to derive control laws for the actuator torques and develop an estimation law for the unknown disturbance parameters to achieve SCT. The estimate of the disturbance is added as a feed forward term in the actual control law to obtain the stabilization of a 3-spacecraft formation. The disturbance estimates are generated via a Lyapunov analysis of the closed loop system. In summary, the constrained dynamics method shows a lot of potential in formation control, achieving stabilization, synchronization, consensus and tracking of a set of dynamical systems.

  7. Bound constrained bundle adjustment for reliable 3D reconstruction.

    PubMed

    Gong, Yuanzheng; Meng, De; Seibel, Eric J

    2015-04-20

    Bundle adjustment (BA) is a common estimation algorithm that is widely used in machine vision as the last step in a feature-based three-dimensional (3D) reconstruction algorithm. BA is essentially a non-convex non-linear least-square problem that can simultaneously solve the 3D coordinates of all the feature points describing the scene geometry, as well as the parameters of the camera. The conventional BA takes a parameter either as a fixed value or as an unconstrained variable based on whether the parameter is known or not. In cases where the known parameters are inaccurate but constrained in a range, conventional BA results in an incorrect 3D reconstruction by using these parameters as fixed values. On the other hand, these inaccurate parameters can be treated as unknown variables, but this does not exploit the knowledge of the constraints, and the resulting reconstruction can be erroneous since the BA optimization halts at a dramatically incorrect local minimum due to its non-convexity. In many practical 3D reconstruction applications, unknown variables with range constraints are usually available, such as a measurement with a range of uncertainty or a bounded estimate. Thus to better utilize these pre-known, constrained, but inaccurate parameters, a bound constrained bundle adjustment (BCBA) algorithm is proposed, developed and tested in this study. A scanning fiber endoscope (the camera) is used to capture a sequence of images above a surgery phantom (the object) of known geometry. 3D virtual models are reconstructed based on these images and then compared with the ground truth. The experimental results demonstrate BCBA can achieve a more reliable, rapid, and accurate 3D reconstruction than conventional bundle adjustment. PMID:25969115

  8. Constraining a Possible Variation of G with Type Ia Supernovae

    NASA Astrophysics Data System (ADS)

    Mould, Jeremy; Uddin, Syed A.

    2014-03-01

    Astrophysical cosmology constrains the variation of Newton's Constant in a manner complementary to laboratory experiments, such as the celebrated lunar laser ranging campaign. Supernova cosmology is an example of the former and has attained campaign status, following planning by a Dark Energy Task Force in 2005. In this paper, we employ the full SNIa data set to the end of 2013 to set a limit on G variation. In our approach, we adopt the standard candle delineation of the redshift distance relation. We set an upper limit on its rate of change |dot{G}/G| of 0.1 parts per billion per year over 9 Gyrs. By contrast, lunar laser ranging tests variation of G over the last few decades. Conversely, one may adopt the laboratory result as a prior and constrain the effect of variable G in dark energy equation of state experiments to δw < 0.02. We also examine the parameterisation G 1 + z. Its short expansion age conflicts with the measured values of the expansion rate and the density in a flat Universe. In conclusion, supernova cosmology complements other experiments in limiting G variation. An important caveat is that it rests on the assumption that the same mass of 56Ni is burned to create the standard candle regardless of redshift. These two quantities, f and G, where f is the Chandrasekhar mass fraction burned, are degenerate. Constraining f variation alone requires more understanding of the SNIa mechanism.

  9. Constraining the Endogenic Power of Enceladus' Tiger Stripe Region

    NASA Astrophysics Data System (ADS)

    Howett, C. J.; Spencer, J. R.; Pearl, P. C.; Segura, M.; Cirs Cassini Team

    2008-12-01

    On 12th March 2008, and again on 11th August 2008, the Cassini spacecraft flew past the South Pole of Enceladus at a distance of a few hundred kilometers. During both encounters the long-wavelength detector (FP1) on Cassini's Composite Infrared Spectrometer (CIRS) took over one hundred 10 to 600 cm-1 (1000 - 17 micron) spectra of the thermal emission from the active tiger stripes. The wavelength region covered by FP1 contains most of the power radiated by the tiger stripes and thus is very valuable for constraining total heat flow. Previous estimates of endogenic heat flow were derived by extrapolation from shorter-wavelength CIRS data. During the August encounter FP1 achieved a maximum resolution of 3 km, over the tiger stripe Arabia Sulcus. Whilst the best spatial resolution during the March encounter was significantly lower (50 km to 200 km) a larger number of spectra were taken, covering single or multiple tiger stripes. Using these measurements and previously determined surface thermal properties of Enceladus the total magnitude of the endogenic power from this region is constrained. An important part of this process is the subtraction of the background emission from re-radiated sunlight, using a passive thermal model, which is constrained by CIRS FP1 observations that do not include the tiger stripes. The good spatial coverage of the tiger stripes has enabled the endogenic heat released by individual tiger stripes to also be determined. It is shown that the release of this heat by the tiger stripes is not uniform, but rather varies between stripes and along the stripes. The magnitude and scale of this variation will be fully explored.

  10. Freezing Transition Studies Through Constrained Cell Model Simulation

    NASA Astrophysics Data System (ADS)

    Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

    2014-10-01

    In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.

  11. Hex-dominant mesh generation using 3D constrained triangulation

    SciTech Connect

    OWEN,STEVEN J.

    2000-05-30

    A method for decomposing a volume with a prescribed quadrilateral surface mesh, into a hexahedral-dominated mesh is proposed. With this method, known as Hex-Morphing (H-Morph), an initial tetrahedral mesh is provided. Tetrahedral are transformed and combined starting from the boundary and working towards the interior of the volume. The quadrilateral faces of the hexahedra are treated as internal surfaces, which can be recovered using constrained triangulation techniques. Implementation details of the edge and face recovery process are included. Examples and performance of the H-Morph algorithm are also presented.

  12. Bridled ambition: Why countries constrain their nuclear capabilities

    SciTech Connect

    Reiss, M.

    1995-12-31

    Reiss worked for the National Security Council on nonproliferation issues and thus brings a wealth of inside information to this study. Reiss examines nine countries that have voluntarily constrained, frozen, or eliminated their nuclear weapons programs. These counties are South Africa, Argentina, Brazil, Belarus, Kazakhstan, Ukraine, India, Pakistan, and North Korea. Reiss has added an important contribution to the research of nuclear nonproliferation and shown us that occasionally deproliferation is a viable policy option. At a time when nuclear proliferation is becoming an increasingly ominous threat to global stability, Mitchell Reiss`s book provides the much-needed perspective. Thoroughly researched, systematic and probing in analysis, and significant in its conclusions.

  13. Constraining portals with displaced Higgs decay searches at the LHC

    NASA Astrophysics Data System (ADS)

    Clarke, Jackson D.

    2015-10-01

    It is very easy to write down models in which long-lived particles decaying to standard model states are pair-produced via Higgs decays, resulting in the signature of approximately back-to-back pairs of displaced narrow hadronic jets and/or lepton jets at the LHC. The LHC collaborations have already searched for such signatures with no observed excess. This paper describes a Monte Carlo method to reinterpret the searches. The method relies on (ideally multidimensional) efficiency tables, thus we implore collaborations to include them in any future work. Exclusion regions in mixing-mass parameter space are presented which constrain portal models.

  14. Wave front shape for a constrained cylindrically anisotropic elastic solid

    NASA Astrophysics Data System (ADS)

    Payton, Robert G.; Watanabe, Kazumi

    The two-dimensional wave front shape caused by a point impulse excitation in a cylindrically anisotropic elastic solid is considered. The elastic parameters of the solid are constrained such that E?? = G This constraint allows the parametric equations of the wave front to be expressed exactly in terms of elementary transcendental functions. The precise location of double and cusp points on the front is treated in detail. Time histories of several wave front patterns are presented and an interesting feature of the front is generalized to the unconstrained solid.

  15. Constraining modified gravitational theories by weak lensing with Euclid

    SciTech Connect

    Martinelli, Matteo; Calabrese, Erminia; De Bernardis, Francesco; Melchiorri, Alessandro; Pagano, Luca; Scaramella, Roberto

    2011-01-15

    Future proposed satellite missions such as Euclid can offer the opportunity to test general relativity on cosmic scales through mapping of the galaxy weak-lensing signal. In this paper we forecast the ability of these experiments to constrain modified gravity scenarios such as those predicted by scalar-tensor and f(R) theories. We find that Euclid will improve constraints expected from the Planck satellite on these modified theories of gravity by 2 orders of magnitude. We discuss parameter degeneracies and the possible biases introduced by modifications to gravity.

  16. Impact localization and identification under a constrained optimization scheme

    NASA Astrophysics Data System (ADS)

    Li, Qiaofeng; Lu, Qiuhai

    2016-03-01

    Load identification becomes essential when direct measurement of structure loads is unavailable. In this paper, a method for localization and identification of impact is proposed. The location of impact is first determined with an error functional indicator using the Complex Method. The identification of impact history is then considered a constrained optimization problem. The solution of the problem is found using Gradient Projection Method. Both numerical and experiment results proved the validity of the proposed method. The identification process is faster and more robust with the techniques introduced. Further discussion and advice for implementation are also provided.

  17. Completing constrained flavor violation: Lepton masses, neutrinos, and leptogenesis

    NASA Astrophysics Data System (ADS)

    Cline, James M.; Díaz-Furlong, Alfonso; Ren, Jing

    2016-02-01

    Constrained flavor violation (CFV) is a recent proposal for predicting the down-quark Yukawa matrix in terms of those for up quarks and charged leptons. We study the viability of CFV with respect to its predictions for the lepton mass ratios, showing that this remains a challenge, and suggest some possible means for improving this shortcoming. We then extend CFV to include neutrinos, and show that it leads to interesting predictions for hierachical heavy neutrinos, and leptogenesis dominated by decays of the second heaviest one ("N2 leptogenesis"), as well as the possibility of low-scale leptoquark-mediated exotic decays.

  18. Two loop divergences studied with one loop constrained differential renormalization

    SciTech Connect

    Seijas, Cesar . E-mail: cesar@fpaxp1.usc.es

    2007-08-15

    In the context of differential renormalization, using constrained differential renormalization rules at one-loop, we show how to obtain concrete results in two-loop calculations without making use of Ward identities. In order to do that, we obtain a list of integrals with overlapping divergences compatible with CDR that can be applied to various two-loop background field calculations. As an example, we obtain the two-loop coefficient of the beta function of QED, SuperQED and Yang-Mills theory.

  19. Adaptively Learning an Importance Function Using Transport Constrained Monte Carlo

    SciTech Connect

    Booth, T.E.

    1998-06-22

    It is well known that a Monte Carlo estimate can be obtained with zero-variance if an exact importance function for the estimate is known. There are many ways that one might iteratively seek to obtain an ever more exact importance function. This paper describes a method that has obtained ever more exact importance functions that empirically produce an error that is dropping exponentially with computer time. The method described herein constrains the importance function to satisfy the (adjoint) Boltzmann transport equation. This constraint is provided by using the known form of the solution, usually referred to as the Case eigenfunction solution.

  20. Constraining axion dark matter with Big Bang Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Blum, Kfir; D'Agnolo, Raffaele Tito; Lisanti, Mariangela; Safdi, Benjamin R.

    2014-10-01

    We show that Big Bang Nucleosynthesis (BBN) significantly constrains axion-like dark matter. The axion acts like an oscillating QCD ? angle that redshifts in the early Universe, increasing the neutron-proton mass difference at neutron freeze-out. An axion-like particle that couples too strongly to QCD results in the underproduction of 4He during BBN and is thus excluded. The BBN bound overlaps with much of the parameter space that would be covered by proposed searches for a time-varying neutron EDM. The QCD axion does not couple strongly enough to affect BBN.

  1. Constraining the characteristics of tsunami waves from deformable submarine slides

    NASA Astrophysics Data System (ADS)

    Weiss, R.; Krastel, S.; Anasetti, A.; Wuennemann, K.

    2012-12-01

    As a marine hazard, submarine slope failures have the potential to directly destroy offshore infrastructure, and, if a tsunami is generated, it also endangers the life of those who live and work at the coastline. The hazard and risk from tsunamis generated by submarine mass failure is difficult to quantify and evaluate due to difficulties to estimate the time of trigger for submarine slide bodies, and the problems to constrain the characteristics of the triggered submarine landslide. The missing age constraint and the unconstrained tsunami-wave characteristics generate unquantifiable uncertainties in hazard assessments. To lower the uncertainty from the unconstrained tsunami-characteristic, we present a method that determines material parameters for the slide body to constrain the generated tsunami waves with an iterative method. Our method employs the mapped distribution of landslide run-out masses and their comparison with simulations. It assumes that the slide material can be approximated by bulk values during the slide motion. The free parameter that will be changed during in iterations is the viscosity of the slide body. The goal of the procedure is to find the optimal viscosity, which represents the viscosity for which the slide body matches well with the mapped slide run-out masses. The tsunami waves generated in the simulations employing the optimal viscosity are then considered constrained within the framework of our work. While we understand that viscosity does not accurately describe the dynamics of the slide body, we argue that viscosity can be employed as a first-order approximation to constrain the tsunami wave characteristics. To demonstrate our method, we make use of Valdes slide run-out masses off the Chilean coast. We show the difference in tsunami characteristics for slides whose viscosity is too low, too high and optimal. Furthermore, we will present an overview on how these differences result in dramatically different wave amplitudes as functions of the distance to the landslide-trigger area in general and for the Chilean coast due to the Valdes slide.

  2. Noise Constrained Data-Reusing Adaptive Algorithms for System Identification

    NASA Astrophysics Data System (ADS)

    Choi, Young-Seok; Song, Woo-Jin

    We present a new framework of the data-reusing (DR) adaptive algorithms by incorporating a constraint on noise, referred to as a noise constraint. The motivation behind this work is that the use of the statistical knowledge of the channel noise can contribute toward improving the convergence performance of an adaptive filter in identifying a noisy linear finite impulse response (FIR) channel. By incorporating the noise constraint into the cost function of the DR adaptive algorithms, the noise constrained DR (NC-DR) adaptive algorithms are derived. Experimental results clearly indicate their superior performance over the conventional DR ones.

  3. Constrained Task Assignment and Scheduling On Networks of Arbitrary Topology

    NASA Astrophysics Data System (ADS)

    Jackson, Justin Patrick

    This dissertation develops a framework to address centralized and distributed constrained task assignment and task scheduling problems. This framework is used to prove properties of these problems that can be exploited, develop effective solution algorithms, and to prove important properties such as correctness, completeness and optimality. The centralized task assignment and task scheduling problem treated here is expressed as a vehicle routing problem with the goal of optimizing mission time subject to mission constraints on task precedence and agent capability. The algorithm developed to solve this problem is able to coordinate vehicle (agent) timing for task completion. This class of problems is NP-hard and analytical guarantees on solution quality are often unavailable. This dissertation develops a technique for determining solution quality that can be used on a large class of problems and does not rely on traditional analytical guarantees. For distributed problems several agents must communicate to collectively solve a distributed task assignment and task scheduling problem. The distributed task assignment and task scheduling algorithms developed here allow for the optimization of constrained military missions in situations where the communication network may be incomplete and only locally known. Two problems are developed. The distributed task assignment problem incorporates communication constraints that must be satisfied; this is the Communication-Constrained Distributed Assignment Problem. A novel distributed assignment algorithm, the Stochastic Bidding Algorithm, solves this problem. The algorithm is correct, probabilistically complete, and has linear average-case time complexity. The distributed task scheduling problem addressed here is to minimize mission time subject to arbitrary predicate mission constraints; this is the Minimum-time Arbitrarily-constrained Distributed Scheduling Problem. The Optimal Distributed Non-sequential Backtracking Algorithm solves this problem. The algorithm is correct, complete, outputs time optimal schedules, and has low average-case time complexity. Separation of the task assignment and task scheduling problems is exploited here to ameliorate the effects of an incomplete communication network. The mission-modeling conditions that allow this and the benefits gained are discussed in detail. It is shown that the distributed task assignment and task scheduling algorithms developed here can operate concurrently and maintain their correctness, completeness, and optimality properties.

  4. Hierarchically Parallelized Constrained Nonlinear Solvers with Automated Substructuring

    NASA Technical Reports Server (NTRS)

    Padovan, Joe; Kwang, Abel

    1994-01-01

    This paper develops a parallelizable multilevel multiple constrained nonlinear equation solver. The substructuring process is automated to yield appropriately balanced partitioning of each succeeding level. Due to the generality of the procedure,_sequential, as well as partially and fully parallel environments can be handled. This includes both single and multiprocessor assignment per individual partition. Several benchmark examples are presented. These illustrate the robustness of the procedure as well as its capability to yield significant reductions in memory utilization and calculational effort due both to updating and inversion.

  5. LSTSQ: a module for reliable constrained and unconstrained nonlinear regression.

    PubMed

    Crmenes, R S

    1991-07-01

    A software module for nonlinear regression analysis, based on the reliable Meyer-Roth algorithm (a modified damped least square algorithm), is presented. It allows both constrained and unconstrained optimization, and the use of a variety of weighting methods. Virtually any nonlinear function can be fitted, including those with several nondependent variables. The package has been thoroughly tested, and is available in several common computer languages (Pascal, Modula-2 and C). It is easy to use, and advanced knowledge of mathematics or computers is not essential. Standard test problems, and a fully working example of use on enzyme kinetics are included. PMID:1913220

  6. Conformationally Constrained Histidines in the Design of Peptidomimetics: Strategies for the χ-Space Control

    PubMed Central

    Stefanucci, Azzurra; Pinnen, Francesco; Feliciani, Federica; Cacciatore, Ivana; Lucente, Gino; Mollica, Adriano

    2011-01-01

    A successful design of peptidomimetics must come to terms with χ-space control. The incorporation of χ-space constrained amino acids into bioactive peptides renders the χ1 and χ2 torsional angles of pharmacophore amino acids critical for activity and selectivity as with other relevant structural features of the template. This review describes histidine analogues characterized by replacement of native α and/or β-hydrogen atoms with alkyl substituents as well as analogues with α, β-didehydro unsaturation or Cα-Cβ cyclopropane insertion (ACC derivatives). Attention is also dedicated to the relevant field of β-aminoacid chemistry by describing the synthesis of β2- and β3-models (β-hHis). Structural modifications leading to cyclic imino derivatives such as spinacine, aza-histidine and analogues with shortening or elongation of the native side chain (nor-histidine and homo-histidine, respectively) are also described. Examples of the use of the described analogues to replace native histidine in bioactive peptides are also given. PMID:21686155

  7. Conformationally constrained peptidomimetic inhibitors of signal transducer and activator of transcription. 3: Evaluation and molecular modeling.

    PubMed

    Mandal, Pijus K; Limbrick, Donald; Coleman, David R; Dyer, Garrett A; Ren, Zhiyong; Birtwistle, J Sanderson; Xiong, Chiyi; Chen, Xiaomin; Briggs, James M; McMurray, John S

    2009-04-23

    Signal transducer and activator of transcription 3 (Stat3) is involved in aberrant growth and survival signals in malignant tumor cells and is a validated target for anticancer drug design. We are targeting its SH2 domain to prevent docking to cytokine and growth factor receptors and subsequent signaling. The amino acids of our lead phosphopeptide, Ac-pTyr-Leu-Pro-Gln-Thr-Val-NH(2), were replaced with conformationally constrained mimics. Structure-affinity studies led to the peptidomimetic, pCinn-Haic-Gln-NHBn (21), which had an IC(50) of 162 nM (fluorescence polarization), compared to 290 nM for the lead phosphopeptide (pCinn = 4-phosphoryloxycinnamate, Haic = (2S,5S)-5-amino-1,2,4,5,6,7-hexahydro-4-oxo-azepino[3,2,1-hi]indole-2-carboxylic acid). pCinn-Haic-Gln-OH was docked to the SH2 domain (AUTODOCK), and the two highest populated clusters were subjected to molecular dynamics simulations. Both converged to a common peptide conformation. The complex exhibits unique hydrogen bonding between Haic and Gln and Stat3 as well as hydrophobic interactions between the protein and pCinn and Haic. PMID:19334714

  8. Effect of structurally constrained oxime-ether linker on PPAR subtype selectivity: Discovery of a novel and potent series of PPAR-pan agonists.

    PubMed

    Makadia, Pankaj; Shah, Shailesh R; Pingali, Harikishore; Zaware, Pandurang; Patel, Darshit; Pola, Suresh; Thube, Baban; Priyadarshini, Priyanka; Suthar, Dinesh; Shah, Maanan; Giri, Suresh; Trivedi, Chitrang; Jain, Mukul; Patel, Pankaj; Bahekar, Rajesh

    2011-01-15

    A novel series of thaizole and oxazole containing phenoxy acetic acid derivatives is reported as PPAR-pan agonists. Incorporation of structurally constrained oxime-ether based linker in the chemotype of a potent PPARδ selective agonist GW-501516 was adapted as designing strategy. In vitro, selected test compounds 12a, 12c, 17a and 18a showed PPAR-pan agonists activities and among these four compounds tested, 12a emerged as highly potent and efficacious compound, while 17a exhibited moderate and balanced PPAR-pan agonistic activity. In vivo, selected test compounds 12a and 17a exhibited significant anti-hyperglycemic and anti-hyperlipidemic activities in relevant animal models. These results support our hypothesis that the introduction of structurally constrained oxime-ether linker between lipophilic tail and acidic head plays an important role in modulating subtype selectivity and subsequently led to the discovery of potent PPAR-pan agonists. PMID:21215640

  9. Responses of solitary retinal horizontal cells from Carassius auratus to L-glutamate and related amino acids.

    PubMed Central

    Ishida, A T; Kaneko, A; Tachibana, M

    1984-01-01

    Effects of L-glutamate and its analogues on membrane potentials of solitary horizontal cells were studied by intracellular recording. L-glutamate depolarized these cells at micromolar concentrations (greater than or equal to 10 microM), while D-glutamate and L-alpha-amino adipic acid produced slight depolarizations only at millimolar concentrations. Neither L- nor D-aspartate, even at millimolar doses, produced any change in solitary horizontal-cell resting potential. Solitary horizontal-cell responses to L-glutamate did not desensitize detectably. Responses to pairs of brief, ionophoretic pulses of L-glutamate were nearly equal in amplitude at inter-pulse intervals as short as 50 ms. Responses to maintained applications of low doses of L-glutamate did not decline for as long as 2 min. Depolarizing responses were produced by ionophoretic applications of L-glutamate near cell somata as well as dendrites. The mean sensitivity was 1.4 +/- 1.5 mV/nC with a maximum of 5.1 mV/nC. Depolarizing responses to L-glutamate reversed in polarity at membrane potentials between 0 and -20 mV, were accompanied by a decrease in membrane slope resistance, and were suppressed by replacement of extracellular sodium ions with choline. These results demonstrate that chemosensitivity of retinal horizontal cells to acidic amino acids persists after dissociation protocols, and in several respects resembles that found in horizontal cells in situ. These findings are consistent with the notion that retinal horizontal cells receive a synaptic input involving L-glutamate or a similar substance. PMID:6143822

  10. Size effects in the constrained deformation of metallic foams

    NASA Astrophysics Data System (ADS)

    Chen, C.; Fleck, N. A.

    2002-05-01

    The constrained deformation of an aluminium alloy foam sandwiched between steel substrates has been investigated. The sandwich plates are subjected to through-thickness shear and normal loading, and it is found that the face sheets constrain the foam against plastic deformation and result in a size effect: the yield strength increases with diminishing thickness of foam layer. The strain distribution across the foam core has been measured by a visual strain mapping technique, and a boundary layer of reduced straining was observed adjacent to the face sheets. The deformation response of the aluminium foam layer was modelled by the elastic-plastic finite element analysis of regular and irregular two dimensional honeycombs, bonded to rigid face sheets; in the simulations, the rotation of the boundary nodes of the cell-wall beam elements was set to zero to simulate full constraint from the rigid face sheets. It is found that the regular honeycomb under-estimates the size effect whereas the irregular honeycomb provides a faithful representation of both the observed size effect and the observed strain profile through the foam layer. Additionally, a compressible version of the Fleck-Hutchinson strain gradient theory was used to predict the size effect; by identifying the cell edge length as the relevant microstructural length scale the strain gradient model is able to reproduce the observed strain profiles across the layer and the thickness dependence of strength.

  11. Small Molecule Activation by Constrained Phosphorus Compounds: Insights from Theory.

    PubMed

    Pal, Amrita; Vanka, Kumar

    2016-01-19

    An exciting new development in main group chemistry has been the use of a constrained, "flat", phosphorus-based complex to mediate in reactions such as the dehydrogenation of ammonia borane (AB), and the activation of the N-H bond in primary amines. Its importance is based on the fact that it shows that main group compounds, when properly designed, can be as effective as transition metal complexes for doing significant chemical transformations. What the current computational study, employing density functional theory (DFT), reveals is that a common, general mechanism exists that accounts for the behavior of the flat phosphorus compound in the different reactions that have been experimentally reported to date. This mechanism, which involves the mediation by a base as a proton transfer agent, is simpler and energetically more favorable than the previous mechanisms that have been proposed for the same reactions in the literature. It is likely that the knowledge gained from the current work about the chemical behavior of this phosphorus compound can be utilized to design new constrained phosphorus-based compounds. PMID:26700074

  12. Testing for Genetic Association With Constrained Models Using Triads

    PubMed Central

    Troendle, James F.; Yu, Kai F.; Mills, James L.

    2009-01-01

    Wang and Sheffield (2005) showed that it is preferable to use a robust model that incorporated constraints on the genotype relative risk rather than rely on a model that assumes the disease operates in a recessive or dominant fashion. Wang and Sheffields method is applicable to case-control studies, but not to family based studies of case children along with their parents (triads). We show here how to implement analogous constraints while analyzing triad data. The likelihood, conditional on the parents genotype, is maximized over the appropriately constrained parameter space. The asymptotic distribution for the maximized likelihood ratio statistic is found and used to estimate the null distribution of the test statistics. The properties of several methods of testing for association are compared by simulation. The constrained method provides higher power across a wide range of genetic models with little cost when compared to methods that restrict to a dominant, recessive, or multiplicative model, or make no modeling restriction. The methods are applied to two SNPs on the methylenetetrahy-drofolate reductase (MTHFR) gene with neural tube defect (NTD) triads. PMID:19178434

  13. Constraining dark sector perturbations I: cosmic shear and CMB lensing

    NASA Astrophysics Data System (ADS)

    Battye, Richard A.; Moss, Adam; Pearson, Jonathan A.

    2015-04-01

    We present current and future constraints on equations of state for dark sector perturbations. The equations of state considered are those corresponding to a generalized scalar field model and time-diffeomorphism invariant Script L(g) theories that are equivalent to models of a relativistic elastic medium and also Lorentz violating massive gravity. We develop a theoretical understanding of the observable impact of these models. In order to constrain these models we use CMB temperature data from Planck, BAO measurements, CMB lensing data from Planck and the South Pole Telescope, and weak galaxy lensing data from CFHTLenS. We find non-trivial exclusions on the range of parameters, although the data remains compatible with w=-1. We gauge how future experiments will help to constrain the parameters. This is done via a likelihood analysis for CMB experiments such as CoRE and PRISM, and tomographic galaxy weak lensing surveys, focussing in on the potential discriminatory power of Euclid on mildly non-linear scales.

  14. Maximum Constrained Directivity of Oversteered End-Fire Sensor Arrays

    PubMed Central

    Trucco, Andrea; Traverso, Federico; Crocco, Marco

    2015-01-01

    For linear arrays with fixed steering and an inter-element spacing smaller than one half of the wavelength, end-fire steering of a data-independent beamformer offers better directivity than broadside steering. The introduction of a lower bound on the white noise gain ensures the necessary robustness against random array errors and sensor mismatches. However, the optimum broadside performance can be obtained using a simple processing architecture, whereas the optimum end-fire performance requires a more complicated system (because complex weight coefficients are needed). In this paper, we reconsider the oversteering technique as a possible way to simplify the processing architecture of equally spaced end-fire arrays. We propose a method for computing the amount of oversteering and the related real-valued weight vector that allows the constrained directivity to be maximized for a given inter-element spacing. Moreover, we verify that the maximized oversteering performance is very close to the optimum end-fire performance. We conclude that optimized oversteering is a viable method for designing end-fire arrays that have better constrained directivity than broadside arrays but with a similar implementation complexity. A numerical simulation is used to perform a statistical analysis, which confirms that the maximized oversteering performance is robust against sensor mismatches. PMID:26066987

  15. Weak gravity strongly constrains large-field axion inflation

    NASA Astrophysics Data System (ADS)

    Heidenreich, Ben; Reece, Matthew; Rudelius, Tom

    2015-12-01

    Models of large-field inflation based on axion-like fields with shift symmetries can be simple and natural, and make a promising prediction of detectable primordial gravitational waves. The Weak Gravity Conjecture is known to constrain the simplest case in which a single compact axion descends from a gauge field in an extra dimension. We argue that the Weak Gravity Conjecture also constrains a variety of theories of multiple compact axions including N-flation and some alignment models. We show that other alignment models entail surprising consequences for how the mass spectrum of the theory varies across the axion moduli space, and hence can be excluded if further conjectures hold. In every case that we consider, plausible assumptions lead to field ranges that cannot be parametrically larger than M Pl. Our results are strongly suggestive of a general inconsistency in models of large-field inflation based on compact axions, and possibly of a more general principle forbidding super-Planckian field ranges.

  16. On the flow behavior of constrained ductile phases

    SciTech Connect

    Xiao, L.; Abbaschian, R. )

    1993-02-01

    Effects of the matrix/reinforcement interface and the mechanical properties and size of the ductile reinforcement on the flow behavior of the constrained ductile reinforcement have been evaluated using a tensile test on a single Nb lamina imbedded in MoSi[sub 2] matrix. It was found that work of rupture of the ductile reinforcement increased with size of the ductile reinforcement and with decreasing fracture energy of the matrix/reinforcement interface. It was also found that the work of rupture normalized by size and yield strength of the reinforcement was dependent on the interfacial properties and size of the reinforcement. Based on the observation, an analytical model is developed which gives insight into the influence on the stress-displacement curve of yield strength, work hardening, fracture energy of matrix/reinforcement interface, and size of the reinforcement. A characteristic decohesion length, which is a function of size of the reinforcement, has been identified by the model and related to the measured decohesion length. The results allow the extrapolation of the work of rupture measured from the large size of constrained ductile phases to the small size of the ductile phases. As the reinforcements used in composites are usually smaller in size than those tested in such tensile tests, the extrapolation of the work of rupture allows the contribution of ductile reinforcements to the toughness of a brittle matrix composite to be calculated.

  17. Evaluating competing forces constraining glacial grounding-line stability (Invited)

    NASA Astrophysics Data System (ADS)

    Powell, R. D.

    2013-12-01

    Stability of grounding lines of marine-terminating glaciers and ice sheets is of concern due to their importance in governing rates of ice mass loss and consequent sea level rise during global warming. Although processes are similar at tidewater and floating grounding zones their relative magnitudes in terms of their influence on grounding-line stability vary between these two end members. Processes considered Important for this discussion are ice dynamics, ice surface melting and crevassing, ocean dynamics, subglacial sediment and water dynamics, and subglacial bed geometries. Models have continued to improve in their representation of these complex interactions but reliable field measurements and data continue to be hard earned and too few to properly constrain the range of boundary conditions in this complicated system. Some data will be presented covering a range of regimes from Alaska, Svalbard and Antarctica. Certainly more data are required on subglacial sediment/water dynamics and fluxes to fully represent the spectrum of glacial regimes and to assess the significance of grounding-zone sediment systems in counteracting the other processes to force grounding-line stability. Especially important here is constraining the duration of the stability that could be maintained by sediment flux - present data appear to show that it is likely to be a limited period.

  18. Understanding (sessile/constrained) bubble and drop oscillations.

    PubMed

    Milne, A J B; Defez, B; Cabrerizo-Vlchez, M; Amirfazli, A

    2014-01-01

    The diffuse literature on drop oscillation is reviewed, with an emphasis on capillary wave oscillations of constrained drops. Based on the review, a unifying conceptual framework is presented for drop and bubble oscillations, which considers free and constrained drops/bubbles, oscillation of the surface or the bulk (i.e. center of mass) of the drop/bubble, as well as different types of restoring forces (surface tension, gravity, electromagnetic, etc). Experimental results (both from literature and from a new set of experiments studying sessile drops in cross flowing air) are used to test mathematical models from literature, using a novel whole profile analysis technique for the new experiments. The cause of oscillation (cross flowing air, vibrated surface, etc.) is seen not to affect oscillation frequency. In terms of models, simplified models are seen to poorly predict oscillation frequencies. The most advanced literature models are found to be relatively accurate at predicting frequency. However it is seen that no existing models are reliably accurate across a wide range of contact angles, indicating the need for advanced models/empirical relations especially for drops undergoing the lowest frequency mode of oscillation (the order 1 degree 1 non-axisymmetric 'bending' mode that corresponds to a lateral 'rocking' motion of the drop). PMID:24359696

  19. Reduced-order constrained optimization in IMRT planning

    PubMed Central

    Lu, Renzhi; Radke, Richard J; Yang, Jie; Happersett, Laura; Yorke, Ellen; Jackson, Andrew

    2010-01-01

    This paper presents a new algorithm for constrained intensity-modulated radiotherapy (IMRT) planning, made tractable by a dimensionality reduction using a set of plans obtained by fast, unconstrained optimizations. The main result is to reduce planning time by an order of magnitude, producing viable five field prostate IMRT plans in about 5 min. Broadly, the algorithm has three steps. First, we solve a series of independent unconstrained minimization problems based on standard penalty-based objective functions, probing the space of reasonable beamlet intensities. Next, we apply principal component analysis (PCA) to this set of plans, revealing that the high-dimensional intensity space can be spanned by only a few basis vectors. Finally, we parameterize an IMRT plan as a linear combination of these few basis vectors, enabling the fast solution of a constrained optimization problem for the desired intensities. We describe a simple iterative process for handling the dosevolume constraints that are typically required for clinical evaluation, and demonstrate that the resulting plans meet all clinical constraints based on an approximate dose calculation algorithm. PMID:18997270

  20. Quadratic constrained mixed discrete optimization with an adiabatic quantum optimizer

    NASA Astrophysics Data System (ADS)

    Chandra, Rishabh; Jacobson, N. Tobias; Moussa, Jonathan E.; Frankel, Steven H.; Kais, Sabre

    2014-07-01

    We extend the family of problems that may be implemented on an adiabatic quantum optimizer (AQO). When a quadratic optimization problem has at least one set of discrete controls and the constraints are linear, we call this a quadratic constrained mixed discrete optimization (QCMDO) problem. QCMDO problems are NP-hard, and no efficient classical algorithm for their solution is known. Included in the class of QCMDO problems are combinatorial optimization problems constrained by a linear partial differential equation (PDE) or system of linear PDEs. An essential complication commonly encountered in solving this type of problem is that the linear constraint may introduce many intermediate continuous variables into the optimization while the computational cost grows exponentially with problem size. We resolve this difficulty by developing a constructive mapping from QCMDO to quadratic unconstrained binary optimization (QUBO) such that the size of the QUBO problem depends only on the number of discrete control variables. With a suitable embedding, taking into account the physical constraints of the realizable coupling graph, the resulting QUBO problem can be implemented on an existing AQO. The mapping itself is efficient, scaling cubically with the number of continuous variables in the general case and linearly in the PDE case if an efficient preconditioner is available.

  1. Butterfly Encryption Scheme for Resource-Constrained Wireless Networks †

    PubMed Central

    Sampangi, Raghav V.; Sampalli, Srinivas

    2015-01-01

    Resource-constrained wireless networks are emerging networks such as Radio Frequency Identification (RFID) and Wireless Body Area Networks (WBAN) that might have restrictions on the available resources and the computations that can be performed. These emerging technologies are increasing in popularity, particularly in defence, anti-counterfeiting, logistics and medical applications, and in consumer applications with growing popularity of the Internet of Things. With communication over wireless channels, it is essential to focus attention on securing data. In this paper, we present an encryption scheme called Butterfly encryption scheme. We first discuss a seed update mechanism for pseudorandom number generators (PRNG), and employ this technique to generate keys and authentication parameters for resource-constrained wireless networks. Our scheme is lightweight, as in it requires less resource when implemented and offers high security through increased unpredictability, owing to continuously changing parameters. Our work focuses on accomplishing high security through simplicity and reuse. We evaluate our encryption scheme using simulation, key similarity assessment, key sequence randomness assessment, protocol analysis and security analysis. PMID:26389899

  2. Butterfly Encryption Scheme for Resource-Constrained Wireless Networks.

    PubMed

    Sampangi, Raghav V; Sampalli, Srinivas

    2015-01-01

    Resource-constrained wireless networks are emerging networks such as Radio Frequency Identification (RFID) and Wireless Body Area Networks (WBAN) that might have restrictions on the available resources and the computations that can be performed. These emerging technologies are increasing in popularity, particularly in defence, anti-counterfeiting, logistics and medical applications, and in consumer applications with growing popularity of the Internet of Things. With communication over wireless channels, it is essential to focus attention on securing data. In this paper, we present an encryption scheme called Butterfly encryption scheme. We first discuss a seed update mechanism for pseudorandom number generators (PRNG), and employ this technique to generate keys and authentication parameters for resource-constrained wireless networks. Our scheme is lightweight, as in it requires less resource when implemented and offers high security through increased unpredictability, owing to continuously changing parameters. Our work focuses on accomplishing high security through simplicity and reuse. We evaluate our encryption scheme using simulation, key similarity assessment, key sequence randomness assessment, protocol analysis and security analysis. PMID:26389899

  3. Head shape evolution in Tropidurinae lizards: does locomotion constrain diet?

    PubMed

    Kohlsdorf, T; Grizante, M B; Navas, C A; Herrel, A

    2008-05-01

    Different components of complex integrated systems may be specialized for different functions, and thus the selective pressures acting on the system as a whole may be conflicting and can ultimately constrain organismal performance and evolution. The vertebrate cranial system is one of the most striking examples of a complex system with several possible functions, being associated to activities as different as locomotion, prey capture, display and defensive behaviours. Therefore, selective pressures on the cranial system as a whole are possibly complex and may be conflicting. The present study focuses on the influence of potentially conflicting selective pressures (diet vs. locomotion) on the evolution of head shape in Tropidurinae lizards. For example, the expected adaptations leading to flat heads and bodies in species living on vertical structures may conflict with the need for improved bite performance associated with the inclusion of hard or tough prey into the diet, a common phenomenon in Tropidurinae lizards. Body size and six variables describing head shape were quantified in preserved specimens of 23 species, and information on diet and substrate usage was obtained from the literature. No phylogenetic signal was observed in the morphological data at any branch length tested, suggesting adaptive evolution of head shape in Tropidurinae. This pattern was confirmed by both factor analysis and independent contrast analysis, which suggested adaptive co-variation between the head shape and the inclusion of hard prey into the diet. In contrast to our expectations, habitat use did not constrain or drive head shape evolution in the group. PMID:18384539

  4. Security-constrained unit commitment with flexible operating modes

    NASA Astrophysics Data System (ADS)

    Lu, Bo

    The electricity industry throughout the world, which has long been dominated by vertically integrated utilities, is facing enormous challenges. To enhance the competition in electricity industry, vertically integrated utilities are evolving into a distributed and competitive industry in which market forces drive the price of electricity and possibly reduce the net cost of supplying electrical loads through increased competition. To excel in the competition, generation companies (GENCOs) will acquire additional generating units with flexible operating capability which allows a timely response to the continuous changes in power system conditions. This dissertation considers the short-term scheduling of generating units with flexible modes of operation in security-constrained unit commitment (SCUC). Among the units considered in this study are combined cycle units, fuel switching/blending units, photovoltaic/battery system, pumped-storage units, and cascaded hydro units. The proposed security-constrained unit commitment solution will include a detailed model of transmission system which could impact the short-term scheduling of units with flexible operation modes.

  5. An inexact fuzzy-chance-constrained air quality management model.

    PubMed

    Xu, Ye; Huang, Guohe; Qin, Xiaosheng

    2010-07-01

    Regional air pollution is a major concern for almost every country because it not only directly relates to economic development, but also poses significant threats to environment and public health. In this study, an inexact fuzzy-chance-constrained air quality management model (IFAMM) was developed for regional air quality management under uncertainty. IFAMM was formulated through integrating interval linear programming (ILP) within a fuzzy-chance-constrained programming (FCCP) framework and could deal with uncertainties expressed as not only possibilistic distributions but also discrete intervals in air quality management systems. Moreover, the constraints with fuzzy variables could be satisfied at different confidence levels such that various solutions with different risk and cost considerations could be obtained. The developed model was applied to a hypothetical case of regional air quality management. Six abatement technologies and sulfur dioxide (SO2) emission trading under uncertainty were taken into consideration. The results demonstrated that IFAMM could help decision-makers generate cost-effective air quality management patterns, gain in-depth insights into effects of the uncertainties, and analyze tradeoffs between system economy and reliability. The results also implied that the trading scheme could achieve lower total abatement cost than a nontrading one. PMID:20681428

  6. Constraining the level density using fission of lead projectiles

    NASA Astrophysics Data System (ADS)

    Rodríguez-Sánchez, J. L.; Benlliure, J.; Álvarez-Pol, H.; Audouin, L.; Ayyad, Y.; Bélier, G.; Boutoux, G.; Casarejos, E.; Chatillon, A.; Cortina-Gil, D.; Gorbinet, T.; Heinz, A.; Kelić-Heil, A.; Laurent, B.; Martin, J.-F.; Paradela, C.; Pellereau, E.; Pietras, B.; Ramos, D.; Rodríguez-Tajes, C.; Rossi, D. M.; Simon, H.; Taïeb, J.; Vargas, J.; Voss, B.

    2015-10-01

    The nuclear level density is one of the main ingredients for the statistical description of the fission process. In this work, we propose to constrain the description of this parameter by using fission reactions induced by protons and light ions on 208Pb at high kinetic energies. The experiment was performed at GSI (Darmstadt), where the combined use of the inverse kinematics technique with an efficient detection setup allowed us to measure the atomic number of the two fission fragments in coincidence. This measurement permitted us to obtain with high precision the partial fission cross sections and the width of the charge distribution as a function of the atomic number of the fissioning system. These data and others previously measured, covering a large range in fissility, are compared to state-of-the-art calculations. The results reveal that total and partial fission cross sections cannot unambiguously constrain the level density at ground-state and saddle-point deformations and additional observables, such as the width of the charge distribution of the final fission fragments, are required.

  7. Maximum Constrained Directivity of Oversteered End-Fire Sensor Arrays.

    PubMed

    Trucco, Andrea; Traverso, Federico; Crocco, Marco

    2015-01-01

    For linear arrays with fixed steering and an inter-element spacing smaller than one half of the wavelength, end-fire steering of a data-independent beamformer offers better directivity than broadside steering. The introduction of a lower bound on the white noise gain ensures the necessary robustness against random array errors and sensor mismatches. However, the optimum broadside performance can be obtained using a simple processing architecture, whereas the optimum end-fire performance requires a more complicated system (because complex weight coefficients are needed). In this paper, we reconsider the oversteering technique as a possible way to simplify the processing architecture of equally spaced end-fire arrays. We propose a method for computing the amount of oversteering and the related real-valued weight vector that allows the constrained directivity to be maximized for a given inter-element spacing. Moreover, we verify that the maximized oversteering performance is very close to the optimum end-fire performance. We conclude that optimized oversteering is a viable method for designing end-fire arrays that have better constrained directivity than broadside arrays but with a similar implementation complexity. A numerical simulation is used to perform a statistical analysis, which confirms that the maximized oversteering performance is robust against sensor mismatches. PMID:26066987

  8. Adaptive ranking mutation operator based differential evolution for constrained optimization.

    PubMed

    Gong, Wenyin; Cai, Zhihua; Liang, Dingwen

    2015-04-01

    Differential evolution (DE) is a powerful evolutionary algorithm (EA) for numerical optimization. Combining with the constraint-handling techniques, recently, DE has been successfully used for the constrained optimization problems (COPs). In this paper, we propose the adaptive ranking mutation operator (ARMOR) for DE when solving the COPs. The ARMOR is expected to make DE converge faster and achieve feasible solutions faster. In ARMOR, the solutions are adaptively ranked according to the situation of the current population. More specifically, the population is classified into three situations, i.e., infeasible situation, semi-feasible situation, and feasible situation. In the infeasible situation, the solutions are ranked only based on their constraint violations; in the semi-feasible situation, they are ranked according to the transformed fitness; while in the feasible situation, the objective function value is used to assign ranks to different solutions. In addition, the selection probability of each solution is calculated differently in different situations. The ARMOR is simple, and it can be easily combined with most of constrained DE (CDE) variants. As illustrations, we integrate our approach into three representative CDE variants to evaluate its performance. The 24 benchmark functions presented in CEC 2006 and 18 benchmark functions presented in CEC 2010 are chosen as the test suite. Experimental results verify our expectation that the ARMOR is able to accelerate the original CDE variants in the majority of test cases. Additionally, ARMOR-based CDE is able to provide highly competitive results compared with other state-of-the-art EAs. PMID:25055390

  9. Nonlinear wave propagation in constrained solids subjected to thermal loads

    NASA Astrophysics Data System (ADS)

    Nucera, Claudio; Lanza di Scalea, Francesco

    2014-01-01

    The classical mathematical treatment governing nonlinear wave propagation in solids relies on finite strain theory. In this scenario, a system of nonlinear partial differential equations can be derived to mathematically describe nonlinear phenomena such as acoustoelasticity (wave speed dependency on quasi-static stress), wave interaction, wave distortion, and higher-harmonic generation. The present work expands the topic of nonlinear wave propagation to the case of a constrained solid subjected to thermal loads. The origin of nonlinear effects in this case is explained on the basis of the anharmonicity of interatomic potentials, and the absorption of the potential energy corresponding to the (prevented) thermal expansion. Such "residual" energy is, at least, cubic as a function of strain, hence leading to a nonlinear wave equation and higher-harmonic generation. Closed-form solutions are given for the longitudinal wave speed and the second-harmonic nonlinear parameter as a function of interatomic potential parameters and temperature increase. The model predicts a decrease in longitudinal wave speed and a corresponding increase in nonlinear parameter with increasing temperature, as a result of the thermal stresses caused by the prevented thermal expansion of the solid. Experimental measurements of the ultrasonic nonlinear parameter on a steel block under constrained thermal expansion confirm this trend. These results suggest the potential of a nonlinear ultrasonic measurement to quantify thermal stresses from prevented thermal expansion. This knowledge can be extremely useful to prevent thermal buckling of various structures, such as continuous-welded rails in hot weather.

  10. Constrained optimization framework for joint inversion of geophysical data sets

    NASA Astrophysics Data System (ADS)

    Sosa, A.; Velasco, A. A.; Velazquez, L.; Argaez, M.; Romero, R.

    2013-12-01

    Many experimental techniques in geophysics advance the understanding of Earth processes by estimating and interpreting Earth structure (e.g. velocity and/or density structure). Different types of geophysical data can be collected and analysed separately, sometimes resulting in inconsistent models of the Earth depending on the data used. We present a constrained optimization approach for a joint inversion least-squares (LSQ) algorithm to characterize 1-D Earth's structure. We use two geophysical data sets sensitive to shear velocities: receiver function and surface wave dispersion velocity observations. We study the use of bound constraints on the regularized inverse problem, which are more physical than the regularization parameters required by conventional unconstrained formulations. Specifically, we develop a constrained optimization formulation that is solved with a primal-dual interior-point (PDIP) method, and validate our results with a traditional, unconstrained formulation that is solved with a truncated singular value decomposition (TSVD) for a set of numerical experiments with synthetic crustal velocity models. We conclude that the PDIP results are as accurate as those from the regularized TSVD approach, are less affected by noise, and honour the geophysical constraints.

  11. Wavelet-based face verification for constrained platforms

    NASA Astrophysics Data System (ADS)

    Sellahewa, Harin; Jassim, Sabah A.

    2005-03-01

    Human Identification based on facial images is one of the most challenging tasks in comparison to identification based on other biometric features such as fingerprints, palm prints or iris. Facial recognition is the most natural and suitable method of identification for security related applications. This paper is concerned with wavelet-based schemes for efficient face verification suitable for implementation on devices that are constrained in memory size and computational power such as PDA"s and smartcards. Beside minimal storage requirements we should apply as few as possible pre-processing procedures that are often needed to deal with variation in recoding conditions. We propose the LL-coefficients wavelet-transformed face images as the feature vectors for face verification, and compare its performance of PCA applied in the LL-subband at levels 3,4 and 5. We shall also compare the performance of various versions of our scheme, with those of well-established PCA face verification schemes on the BANCA database as well as the ORL database. In many cases, the wavelet-only feature vector scheme has the best performance while maintaining efficacy and requiring minimal pre-processing steps. The significance of these results is their efficiency and suitability for platforms of constrained computational power and storage capacity (e.g. smartcards). Moreover, working at or beyond level 3 LL-subband results in robustness against high rate compression and noise interference.

  12. Hummingbird: Ultra-Lightweight Cryptography for Resource-Constrained Devices

    NASA Astrophysics Data System (ADS)

    Engels, Daniel; Fan, Xinxin; Gong, Guang; Hu, Honggang; Smith, Eric M.

    Due to the tight cost and constrained resources of high-volume consumer devices such as RFID tags, smart cards and wireless sensor nodes, it is desirable to employ lightweight and specialized cryptographic primitives for many security applications. Motivated by the design of the well-known Enigma machine, we present a novel ultra-lightweight cryptographic algorithm, referred to as Hummingbird, for resource-constrained devices in this paper. Hummingbird can provide the designed security with small block size and is resistant to the most common attacks such as linear and differential cryptanalysis. Furthermore, we also present efficient software implementation of Hummingbird on the 8-bit microcontroller ATmega128L from Atmel and the 16-bit microcontroller MSP430 from Texas Instruments, respectively. Our experimental results show that after a system initialization phase Hummingbird can achieve up to 147 and 4.7 times faster throughput for a size-optimized and a speed-optimized implementations, respectively, when compared to the state-of-the-art ultra-lightweight block cipher PRESENT[10] on the similar platforms.

  13. Acid Rain.

    ERIC Educational Resources Information Center

    Openshaw, Peter

    1987-01-01

    Provides some background information on acid deposition. Includes a historical perspective, describes some effects of acid precipitation, and discusses acid rain in the United Kingdom. Contains several experiments that deal with the effects of acid rain on water quality and soil. (TW)

  14. Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

    PubMed

    Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

    2013-08-22

    Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy ?in has been directly calculated. For solvent reorganization energy ?s, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of ?s has been formulated. It is found that ?s is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies ? are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively. PMID:23895675

  15. Stochastic Image-guided Structure-constrained Inversion

    NASA Astrophysics Data System (ADS)

    Revil, A.; Zhou, J.

    2014-12-01

    The inverse problem we often focus on in geophysics is to try to recover a subsurface model with data obtained from one or more geophysical survey methods, e.g. seismic or electrical methods, while the model parameters are corresponding petrophysical properties, e.g. density, velocity or electrical resistivity. If any prior information about the subsurface structure is given, for instance a guiding image believed to reflects the true structure features is available, we can incorporate it into the regularization term in the inversion, construct the model covariance and perform a structure-constrained inversion. Previous works have shown that compared to conventional inversion algorithms which use homogeneous and stationary regularization term, the image-guided structure-constrained inversion result not only honor the structure features of subsurface, but also tend to better recover the value of the petrophysical parameters of interest. So far, we have considered the guiding image to be perfectly known. If we reverse the concept, instead of trying to find the best geophysical model under constraint of known structure, we assume the subsurface structure is unknown and try to look for the image (or the set of images) which has the highest probability to be correct. This process can be achieved using a Bayesian approach of image-guided inversion. The idea is to parameterize structure features such as faults and sediment layer boundaries into random variables, each of which has a prior probability density. The data vector collected from geophysical survey is fixed, but each random vector of those structure parameters corresponds to a different guiding image, hence generates a different image-guided inversion result. An adaptive Metropolis MCMC algorithm will automatically and efficiently find the proposal distributions of the structure parameters, of which the corresponding images will result in inverted models with less data misfit, hence more possible to be the right image. We will discuss in details the theory of image-guided structure-constrained inversion and the Bayesian scheme. Using electrical resistivity data as an example, one synthetic case and one field case will be investigated. Structural modeling through this effective technique can be very helpful to all kinds of geophysical characterizations.

  16. Constraining the Interior Geophysics of Rubble Pile Asteroids

    NASA Astrophysics Data System (ADS)

    Scheeres, D. J.; Jacobson, S.; McMahon, J.; Hirabayashi, M.

    2013-12-01

    The internal geophysics of small rubble pile asteroids are largely unknown, and standard geophysical theories are not well matched to the extreme environment these bodies exist in. Interior pressures within rapidly spinning rubble piles are predicted to be as small as a few Pascals, a regime in which small non-gravitational forces not considered for larger bodies may become important. Previous research has suggested that the standard geophysical models for internal energy dissipation in this regime require modification (Goldreich and Sari, ApJ 2009), adding additional uncertainty in the geophysics. We report on new theoretical and observational results that suggest a direct way in which fundamental geophysical parameters of small rubble pile asteroids can be constrained. Specifically, we will discuss how the ratio Q/k, tidal dissipation number over tidal Love number, can be inferred and more strictly constrained for primaries in small binary asteroid systems where the secondary is spin-synchronized and the primary is super-synchronous, the most common class of small asteroid binary systems. Jacobson & Scheeres (ApJ 2011) proposed that many of these binary asteroid systems may be in an equilibrium state where contractive Binary YORP forces balance against expansive tidal torques due to tidal distortion of the primary body. The predicted equilibrium semi-major axes for such binary asteroid systems (based on presumed values for the Binary YORP force and Q/k values) has been seen to be consistent with the observed sizes of many of these systems (see figure). Recently, it has also been reported that the spacecraft-accessible binary asteroid 1996 FG3 is in such an equilibrium state (Scheirich et al., Binaries Workshop 2013). The combined detection of such an equilibrium coupled with their theoretical model makes it feasible to sharply constrain the Q/k parameter for the primary asteroid in the 1996 FG3 system and extrapolate its functional form to other such systems. We will review the theory and measurements that make such a determination feasible, and explore other geophysical aspects of such a system that could be determined from a rendezvous space mission. Singly-synchronous binary system primary radii are plotted against their determined value of BQ/k, based on their current semi-major axis. Values of the BYORP coefficient B are on the order of 0.001 with an order of magnitude uncertainty, providing initial estimates on Q/k. Proposed approaches for measuring B, and hence Q/k, will be discussed.

  17. Multicomponent Synthesis of a N-Protected Alpha-Amino Ester: Ethyl 2-((4-Methoxyphenyl)Amino)-3-Phenylpropanoate

    ERIC Educational Resources Information Center

    Le Gall, Erwan; Pignon, Antoine

    2012-01-01

    This laboratory experiment describes the preparation of a N-protected phenylalanine ethyl ester by a zinc-mediated Mannich-like multicomponent reaction between benzyl bromide, "p"-anisidine, and ethyl glyoxylate. The one-step reaction involves the in situ metallation of benzyl bromide into a benzylzinc reagent and its addition onto imine (Barbier

  18. Constraining the MSSM sfermion mass matrices with light fermion masses

    SciTech Connect

    Crivellin, Andreas; Girrbach, Jennifer

    2010-04-01

    We study the finite supersymmetric loop corrections to fermion masses and mixing matrices in the generic MSSM. In this context the effects of non-decoupling chirally-enhanced self-energies are studied beyond leading order in perturbation theory. These NLO corrections are not only necessary for the renormalization of the CKM matrix to be unitary, they are also numerically important for the light fermion masses. Focusing on the trilinear A-terms with generic flavor-structure we derive very strong bounds on the chirality-changing mass insertions {delta}{sub IJ}{sup fLR,RL} by applying 't Hooft's naturalness criterion. In particular, the NLO corrections to the up quark mass allow us to constrain the unbounded element {delta}{sub 13}{sup uRL} if at the same time {delta}{sub 13}{sup uLR} is unequal to zero. Our result is important for single-top production at the LHC.

  19. Locality-constrained anomaly detection for hyperspectral imagery

    NASA Astrophysics Data System (ADS)

    Liu, Jiabin; Li, Wei; Du, Qian; Liu, Kui

    2015-12-01

    Detecting a target with low-occurrence-probability from unknown background in a hyperspectral image, namely anomaly detection, is of practical significance. Reed-Xiaoli (RX) algorithm is considered as a classic anomaly detector, which calculates the Mahalanobis distance between local background and the pixel under test. Local RX, as an adaptive RX detector, employs a dual-window strategy to consider pixels within the frame between inner and outer windows as local background. However, the detector is sensitive if such a local region contains anomalous pixels (i.e., outliers). In this paper, a locality-constrained anomaly detector is proposed to remove outliers in the local background region before employing the RX algorithm. Specifically, a local linear representation is designed to exploit the internal relationship between linearly correlated pixels in the local background region and the pixel under test and its neighbors. Experimental results demonstrate that the proposed detector improves the original local RX algorithm.

  20. Total energy control system autopilot design with constrained parameter optimization

    NASA Technical Reports Server (NTRS)

    Ly, Uy-Loi; Voth, Christopher

    1990-01-01

    A description is given of the application of a multivariable control design method (SANDY) based on constrained parameter optimization to the design of a multiloop aircraft flight control system. Specifically, the design method is applied to the direct synthesis of a multiloop AFCS inner-loop feedback control system based on total energy control system (TECS) principles. The design procedure offers a structured approach for the determination of a set of stabilizing controller design gains that meet design specifications in closed-loop stability, command tracking performance, disturbance rejection, and limits on control activities. The approach can be extended to a broader class of multiloop flight control systems. Direct tradeoffs between many real design goals are rendered systematic by proper formulation of the design objectives and constraints. Satisfactory designs are usually obtained in few iterations. Performance characteristics of the optimized TECS design have been improved, particularly in the areas of closed-loop damping and control activity in the presence of turbulence.

  1. A constrained sequential EM algorithm for speech enhancement.

    TOXLINE Toxicology Bibliographic Information

    Park S; Choi S

    2008-11-01

    Speech enhancement is a fundamental problem, the goal of which is to estimate clean speech s(t), given a noise-contaminated signal s(t)+n(t), where n(t) is white or colored noise. This task can be viewed as a probabilistic inference problem which involves estimating the posterior distribution of hidden clean speech, given a noisy observation. Kalman filter is a representative method but is restricted to Gaussian distributions only. We consider the generalized auto-regressive (GAR) model in order to capture the non-Gaussian characteristics of speech. Then we present a constrained sequential EM algorithm where Rao-Blackwellized particle filters (RBPFs) are used in the E-step and model parameters are updated in a sequential manner in the M-step under positivity constraints for noise variance parameters. Numerical experiments confirm the high performance of our proposed method, compared to Kalman filter-based methods, in the task of sequential speech enhancement.

  2. Constrained blind source extraction of readiness potentials from EEG.

    PubMed

    Ahmadian, Pouya; Sanei, Saeid; Ascari, Luca; González-Villanueva, Lara; Alessandra Umiltà, Maria

    2013-07-01

    One of the changes seen in electroencephalography (EEG) data preceding human voluntary movement is a cortical potential called readiness potential (RP). Detection of this potential can benefit researchers in clinical neurosciences for rehabilitation of malfunctioning brain and those working on brain-computer interfacing to develop a suitable mechanism to detect the intention of movement. Here, a constrained blind source extraction (CBSE) is attempted for detection of RP. A suitable constraint is defined and applied. The results are also compared with those of the traditional blind source separation in terms of true positive rate, false positive rate, and computation time. The results show that the CBSE approach in overall has superior performance. PMID:23193324

  3. Phenolate constrained geometry polymerization catalyst and method for preparing

    DOEpatents

    Marks, Tobin J. (Evanston, IL); Chen, You-Xian (Chicago, IL)

    1999-01-01

    The subject invention involves a method of preparing and the constrained geometry catalyst thereby prepared of the general formula Ar'R4(O)Ar"R'.sub.4 M(CH.sub.2 Ph).sub.2 where Ar' is a phenyl or naphthyl group; Ar" is a cyclopentadienyl or indenyl group, R and R' are H or alkyl substituents (C.ltoreq.10) and M is Ti, Zr or Hf. The synthetic method involves a simple alkane elimination approach which permits a "one-pot" procedure. The catalyst, when combined with a cocatalyst such as Pb.sub.3 C.sup.+ B(Ar.sub.3.sup.F).sub.4 BAr.sub.3.sup.F or methyl alumoxane where Ar.sup.F is a fluoroaryl group, is an effective catalyst for the polymerization of .alpha.-olefins such as ethylene, propylene and styrene.

  4. Forced to be free? Increasing patient autonomy by constraining it

    PubMed Central

    2014-01-01

    It is universally accepted in bioethics that doctors and other medical professionals have an obligation to procure the informed consent of their patients. Informed consent is required because patients have the moral right to autonomy in furthering the pursuit of their most important goals. In the present work, it is argued that evidence from psychology shows that human beings are subject to a number of biases and limitations as reasoners, which can be expected to lower the quality of their decisions and which therefore make it more difficult for them to pursue their most important goals by giving informed consent. It is further argued that patient autonomy is best promoted by constraining the informed consent procedure. By limiting the degree of freedom patients have to choose, the good that informed consent is supposed to protect can be promoted. PMID:22318413

  5. Finding intrinsic rewards by embodied evolution and constrained reinforcement learning.

    PubMed

    Uchibe, Eiji; Doya, Kenji

    2008-12-01

    Understanding the design principle of reward functions is a substantial challenge both in artificial intelligence and neuroscience. Successful acquisition of a task usually requires not only rewards for goals, but also for intermediate states to promote effective exploration. This paper proposes a method for designing 'intrinsic' rewards of autonomous agents by combining constrained policy gradient reinforcement learning and embodied evolution. To validate the method, we use Cyber Rodent robots, in which collision avoidance, recharging from battery packs, and 'mating' by software reproduction are three major 'extrinsic' rewards. We show in hardware experiments that the robots can find appropriate 'intrinsic' rewards for the vision of battery packs and other robots to promote approach behaviors. PMID:19013054

  6. Computational strategies in the dynamic simulation of constrained flexible MBS

    NASA Technical Reports Server (NTRS)

    Amirouche, F. M. L.; Xie, M.

    1993-01-01

    This research focuses on the computational dynamics of flexible constrained multibody systems. At first a recursive mapping formulation of the kinematical expressions in a minimum dimension as well as the matrix representation of the equations of motion are presented. The method employs Kane's equation, FEM, and concepts of continuum mechanics. The generalized active forces are extended to include the effects of high temperature conditions, such as creep, thermal stress, and elastic-plastic deformation. The time variant constraint relations for rolling/contact conditions between two flexible bodies are also studied. The constraints for validation of MBS simulation of gear meshing contact using a modified Timoshenko beam theory are also presented. The last part deals with minimization of vibration/deformation of the elastic beam in multibody systems making use of time variant boundary conditions. The above methodologies and computational procedures developed are being implemented in a program called DYAMUS.

  7. Constraining photon mass by energy-dependent gravitational light bending

    NASA Astrophysics Data System (ADS)

    Qian, Lei

    2012-03-01

    In the standard model of particle physics, photons are massless particles with a particular dispersion relation. Tests of this claim at different scales are both interesting and important. Experiments in territory labs and several exterritorial tests have put some upper limits on photon mass, e.g., torsion balance experiment in the lab shows that photon mass should be smaller than 1.2 10-51g. In this work, this claim is tested at a cosmological scale by looking at strong gravitational lensing data available and an upper limit of 8.71 10-39g on photon mass is given. Observations of energy-dependent gravitational lensing with not yet available higher accuracy astrometry instruments may constrain photon mass better.

  8. The expanded Lagrangian system for constrained optimization problems

    NASA Technical Reports Server (NTRS)

    Poore, A. B.; Al-Hassan, Q.

    1988-01-01

    Smooth penalty functions can be combined with numerical continuation/bifurcation techniques to produce a class of robust and fast algorithms for constrained optimization problems. The key to the development of these algorithms is the Expanded Lagrangian System which is derived and analyzed in this work. This parameterized system of nonlinear equations contains the penalty path as a solution, provides a smooth homotopy into the first-order necessary conditions, and yields a global optimization technique. Furthermore, the inevitable ill-conditioning present in a sequential optimization algorithm is removed for three penalty methods: the quadratic penalty function for equality constraints, and the logarithmic barrier function (an interior method) and the quadratic loss function (an interior method) for inequality constraints. Although these techniques apply to optimization in general and to linear and nonlinear programming, calculus of variations, optimal control and parameter identification in particular, the development is primarily within the context of nonlinear programming.

  9. Spatially constrained clustering over GIS generated suitability maps

    NASA Astrophysics Data System (ADS)

    Partsinevelos, Panagiotis; Papadakis, Kostas

    2015-06-01

    An abundance of GIS and Remote Sensing based spatial analysis studies result in various types of suitability maps, where selected regions are classified according to application driven qualitative or quantitative rules. Often, upon the resulting classified regions which define spatially constrained classes, users intent to position facilities in order to satisfy a series of demand sites spread throughout the study area. This fine tuning procedure, not tackled under classic clustering and location analysis algorithms, is addressed through the extension of k-means algorithm, by restricting cluster centers inside a priori outlined regions, while minimizing distance metrics towards demand locations. Experimentation in both synthetic and real based datasets shows the applicability of the approach and demonstrates the overall performance of the algorithm.

  10. Constraining primordial magnetic fields with CMB polarization experiments

    SciTech Connect

    Kristiansen, Jostein R.; Ferreira, Pedro G.

    2008-06-15

    We calculate the effect that a primordial homogeneous magnetic field, B{sub 0}, will have on the different CMB power spectra due to Faraday rotation. Concentrating on the TB, EB, and BB correlations, we forecast the ability for future CMB polarization experiments to constrain B{sub 0}. Our results depend on how well the foregrounds can be subtracted from the CMB maps, but we find a predicted error between {sigma}{sub B{sub 0}}=4x10{sup -11} G (for the QUIET experiment with foregrounds perfectly subtracted) and 3x10{sup -10} G (with the Clover experiment with no foreground subtraction). These constraints are two orders of magnitude better than the present limits on B{sub 0}.

  11. Constraining f(R) gravity by the Large Scale Structure

    NASA Astrophysics Data System (ADS)

    de Martino, Ivan; De Laurentis, Mariafelicia; Capozziello, Salvatore

    2015-07-01

    Over the past decades, General Relativity and the concordance ΛCDM model have been successfully tested using several different astrophysical and cosmological probes based on large datasets (precision cosmology). Despite their successes, some shortcomings emerge due to the fact that General Relativity should be revised at infrared and ultraviolet limits and to the fact that the fundamental nature of Dark Matter and Dark Energy is still a puzzle to be solved. In this perspective, f(R) gravity have been extensively investigated being the most straightforward way to modify General Relativity and to overcame some of the above shortcomings. In this paper, we review various aspects of f(R) gravity at extragalactic and cosmological levels. In particular, we consider cluster of galaxies, cosmological perturbations, and N-Body simulations, focusing on those models that satisfy both cosmological and local gravity constraints. The perspective is that some classes of f(R) models can be consistently constrained by Large Scale Structure.

  12. Population Induced Instabilities in Genetic Algorithms for Constrained Optimization

    NASA Astrophysics Data System (ADS)

    Vlachos, D. S.; Parousis-Orthodoxou, K. J.

    2013-02-01

    Evolutionary computation techniques, like genetic algorithms, have received a lot of attention as optimization techniques but, although they exhibit a very promising potential in curing the problem, they have not produced a significant breakthrough in the area of systematic treatment of constraints. There are two mainly ways of handling the constraints: the first is to produce an infeasibility measure and add it to the general cost function (the well known penalty methods) and the other is to modify the mutation and crossover operation in a way that they only produce feasible members. Both methods have their drawbacks and are strongly correlated to the problem that they are applied. In this work, we propose a different treatment of the constraints: we induce instabilities in the evolving population, in a way that infeasible solution cannot survive as they are. Preliminary results are presented in a set of well known from the literature constrained optimization problems.

  13. Constrained optimization of gradient waveforms for generalized diffusion encoding.

    PubMed

    Sjlund, Jens; Szczepankiewicz, Filip; Nilsson, Markus; Topgaard, Daniel; Westin, Carl-Fredrik; Knutsson, Hans

    2015-12-01

    Diffusion MRI is a useful probe of tissue microstructure. The conventional diffusion encoding sequence, the single pulsed field gradient, has recently been challenged as more general gradient waveforms have been introduced. Out of these, we focus on q-space trajectory imaging, which generalizes the scalar b-value to a tensor valued entity. To take full advantage of its capabilities, it is imperative to respect the constraints imposed by the hardware, while at the same time maximizing the diffusion encoding strength. We provide a tool that achieves this by solving a constrained optimization problem that accommodates constraints on maximum gradient amplitude, slew rate, coil heating and positioning of radio frequency pulses. The method's efficacy and flexibility is demonstrated both experimentally and by comparison with previous work on optimization of isotropic diffusion sequences. PMID:26583528

  14. Phenolate constrained geometry polymerization catalyst and method for preparing

    DOEpatents

    Marks, T.J.; Chen, Y.X.

    1999-01-05

    The subject invention involves a method of preparing and the constrained geometry catalyst thereby prepared of the general formula Ar{prime}R4(O)Ar{double_prime}R{prime}{sub 4}M(CH{sub 2}Ph){sub 2} where Ar{prime} is a phenyl or naphthyl group; Ar{double_prime} is a cyclopentadienyl or indenyl group, R and R{prime} are H or alkyl substituents (C{<=}10) and M is Ti, Zr or Hf. The synthetic method involves a simple alkane elimination approach which permits a ``one-pot`` procedure. The catalyst, when combined with a cocatalyst such as Pb{sub 3}C{sup +}B(Ar{sub 3}{sup F}){sub 4}BAr{sub 3}{sup F} or methyl alumoxane where Ar{sup F} is a fluoroaryl group, is an effective catalyst for the polymerization of {alpha}-olefins such as ethylene, propylene and styrene. 1 fig.

  15. A dynamic hybrid framework for constrained evolutionary optimization.

    PubMed

    Wang, Yong; Cai, Zixing

    2012-02-01

    Based on our previous work, this paper presents a dynamic hybrid framework, called DyHF, for solving constrained optimization problems. This framework consists of two major steps: global search model and local search model. In the global and local search models, differential evolution serves as the search engine, and Pareto dominance used in multiobjective optimization is employed to compare the individuals in the population. Unlike other existing methods, the above two steps are executed dynamically according to the feasibility proportion of the current population in this paper, with the purpose of reasonably distributing the computational resource for the global and local search during the evolution. The performance of DyHF is tested on 22 benchmark test functions. The experimental results clearly show that the overall performance of DyHF is highly competitive with that of a number of state-of-the-art approaches from the literature. PMID:21824851

  16. Late time CMB anisotropies constrain mini-charged particles

    SciTech Connect

    Burrage, C.; Redondo, J.; Ringwald, A.; Jaeckel, J. E-mail: joerg.jaeckel@durham.ac.uk E-mail: andreas.ringwald@desy.de

    2009-11-01

    Observations of the temperature anisotropies induced as light from the CMB passes through large scale structures in the late universe are a sensitive probe of the interactions of photons in such environments. In extensions of the Standard Model which give rise to mini-charged particles, photons propagating through transverse magnetic fields can be lost to pair production of such particles. Such a decrement in the photon flux would occur as photons from the CMB traverse the magnetic fields of galaxy clusters. Therefore late time CMB anisotropies can be used to constrain the properties of mini-charged particles. We outline how this test is constructed, and present new constraints on mini-charged particles from observations of the Sunyaev-Zel'dovich effect in the Coma cluster.

  17. Constraining Omegam from High-z HII Galaxies

    NASA Astrophysics Data System (ADS)

    Siegel, E. R.; Rodriguez Hildago, P.; Gallego, J. P.; Orduna, M.; Guzman, R.

    2003-12-01

    We investigate the use of a well-known empirical correlation between the velocity dispersion (sigma), metallicity (O/H), and luminosity in H? of nearby HII galaxies to measure the distances to HII-like galaxies at high redshifts. This method was first suggested by Melnick, Terlevich, and Terlevich (2000), who showed that the resulting distance measurements may place an important constrain on the cosmological parameter Omegam. We apply their method to a sample of 28 HII-type galaxies with redshifts between z=2.15 and z=3.38, using data available from the literature. A detailed analysis of systematic errors, their causes, and their effects on the values derived for the distances and Omegam was carried out. A discussion on how future work may improve the constraints on Omegam by reducing both systematic and random errors is also provided.

  18. A Study of the Constrained Vapor Bubble Thermosyphon

    NASA Technical Reports Server (NTRS)

    Wayner, Peter C., Jr.; Plawsky, J. L.

    2000-01-01

    The objective of this effort is to better understand the physics of evaporation, condensation, and fluid flow as they affect the heat transfer processes in a constrained vapor bubble heat exchanger (CVBHX). This CVBHX consists of a small enclosed container with a square cross section (inside dimensions. 3 x 3 x 40 mm) partially filled with a liquid. The major portion of the liquid is in the corners, which act as arteries. When a temperature difference is applied to the ends of the CVBHX, evaporation occurs at the hot end and condensation at the cold end resulting in a very effective heat transfer device with great potential in space applications. Liquid is returned by capillary flow in the corners. A complete description of the system and the results obtained to date are given in the papers listed.

  19. Constrained optimization of gradient waveforms for generalized diffusion encoding

    NASA Astrophysics Data System (ADS)

    Sjölund, Jens; Szczepankiewicz, Filip; Nilsson, Markus; Topgaard, Daniel; Westin, Carl-Fredrik; Knutsson, Hans

    2015-12-01

    Diffusion MRI is a useful probe of tissue microstructure. The conventional diffusion encoding sequence, the single pulsed field gradient, has recently been challenged as more general gradient waveforms have been introduced. Out of these, we focus on q-space trajectory imaging, which generalizes the scalar b-value to a tensor valued entity. To take full advantage of its capabilities, it is imperative to respect the constraints imposed by the hardware, while at the same time maximizing the diffusion encoding strength. We provide a tool that achieves this by solving a constrained optimization problem that accommodates constraints on maximum gradient amplitude, slew rate, coil heating and positioning of radio frequency pulses. The method's efficacy and flexibility is demonstrated both experimentally and by comparison with previous work on optimization of isotropic diffusion sequences.

  20. Origin of constrained maximal CP violation in flavor symmetry

    NASA Astrophysics Data System (ADS)

    He, Hong-Jian; Rodejohann, Werner; Xu, Xun-Jie

    2015-12-01

    Current data from neutrino oscillation experiments are in good agreement with ? = -?/2 and ?23 =?/4 under the standard parametrization of the mixing matrix. We define the notion of "constrained maximal CP violation" (CMCPV) for predicting these features and study their origin in flavor symmetry. We derive the parametrization-independent solution of CMCPV and give a set of equivalent definitions for it. We further present a theorem on how the CMCPV can be realized. This theorem takes the advantage of residual symmetries in neutrino and charged lepton mass matrices, and states that, up to a few minor exceptions, (| ? | ,?23) = (?/2 ,?/4) is generated when those symmetries are real. The often considered ?- ? reflection symmetry, as well as specific discrete subgroups of O(3), is a special case of our theorem.