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Sample records for n-15 resonance assignment

  1. H-1 and N-15 resonance assignment of the second fibronectin type III module of the neural cell adhesion molecule

    DEFF Research Database (Denmark)

    Kiselyov, Vladislav V; Berezin, Vladimir; Bock, Elisabeth

    2008-01-01

    We report here the NMR assignment of the second fibronectin type III module of the neural cell adhesion molecule (NCAM). This module has previously been shown to interact with the fibroblast growth factor receptor (FGFR), and the FGFR-binding site was mapped by NMR to the FG-loop region of the mo......We report here the NMR assignment of the second fibronectin type III module of the neural cell adhesion molecule (NCAM). This module has previously been shown to interact with the fibroblast growth factor receptor (FGFR), and the FGFR-binding site was mapped by NMR to the FG-loop region...... of the module. The FG-loop region also contains a putative nucleotide-binding motif, which was shown by NMR to interact with ATP. Furthermore, ATP was demonstrated to inhibit binding of the second F3 module of NCAM to FGFR....

  2. Contact replacement for NMR resonance assignment.

    Science.gov (United States)

    Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

    2008-07-01

    Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

  3. RNA-PAIRS: RNA probabilistic assignment of imino resonance shifts

    International Nuclear Information System (INIS)

    Bahrami, Arash; Clos, Lawrence J.; Markley, John L.; Butcher, Samuel E.; Eghbalnia, Hamid R.

    2012-01-01

    The significant biological role of RNA has further highlighted the need for improving the accuracy, efficiency and the reach of methods for investigating RNA structure and function. Nuclear magnetic resonance (NMR) spectroscopy is vital to furthering the goals of RNA structural biology because of its distinctive capabilities. However, the dispersion pattern in the NMR spectra of RNA makes automated resonance assignment, a key step in NMR investigation of biomolecules, remarkably challenging. Herein we present RNA Probabilistic Assignment of Imino Resonance Shifts (RNA-PAIRS), a method for the automated assignment of RNA imino resonances with synchronized verification and correction of predicted secondary structure. RNA-PAIRS represents an advance in modeling the assignment paradigm because it seeds the probabilistic network for assignment with experimental NMR data, and predicted RNA secondary structure, simultaneously and from the start. Subsequently, RNA-PAIRS sets in motion a dynamic network that reverberates between predictions and experimental evidence in order to reconcile and rectify resonance assignments and secondary structure information. The procedure is halted when assignments and base-parings are deemed to be most consistent with observed crosspeaks. The current implementation of RNA-PAIRS uses an initial peak list derived from proton-nitrogen heteronuclear multiple quantum correlation ( 1 H– 15 N 2D HMQC) and proton–proton nuclear Overhauser enhancement spectroscopy ( 1 H– 1 H 2D NOESY) experiments. We have evaluated the performance of RNA-PAIRS by using it to analyze NMR datasets from 26 previously studied RNAs, including a 111-nucleotide complex. For moderately sized RNA molecules, and over a range of comparatively complex structural motifs, the average assignment accuracy exceeds 90%, while the average base pair prediction accuracy exceeded 93%. RNA-PAIRS yielded accurate assignments and base pairings consistent with imino resonances for a

  4. RNA-PAIRS: RNA probabilistic assignment of imino resonance shifts

    Energy Technology Data Exchange (ETDEWEB)

    Bahrami, Arash; Clos, Lawrence J.; Markley, John L.; Butcher, Samuel E. [National Magnetic Resonance Facility at Madison (United States); Eghbalnia, Hamid R., E-mail: eghbalhd@uc.edu [University of Cincinnati, Department of Molecular and Cellular Physiology (United States)

    2012-04-15

    The significant biological role of RNA has further highlighted the need for improving the accuracy, efficiency and the reach of methods for investigating RNA structure and function. Nuclear magnetic resonance (NMR) spectroscopy is vital to furthering the goals of RNA structural biology because of its distinctive capabilities. However, the dispersion pattern in the NMR spectra of RNA makes automated resonance assignment, a key step in NMR investigation of biomolecules, remarkably challenging. Herein we present RNA Probabilistic Assignment of Imino Resonance Shifts (RNA-PAIRS), a method for the automated assignment of RNA imino resonances with synchronized verification and correction of predicted secondary structure. RNA-PAIRS represents an advance in modeling the assignment paradigm because it seeds the probabilistic network for assignment with experimental NMR data, and predicted RNA secondary structure, simultaneously and from the start. Subsequently, RNA-PAIRS sets in motion a dynamic network that reverberates between predictions and experimental evidence in order to reconcile and rectify resonance assignments and secondary structure information. The procedure is halted when assignments and base-parings are deemed to be most consistent with observed crosspeaks. The current implementation of RNA-PAIRS uses an initial peak list derived from proton-nitrogen heteronuclear multiple quantum correlation ({sup 1}H-{sup 15}N 2D HMQC) and proton-proton nuclear Overhauser enhancement spectroscopy ({sup 1}H-{sup 1}H 2D NOESY) experiments. We have evaluated the performance of RNA-PAIRS by using it to analyze NMR datasets from 26 previously studied RNAs, including a 111-nucleotide complex. For moderately sized RNA molecules, and over a range of comparatively complex structural motifs, the average assignment accuracy exceeds 90%, while the average base pair prediction accuracy exceeded 93%. RNA-PAIRS yielded accurate assignments and base pairings consistent with imino

  5. A new strategy for backbone resonance assignment in large proteins using a MQ-HACACO experiment

    International Nuclear Information System (INIS)

    Pervushin, Konstantin; Eletsky, Alexander

    2003-01-01

    A new strategy of backbone resonance assignment is proposed based on a combination of the most sensitive TROSY-type triple resonance experiments such as TROSY-HNCA and TROSY-HNCO with a new 3D multiple-quantum HACACO experiment. The favourable relaxation properties of the multiple-quantum coherences and signal detection using the 13 C' antiphase coherences optimize the performance of the proposed experiment for application to larger proteins. In addition to the 1 H N , 15 N, 13 C α and 13 C' chemical shifts the 3D multiple-quantum HACACO experiment provides assignment for the 1 H α resonances in contrast to previously proposed experiments for large proteins. The strategy is demonstrated with the 44 kDa uniformly 15 N, 13 C-labeled and fractionally 35% deuterated trimeric B. subtilis Chorismate Mutase measured at 20 deg. C and 9 deg. C. Measurements at the lower temperature indicate that the new strategy can be applied to even larger proteins with molecular weights up to 80 kDa

  6. An automated framework for NMR resonance assignment through simultaneous slice picking and spin system forming

    KAUST Repository

    Abbas, Ahmed; Guo, Xianrong; Jing, Bingyi; Gao, Xin

    2014-01-01

    positives and negatives impair the performance of resonance assignment methods. One of the main reasons for this problem is that the computational research community often considers peak picking and resonance assignment to be two separate problems, whereas

  7. H-1, C-13 and N-15 resonance assignments of human DCL-1 (CD302) extracellular domain

    Czech Academy of Sciences Publication Activity Database

    Pospíšilová, Eliška; Kavan, Daniel; Novák, Petr; Chmelík, Josef

    2016-01-01

    Roč. 10, č. 1 (2016), s. 189-192 ISSN 1874-2718 R&D Projects: GA MŠk(CZ) LO1509; GA MŠk(CZ) EE2.3.20.0055; GA MŠk(CZ) EE2.3.30.0003; GA MŠk(CZ) ED1.1.00/02.0109 Institutional support: RVO:61388971 Keywords : DCL-1 (CD302) * C-type lectin like receptor * Protein NMR Subject RIV: EE - Microbiology, Virology Impact factor: 0.459, year: 2016

  8. P-wave assignment of 232Th neutron resonances

    International Nuclear Information System (INIS)

    Corvi, F.; Pasquariello, G.; Veen, T. van der

    1978-01-01

    A method of p-wave assignment which exploits the parity dependence of the primary capture γ-ray spectrum was applied to the 232 Th resonance. The yield of capture γ-rays above 4.4 MeV from a 6 mm thick metallic thorium disk was measured in the neutron energy range 20-2200 eV and compared to a similar run with γ-rays in the range 3.7 - 4.4 MeV. A total of 58 resonances showing an enhancement of the high energy γ-ray yield were assigned as p-waves. Assuming that their reduced neutron widths follow a Porter-Thomas distribution, their average value and then the p-wave strength function S 1 were estimated with a maximum likelihood method. The results are: average neutron width=3.4(+0.8 or -0.6)meV; S 1 = 2.0 (+0.5 or -0.4).10 -4

  9. Role of magnetic resonance imaging in assigning sex in an ...

    African Journals Online (AJOL)

    A three years old child with ambiguous genitalia since birth had been referred to Muhimbili National Hospital (MNH),a tertiary referral hospital, in order to be evaluated and assigned sex correctly. Due to periphery location of the referring center, social and economic constraints, the child was not presented earlier. Physical ...

  10. An automated framework for NMR resonance assignment through simultaneous slice picking and spin system forming

    KAUST Repository

    Abbas, Ahmed

    2014-04-19

    Despite significant advances in automated nuclear magnetic resonance-based protein structure determination, the high numbers of false positives and false negatives among the peaks selected by fully automated methods remain a problem. These false positives and negatives impair the performance of resonance assignment methods. One of the main reasons for this problem is that the computational research community often considers peak picking and resonance assignment to be two separate problems, whereas spectroscopists use expert knowledge to pick peaks and assign their resonances at the same time. We propose a novel framework that simultaneously conducts slice picking and spin system forming, an essential step in resonance assignment. Our framework then employs a genetic algorithm, directed by both connectivity information and amino acid typing information from the spin systems, to assign the spin systems to residues. The inputs to our framework can be as few as two commonly used spectra, i.e., CBCA(CO)NH and HNCACB. Different from the existing peak picking and resonance assignment methods that treat peaks as the units, our method is based on \\'slices\\', which are one-dimensional vectors in three-dimensional spectra that correspond to certain (N, H) values. Experimental results on both benchmark simulated data sets and four real protein data sets demonstrate that our method significantly outperforms the state-of-the-art methods while using a less number of spectra than those methods. Our method is freely available at http://sfb.kaust.edu.sa/Pages/Software.aspx. © 2014 Springer Science+Business Media.

  11. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data

    Energy Technology Data Exchange (ETDEWEB)

    Zuiderweg, Erik R. P., E-mail: zuiderwe@umich.edu; Bagai, Ireena [The University of Michigan Medical School, Department of Biological Chemistry (United States); Rossi, Paolo [Rutgers University, Center for Integrative Proteomics Research (United States); Bertelsen, Eric B. [Arbor Communications, Inc. (United States)

    2013-10-15

    For several of the proteins in the BioMagResBank larger than 200 residues, 60 % or fewer of the backbone resonances were assigned. But how reliable are those assignments? In contrast to complete assignments, where it is possible to check whether every triple-resonance Generalized Spin System (GSS) is assigned once and only once, with incomplete data one should compare all possible assignments and pick the best one. But that is not feasible: For example, for 200 residues and an incomplete set of 100 GSS, there are 1.6 Multiplication-Sign 10{sup 260} possible assignments. In 'EZ-ASSIGN', the protein sequence is divided in smaller unique fragments. Combined with intelligent search approaches, an exhaustive comparison of all possible assignments is now feasible using a laptop computer. The program was tested with experimental data of a 388-residue domain of the Hsp70 chaperone protein DnaK and for a 351-residue domain of a type III secretion ATPase. EZ-ASSIGN reproduced the hand assignments. It did slightly better than the computer program PINE (Bahrami et al. in PLoS Comput Biol 5(3):e1000307, 2009) and significantly outperformed SAGA (Crippen et al. in J Biomol NMR 46:281-298, 2010), AUTOASSIGN (Zimmerman et al. in J Mol Biol 269:592-610, 1997), and IBIS (Hyberts and Wagner in J Biomol NMR 26:335-344, 2003). Next, EZ-ASSIGN was used to investigate how well NMR data of decreasing completeness can be assigned. We found that the program could confidently assign fragments in very incomplete data. Here, EZ-ASSIGN dramatically outperformed all the other assignment programs tested.

  12. Automated solid-state NMR resonance assignment of protein microcrystals and amyloids

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, Elena [Goethe University Frankfurt am Main, Center for Biomolecular Magnetic Resonance, Institute of Biophysical Chemistry (Germany); Gath, Julia [ETH Zurich, Physical Chemistry (Switzerland); Habenstein, Birgit [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France); Ravotti, Francesco; Szekely, Kathrin; Huber, Matthias [ETH Zurich, Physical Chemistry (Switzerland); Buchner, Lena [Goethe University Frankfurt am Main, Center for Biomolecular Magnetic Resonance, Institute of Biophysical Chemistry (Germany); Boeckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland); Guentert, Peter, E-mail: guentert@em.uni-frankfurt.de [Goethe University Frankfurt am Main, Center for Biomolecular Magnetic Resonance, Institute of Biophysical Chemistry (Germany)

    2013-07-15

    Solid-state NMR is an emerging structure determination technique for crystalline and non-crystalline protein assemblies, e.g., amyloids. Resonance assignment constitutes the first and often very time-consuming step to a structure. We present ssFLYA, a generally applicable algorithm for automatic assignment of protein solid-state NMR spectra. Application to microcrystals of ubiquitin and the Ure2 prion C-terminal domain, as well as amyloids of HET-s(218-289) and {alpha}-synuclein yielded 88-97 % correctness for the backbone and side-chain assignments that are classified as self-consistent by the algorithm, and 77-90 % correctness if also assignments classified as tentative by the algorithm are included.

  13. Automated solid-state NMR resonance assignment of protein microcrystals and amyloids

    International Nuclear Information System (INIS)

    Schmidt, Elena; Gath, Julia; Habenstein, Birgit; Ravotti, Francesco; Székely, Kathrin; Huber, Matthias; Buchner, Lena; Böckmann, Anja; Meier, Beat H.; Güntert, Peter

    2013-01-01

    Solid-state NMR is an emerging structure determination technique for crystalline and non-crystalline protein assemblies, e.g., amyloids. Resonance assignment constitutes the first and often very time-consuming step to a structure. We present ssFLYA, a generally applicable algorithm for automatic assignment of protein solid-state NMR spectra. Application to microcrystals of ubiquitin and the Ure2 prion C-terminal domain, as well as amyloids of HET-s(218–289) and α-synuclein yielded 88–97 % correctness for the backbone and side-chain assignments that are classified as self-consistent by the algorithm, and 77–90 % correctness if also assignments classified as tentative by the algorithm are included

  14. 4D experiments measured with APSY for automated backbone resonance assignments of large proteins

    International Nuclear Information System (INIS)

    Krähenbühl, Barbara; Boudet, Julien; Wider, Gerhard

    2013-01-01

    Detailed structural and functional characterization of proteins by solution NMR requires sequence-specific resonance assignment. We present a set of transverse relaxation optimization (TROSY) based four-dimensional automated projection spectroscopy (APSY) experiments which are designed for resonance assignments of proteins with a size up to 40 kDa, namely HNCACO, HNCOCA, HNCACB and HN(CO)CACB. These higher-dimensional experiments include several sensitivity-optimizing features such as multiple quantum parallel evolution in a ‘just-in-time’ manner, aliased off-resonance evolution, evolution-time optimized APSY acquisition, selective water-handling and TROSY. The experiments were acquired within the concept of APSY, but they can also be used within the framework of sparsely sampled experiments. The multidimensional peak lists derived with APSY provided chemical shifts with an approximately 20 times higher precision than conventional methods usually do, and allowed the assignment of 90 % of the backbone resonances of the perdeuterated primase-polymerase ORF904, which contains 331 amino acid residues and has a molecular weight of 38.4 kDa.

  15. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data

    International Nuclear Information System (INIS)

    Zuiderweg, Erik R. P.; Bagai, Ireena; Rossi, Paolo; Bertelsen, Eric B.

    2013-01-01

    For several of the proteins in the BioMagResBank larger than 200 residues, 60 % or fewer of the backbone resonances were assigned. But how reliable are those assignments? In contrast to complete assignments, where it is possible to check whether every triple-resonance Generalized Spin System (GSS) is assigned once and only once, with incomplete data one should compare all possible assignments and pick the best one. But that is not feasible: For example, for 200 residues and an incomplete set of 100 GSS, there are 1.6 × 10 260 possible assignments. In “EZ-ASSIGN”, the protein sequence is divided in smaller unique fragments. Combined with intelligent search approaches, an exhaustive comparison of all possible assignments is now feasible using a laptop computer. The program was tested with experimental data of a 388-residue domain of the Hsp70 chaperone protein DnaK and for a 351-residue domain of a type III secretion ATPase. EZ-ASSIGN reproduced the hand assignments. It did slightly better than the computer program PINE (Bahrami et al. in PLoS Comput Biol 5(3):e1000307, 2009) and significantly outperformed SAGA (Crippen et al. in J Biomol NMR 46:281–298, 2010), AUTOASSIGN (Zimmerman et al. in J Mol Biol 269:592–610, 1997), and IBIS (Hyberts and Wagner in J Biomol NMR 26:335–344, 2003). Next, EZ-ASSIGN was used to investigate how well NMR data of decreasing completeness can be assigned. We found that the program could confidently assign fragments in very incomplete data. Here, EZ-ASSIGN dramatically outperformed all the other assignment programs tested

  16. A novel strategy for NMR resonance assignment and protein structure determination

    International Nuclear Information System (INIS)

    Lemak, Alexander; Gutmanas, Aleksandras; Chitayat, Seth; Karra, Murthy; Farès, Christophe; Sunnerhagen, Maria; Arrowsmith, Cheryl H.

    2011-01-01

    The quality of protein structures determined by nuclear magnetic resonance (NMR) spectroscopy is contingent on the number and quality of experimentally-derived resonance assignments, distance and angular restraints. Two key features of protein NMR data have posed challenges for the routine and automated structure determination of small to medium sized proteins; (1) spectral resolution – especially of crowded nuclear Overhauser effect spectroscopy (NOESY) spectra, and (2) the reliance on a continuous network of weak scalar couplings as part of most common assignment protocols. In order to facilitate NMR structure determination, we developed a semi-automated strategy that utilizes non-uniform sampling (NUS) and multidimensional decomposition (MDD) for optimal data collection and processing of selected, high resolution multidimensional NMR experiments, combined it with an ABACUS protocol for sequential and side chain resonance assignments, and streamlined this procedure to execute structure and refinement calculations in CYANA and CNS, respectively. Two graphical user interfaces (GUIs) were developed to facilitate efficient analysis and compilation of the data and to guide automated structure determination. This integrated method was implemented and refined on over 30 high quality structures of proteins ranging from 5.5 to 16.5 kDa in size.

  17. Editorial, n. 15, 2003

    Directory of Open Access Journals (Sweden)

    Editor Encontros Bibli

    2003-01-01

    Informação da UFSC, que já está em seu oitavo ano, por sua Comissão Editorial, compartilhada com a presença de colegas do Brasil e exterior, manifesta sua alegria por esta conquista e exulta pela coincidência neste ano das Comemorações dos trinta anos do Curso de Biblioteconomia da UFSC e o início do Mestrado em Ciência da Informação desta instituição. Nesta edição do primeiro semestre do ano de 2003, Encontros Bibli tem a satisfação de trazer quatro artigos, dois oriundos da produção de pesquisadores da Escola de Ciência da Informação da Universidade Federal de Minas Gerais e dois oriundos da produção de pesquisa realizada por pesquisadores do Departamento de Ciência da Informação da UFSC. Aos leitores desejamos que estas contribuições ensejem questões que contribuam com a produção de reflexões e interrogações geradoras de novas investigações as quais naturalmente virão a contribuir para o progresso do conhecimento nacional em Ciência da Informação. Um grande abraço a todos e a todas! Prof. Francisco das Chagas de Souza Editor Departamento de Ciência da Informação Universidade Federal de Santa Catarina Brasil Disponibilizado na WWW em 20/05/2003. Enc. Bibli: R. Eletr. Bibliotecon. Ci. Inf., Florianópolis, n.15, 1º sem. 2003. 1

  18. High dimensional and high resolution pulse sequences for backbone resonance assignment of intrinsically disordered proteins

    Energy Technology Data Exchange (ETDEWEB)

    Zawadzka-Kazimierczuk, Anna; Kozminski, Wiktor, E-mail: kozmin@chem.uw.edu.pl [University of Warsaw, Faculty of Chemistry (Poland); Sanderova, Hana; Krasny, Libor [Institute of Microbiology, Academy of Sciences of the Czech Republic, Laboratory of Molecular Genetics of Bacteria, Department of Bacteriology (Czech Republic)

    2012-04-15

    Four novel 5D (HACA(N)CONH, HNCOCACB, (HACA)CON(CA)CONH, (H)NCO(NCA)CONH), and one 6D ((H)NCO(N)CACONH) NMR pulse sequences are proposed. The new experiments employ non-uniform sampling that enables achieving high resolution in indirectly detected dimensions. The experiments facilitate resonance assignment of intrinsically disordered proteins. The novel pulse sequences were successfully tested using {delta} subunit (20 kDa) of Bacillus subtilis RNA polymerase that has an 81-amino acid disordered part containing various repetitive sequences.

  19. Nitrogen-detected CAN and CON experiments as alternative experiments for main chain NMR resonance assignments

    International Nuclear Information System (INIS)

    Takeuchi, Koh; Heffron, Gregory; Sun, Zhen-Yu J.; Frueh, Dominique P.; Wagner, Gerhard

    2010-01-01

    Heteronuclear direct-detection experiments, which utilize the slower relaxation properties of low γ nuclei, such as 13 C have recently been proposed for sequence-specific assignment and structural analyses of large, unstructured, and/or paramagnetic proteins. Here we present two novel 15 N direct-detection experiments. The CAN experiment sequentially connects amide 15 N resonances using 13 C α chemical shift matching, and the CON experiment connects the preceding 13 C' nuclei. When starting from the same carbon polarization, the intensities of nitrogen signals detected in the CAN or CON experiments would be expected four times lower than those of carbon resonances observed in the corresponding 13 C-detecting experiment, NCA-DIPAP or NCO-IPAP (Bermel et al. 2006b; Takeuchi et al. 2008). However, the disadvantage due to the lower γ is counteracted by the slower 15 N transverse relaxation during detection, the possibility for more efficient decoupling in both dimensions, and relaxation optimized properties of the pulse sequences. As a result, the median S/N in the 15 N observe CAN experiment is 16% higher than in the 13 C observe NCA-DIPAP experiment. In addition, significantly higher sensitivity was observed for those residues that are hard to detect in the NCA-DIPAP experiment, such as Gly, Ser and residues with high-field C α resonances. Both CAN and CON experiments are able to detect Pro resonances that would not be observed in conventional proton-detected experiments. In addition, those experiments are free from problems of incomplete deuterium-to-proton back exchange in amide positions of perdeuterated proteins expressed in D 2 O. Thus, these features and the superior resolution of 15 N-detected experiments provide an attractive alternative for main chain assignments. The experiments are demonstrated with the small model protein GB1 at conditions simulating a 150 kDa protein, and the 52 kDa glutathione S-transferase dimer, GST.

  20. Sequence determination and resonance assignments of an Azomonas siderophore using 13C natural abundance 13C-1H HNCA experiment

    Czech Academy of Sciences Publication Activity Database

    Wasielewski, E.; Abdallah, M. A.; Kyslík, Pavel; Kieffer, B.

    2001-01-01

    Roč. 4, - (2001), s. 765-770 ISSN 1387-1609 Institutional research plan: CEZ:AV0Z5020903 Keywords : determination * resonance * assignments Subject RIV: EE - Microbiology, Virology Impact factor: 0.555, year: 2001

  1. An efficient randomized algorithm for contact-based NMR backbone resonance assignment.

    Science.gov (United States)

    Kamisetty, Hetunandan; Bailey-Kellogg, Chris; Pandurangan, Gopal

    2006-01-15

    Backbone resonance assignment is a critical bottleneck in studies of protein structure, dynamics and interactions by nuclear magnetic resonance (NMR) spectroscopy. A minimalist approach to assignment, which we call 'contact-based', seeks to dramatically reduce experimental time and expense by replacing the standard suite of through-bond experiments with the through-space (nuclear Overhauser enhancement spectroscopy, NOESY) experiment. In the contact-based approach, spectral data are represented in a graph with vertices for putative residues (of unknown relation to the primary sequence) and edges for hypothesized NOESY interactions, such that observed spectral peaks could be explained if the residues were 'close enough'. Due to experimental ambiguity, several incorrect edges can be hypothesized for each spectral peak. An assignment is derived by identifying consistent patterns of edges (e.g. for alpha-helices and beta-sheets) within a graph and by mapping the vertices to the primary sequence. The key algorithmic challenge is to be able to uncover these patterns even when they are obscured by significant noise. This paper develops, analyzes and applies a novel algorithm for the identification of polytopes representing consistent patterns of edges in a corrupted NOESY graph. Our randomized algorithm aggregates simplices into polytopes and fixes inconsistencies with simple local modifications, called rotations, that maintain most of the structure already uncovered. In characterizing the effects of experimental noise, we employ an NMR-specific random graph model in proving that our algorithm gives optimal performance in expected polynomial time, even when the input graph is significantly corrupted. We confirm this analysis in simulation studies with graphs corrupted by up to 500% noise. Finally, we demonstrate the practical application of the algorithm on several experimental beta-sheet datasets. Our approach is able to eliminate a large majority of noise edges and to

  2. Towards fully automated structure-based NMR resonance assignment of 15N-labeled proteins from automatically picked peaks

    KAUST Repository

    Jang, Richard; Gao, Xin; Li, Ming

    2011-01-01

    In NMR resonance assignment, an indispensable step in NMR protein studies, manually processed peaks from both N-labeled and C-labeled spectra are typically used as inputs. However, the use of homologous structures can allow one to use only N-labeled NMR data and avoid the added expense of using C-labeled data. We propose a novel integer programming framework for structure-based backbone resonance assignment using N-labeled data. The core consists of a pair of integer programming models: one for spin system forming and amino acid typing, and the other for backbone resonance assignment. The goal is to perform the assignment directly from spectra without any manual intervention via automatically picked peaks, which are much noisier than manually picked peaks, so methods must be error-tolerant. In the case of semi-automated/manually processed peak data, we compare our system with the Xiong-Pandurangan-Bailey- Kellogg's contact replacement (CR) method, which is the most error-tolerant method for structure-based resonance assignment. Our system, on average, reduces the error rate of the CR method by five folds on their data set. In addition, by using an iterative algorithm, our system has the added capability of using the NOESY data to correct assignment errors due to errors in predicting the amino acid and secondary structure type of each spin system. On a publicly available data set for human ubiquitin, where the typing accuracy is 83%, we achieve 91% accuracy, compared to the 59% accuracy obtained without correcting for such errors. In the case of automatically picked peaks, using assignment information from yeast ubiquitin, we achieve a fully automatic assignment with 97% accuracy. To our knowledge, this is the first system that can achieve fully automatic structure-based assignment directly from spectra. This has implications in NMR protein mutant studies, where the assignment step is repeated for each mutant. © Copyright 2011, Mary Ann Liebert, Inc.

  3. Towards fully automated structure-based NMR resonance assignment of 15N-labeled proteins from automatically picked peaks

    KAUST Repository

    Jang, Richard

    2011-03-01

    In NMR resonance assignment, an indispensable step in NMR protein studies, manually processed peaks from both N-labeled and C-labeled spectra are typically used as inputs. However, the use of homologous structures can allow one to use only N-labeled NMR data and avoid the added expense of using C-labeled data. We propose a novel integer programming framework for structure-based backbone resonance assignment using N-labeled data. The core consists of a pair of integer programming models: one for spin system forming and amino acid typing, and the other for backbone resonance assignment. The goal is to perform the assignment directly from spectra without any manual intervention via automatically picked peaks, which are much noisier than manually picked peaks, so methods must be error-tolerant. In the case of semi-automated/manually processed peak data, we compare our system with the Xiong-Pandurangan-Bailey- Kellogg\\'s contact replacement (CR) method, which is the most error-tolerant method for structure-based resonance assignment. Our system, on average, reduces the error rate of the CR method by five folds on their data set. In addition, by using an iterative algorithm, our system has the added capability of using the NOESY data to correct assignment errors due to errors in predicting the amino acid and secondary structure type of each spin system. On a publicly available data set for human ubiquitin, where the typing accuracy is 83%, we achieve 91% accuracy, compared to the 59% accuracy obtained without correcting for such errors. In the case of automatically picked peaks, using assignment information from yeast ubiquitin, we achieve a fully automatic assignment with 97% accuracy. To our knowledge, this is the first system that can achieve fully automatic structure-based assignment directly from spectra. This has implications in NMR protein mutant studies, where the assignment step is repeated for each mutant. © Copyright 2011, Mary Ann Liebert, Inc.

  4. 13C, 15N Resonance Assignment of Parts of the HET-s Prion Protein in its Amyloid Form

    International Nuclear Information System (INIS)

    Siemer, Ansgar B.; Ritter, Christiane; Steinmetz, Michel O.; Ernst, Matthias; Riek, Roland; Meier, Beat H.

    2006-01-01

    The partial 15 N and 13 C solid-state NMR resonance assignment of the HET-s prion protein fragment 218-289 in its amyloid form is presented. It is based on experiments measured at MAS frequencies in the range of 20-40 kHz using exclusively adiabatic polarization-transfer schemes. The resonance assignment within each residue is based on two-dimensional 13 C-- 13 C correlation spectra utilizing the DREAM mixing scheme. The sequential linking of the assigned residues used a set of two- and three-dimensional 15 N-- 13 C correlation experiments. Almost all cross peaks visible in the spectra are assigned, but only resonances from 43 of the 78 amino-acid residues could be detected. The missing residues are thought to be highly disordered and/or highly dynamic giving rise to broad resonance lines that escaped detection in the experiments applied. The line widths of the observed resonances are narrow and comparable to line widths observed in micro-crystalline samples. The 43 assigned residues are located in two fragments of about 20 residues

  5. Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches.

    Science.gov (United States)

    Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph A; Lundström, Patrik

    2015-01-01

    The process of resonance assignment is fundamental to most NMR studies of protein structure and dynamics. Unfortunately, the manual assignment of residues is tedious and time-consuming, and can represent a significant bottleneck for further characterization. Furthermore, while automated approaches have been developed, they are often limited in their accuracy, particularly for larger proteins. Here, we address this by introducing the software COMPASS, which, by combining automated resonance assignment with manual intervention, is able to achieve accuracy approaching that from manual assignments at greatly accelerated speeds. Moreover, by including the option to compensate for isotope shift effects in deuterated proteins, COMPASS is far more accurate for larger proteins than existing automated methods. COMPASS is an open-source project licensed under GNU General Public License and is available for download from http://www.liu.se/forskning/foass/tidigare-foass/patrik-lundstrom/software?l=en. Source code and binaries for Linux, Mac OS X and Microsoft Windows are available.

  6. Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches.

    Directory of Open Access Journals (Sweden)

    Markus Niklasson

    2015-01-01

    Full Text Available The process of resonance assignment is fundamental to most NMR studies of protein structure and dynamics. Unfortunately, the manual assignment of residues is tedious and time-consuming, and can represent a significant bottleneck for further characterization. Furthermore, while automated approaches have been developed, they are often limited in their accuracy, particularly for larger proteins. Here, we address this by introducing the software COMPASS, which, by combining automated resonance assignment with manual intervention, is able to achieve accuracy approaching that from manual assignments at greatly accelerated speeds. Moreover, by including the option to compensate for isotope shift effects in deuterated proteins, COMPASS is far more accurate for larger proteins than existing automated methods. COMPASS is an open-source project licensed under GNU General Public License and is available for download from http://www.liu.se/forskning/foass/tidigare-foass/patrik-lundstrom/software?l=en. Source code and binaries for Linux, Mac OS X and Microsoft Windows are available.

  7. Methods for sequential resonance assignment in solid, uniformly 13C, 15N labelled peptides: Quantification and application to antamanide

    International Nuclear Information System (INIS)

    Detken, Andreas; Hardy, Edme H.; Ernst, Matthias; Kainosho, Masatsune; Kawakami, Toru; Aimoto, Saburo; Meier, Beat H.

    2001-01-01

    The application of adiabatic polarization-transfer experiments to resonance assignment in solid, uniformly 13 C- 15 N-labelled polypeptides is demonstrated for the cyclic decapeptide antamanide. A homonuclear correlation experiment employing the DREAM sequence for adiabatic dipolar transfer yields a complete assignment of the C α and aliphatic side-chain 13 C resonances to amino acid types. The same information can be obtained from a TOBSY experiment using the recently introduced P9 1 12 TOBSY sequence, which employs the J couplings as a transfer mechanism. A comparison of the two methods is presented. Except for some aromatic phenylalanine resonances, a complete sequence-specific assignment of the 13 C and 15 N resonances in antamanide is achieved by a series of selective or broadband adiabatic triple-resonance experiments. Heteronuclear transfer by adiabatic-passage Hartmann-Hahn cross polarization is combined with adiabatic homonuclear transfer by the DREAM and rotational-resonance tickling sequences into two- and three-dimensional experiments. The performance of these experiments is evaluated quantitatively

  8. 1H and 15N resonance assignments of oxidized flavodoxin from Anacystis nidulans with 3D NMR

    International Nuclear Information System (INIS)

    Clubb, R.T.; Thanabal, V.; Wagner, G.; Osborne, C.

    1991-01-01

    Proton and nitrogen-15 sequence-specific nuclear magnetic resonance assignments have been determined for recombinant oxidized flavodoxin from Anacystis nidulans. Assignments were obtained by using 15 N- 1 H heteronuclear three-dimensional (3D) NMR spectroscopy on a uniformly nitrogen-15 enriched sample of the protein, pH 6.6, at 30C. For 165 residues, the backbone and a large fraction of the side-chain proton resonances have been assigned. Medium- and long-range NOE's have been used to characterize the secondary structure. In solution, flavodoxin consists of a five-stranded parallel β sheet involving residues 3-9, 31-37, 49-56, 81-89, 114-117, and 141-144. Medium-range NOE's indicate that presence of several helices. Several 15 N and 1 H resonances of the flavin mononucleotide (FMN) prosthetic group have been assigned. The FMN-binding site has been investigated by using polypeptide-FMN NOE's

  9. TSAR: a program for automatic resonance assignment using 2D cross-sections of high dimensionality, high-resolution spectra

    Energy Technology Data Exchange (ETDEWEB)

    Zawadzka-Kazimierczuk, Anna; Kozminski, Wiktor [University of Warsaw, Faculty of Chemistry (Poland); Billeter, Martin, E-mail: martin.billeter@chem.gu.se [University of Gothenburg, Biophysics Group, Department of Chemistry and Molecular Biology (Sweden)

    2012-09-15

    While NMR studies of proteins typically aim at structure, dynamics or interactions, resonance assignments represent in almost all cases the initial step of the analysis. With increasing complexity of the NMR spectra, for example due to decreasing extent of ordered structure, this task often becomes both difficult and time-consuming, and the recording of high-dimensional data with high-resolution may be essential. Random sampling of the evolution time space, combined with sparse multidimensional Fourier transform (SMFT), allows for efficient recording of very high dimensional spectra ({>=}4 dimensions) while maintaining high resolution. However, the nature of this data demands for automation of the assignment process. Here we present the program TSAR (Tool for SMFT-based Assignment of Resonances), which exploits all advantages of SMFT input. Moreover, its flexibility allows to process data from any type of experiments that provide sequential connectivities. The algorithm was tested on several protein samples, including a disordered 81-residue fragment of the {delta} subunit of RNA polymerase from Bacillus subtilis containing various repetitive sequences. For our test examples, TSAR achieves a high percentage of assigned residues without any erroneous assignments.

  10. Smartnotebook: A semi-automated approach to protein sequential NMR resonance assignments

    International Nuclear Information System (INIS)

    Slupsky, Carolyn M.; Boyko, Robert F.; Booth, Valerie K.; Sykes, Brian D.

    2003-01-01

    Complete and accurate NMR spectral assignment is a prerequisite for high-throughput automated structure determination of biological macromolecules. However, completely automated assignment procedures generally encounter difficulties for all but the most ideal data sets. Sources of these problems include difficulty in resolving correlations in crowded spectral regions, as well as complications arising from dynamics, such as weak or missing peaks, or atoms exhibiting more than one peak due to exchange phenomena. Smartnotebook is a semi-automated assignment software package designed to combine the best features of the automated and manual approaches. The software finds and displays potential connections between residues, while the spectroscopist makes decisions on which connection is correct, allowing rapid and robust assignment. In addition, smartnotebook helps the user fit chains of connected residues to the primary sequence of the protein by comparing the experimentally determined chemical shifts with expected shifts derived from a chemical shift database, while providing bookkeeping throughout the assignment procedure

  11. Resonance assignment of the NMR spectra of disordered proteins using a multi-objective non-dominated sorting genetic algorithm

    International Nuclear Information System (INIS)

    Yang, Yu; Fritzsching, Keith J.; Hong, Mei

    2013-01-01

    A multi-objective genetic algorithm is introduced to predict the assignment of protein solid-state NMR (SSNMR) spectra with partial resonance overlap and missing peaks due to broad linewidths, molecular motion, and low sensitivity. This non-dominated sorting genetic algorithm II (NSGA-II) aims to identify all possible assignments that are consistent with the spectra and to compare the relative merit of these assignments. Our approach is modeled after the recently introduced Monte-Carlo simulated-annealing (MC/SA) protocol, with the key difference that NSGA-II simultaneously optimizes multiple assignment objectives instead of searching for possible assignments based on a single composite score. The multiple objectives include maximizing the number of consistently assigned peaks between multiple spectra (“good connections”), maximizing the number of used peaks, minimizing the number of inconsistently assigned peaks between spectra (“bad connections”), and minimizing the number of assigned peaks that have no matching peaks in the other spectra (“edges”). Using six SSNMR protein chemical shift datasets with varying levels of imperfection that was introduced by peak deletion, random chemical shift changes, and manual peak picking of spectra with moderately broad linewidths, we show that the NSGA-II algorithm produces a large number of valid and good assignments rapidly. For high-quality chemical shift peak lists, NSGA-II and MC/SA perform similarly well. However, when the peak lists contain many missing peaks that are uncorrelated between different spectra and have chemical shift deviations between spectra, the modified NSGA-II produces a larger number of valid solutions than MC/SA, and is more effective at distinguishing good from mediocre assignments by avoiding the hazard of suboptimal weighting factors for the various objectives. These two advantages, namely diversity and better evaluation, lead to a higher probability of predicting the correct

  12. Resonance assignment of the NMR spectra of disordered proteins using a multi-objective non-dominated sorting genetic algorithm.

    Science.gov (United States)

    Yang, Yu; Fritzsching, Keith J; Hong, Mei

    2013-11-01

    A multi-objective genetic algorithm is introduced to predict the assignment of protein solid-state NMR (SSNMR) spectra with partial resonance overlap and missing peaks due to broad linewidths, molecular motion, and low sensitivity. This non-dominated sorting genetic algorithm II (NSGA-II) aims to identify all possible assignments that are consistent with the spectra and to compare the relative merit of these assignments. Our approach is modeled after the recently introduced Monte-Carlo simulated-annealing (MC/SA) protocol, with the key difference that NSGA-II simultaneously optimizes multiple assignment objectives instead of searching for possible assignments based on a single composite score. The multiple objectives include maximizing the number of consistently assigned peaks between multiple spectra ("good connections"), maximizing the number of used peaks, minimizing the number of inconsistently assigned peaks between spectra ("bad connections"), and minimizing the number of assigned peaks that have no matching peaks in the other spectra ("edges"). Using six SSNMR protein chemical shift datasets with varying levels of imperfection that was introduced by peak deletion, random chemical shift changes, and manual peak picking of spectra with moderately broad linewidths, we show that the NSGA-II algorithm produces a large number of valid and good assignments rapidly. For high-quality chemical shift peak lists, NSGA-II and MC/SA perform similarly well. However, when the peak lists contain many missing peaks that are uncorrelated between different spectra and have chemical shift deviations between spectra, the modified NSGA-II produces a larger number of valid solutions than MC/SA, and is more effective at distinguishing good from mediocre assignments by avoiding the hazard of suboptimal weighting factors for the various objectives. These two advantages, namely diversity and better evaluation, lead to a higher probability of predicting the correct assignment for a

  13. Empirical Equation Based Chirality (n, m Assignment of Semiconducting Single Wall Carbon Nanotubes from Resonant Raman Scattering Data

    Directory of Open Access Journals (Sweden)

    Md Shamsul Arefin

    2012-12-01

    Full Text Available This work presents a technique for the chirality (n, m assignment of semiconducting single wall carbon nanotubes by solving a set of empirical equations of the tight binding model parameters. The empirical equations of the nearest neighbor hopping parameters, relating the term (2n, m with the first and second optical transition energies of the semiconducting single wall carbon nanotubes, are also proposed. They provide almost the same level of accuracy for lower and higher diameter nanotubes. An algorithm is presented to determine the chiral index (n, m of any unknown semiconducting tube by solving these empirical equations using values of radial breathing mode frequency and the first or second optical transition energy from resonant Raman spectroscopy. In this paper, the chirality of 55 semiconducting nanotubes is assigned using the first and second optical transition energies. Unlike the existing methods of chirality assignment, this technique does not require graphical comparison or pattern recognition between existing experimental and theoretical Kataura plot.

  14. Empirical Equation Based Chirality (n, m) Assignment of Semiconducting Single Wall Carbon Nanotubes from Resonant Raman Scattering Data

    Science.gov (United States)

    Arefin, Md Shamsul

    2012-01-01

    This work presents a technique for the chirality (n, m) assignment of semiconducting single wall carbon nanotubes by solving a set of empirical equations of the tight binding model parameters. The empirical equations of the nearest neighbor hopping parameters, relating the term (2n− m) with the first and second optical transition energies of the semiconducting single wall carbon nanotubes, are also proposed. They provide almost the same level of accuracy for lower and higher diameter nanotubes. An algorithm is presented to determine the chiral index (n, m) of any unknown semiconducting tube by solving these empirical equations using values of radial breathing mode frequency and the first or second optical transition energy from resonant Raman spectroscopy. In this paper, the chirality of 55 semiconducting nanotubes is assigned using the first and second optical transition energies. Unlike the existing methods of chirality assignment, this technique does not require graphical comparison or pattern recognition between existing experimental and theoretical Kataura plot. PMID:28348319

  15. Systematic assignment of Feshbach resonances via an asymptotic bound state model

    NARCIS (Netherlands)

    Goosen, M.; Kokkelmans, SJ.J.M.F.

    2008-01-01

    We present an Asymptotic Bound state Model (ABM), which is useful to predict Feshbach resonances. The model utilizes asymptotic properties of the interaction potentials to represent coupled molecular wavefunctions. The bound states of this system give rise to Feshbach resonances, localized at the

  16. Assignment of methyl NMR resonances of a 52 kDa protein with residue-specific 4D correlation maps

    International Nuclear Information System (INIS)

    Mishra, Subrata H.; Frueh, Dominique P.

    2015-01-01

    Methyl groups have become key probes for structural and functional studies by nuclear magnetic resonance. However, their NMR signals cluster in a small spectral region and assigning their resonances can be a tedious process. Here, we present a method that facilitates assignment of methyl resonances from assigned amide groups. Calculating the covariance between sensitive methyl and amide 3D spectra, each providing correlations to C α and C β separately, produces 4D correlation maps directly correlating methyl groups to amide groups. Optimal correlation maps are obtained by extracting residue-specific regions, applying derivative to the dimensions subject to covariance, and multiplying 4D maps stemming from different 3D spectra. The latter procedure rescues weak signals that may be missed in traditional assignment procedures. Using these covariance correlation maps, nearly all assigned isoleucine, leucine, and valine amide resonances of a 52 kDa nonribosomal peptide synthetase cyclization domain were paired with their corresponding methyl groups

  17. 13C-detected NMR experiments for automatic resonance assignment of IDPs and multiple-fixing SMFT processing

    International Nuclear Information System (INIS)

    Dziekański, Paweł; Grudziąż, Katarzyna; Jarvoll, Patrik; Koźmiński, Wiktor; Zawadzka-Kazimierczuk, Anna

    2015-01-01

    Intrinsically disordered proteins (IDPs) have recently attracted much interest, due to their role in many biological processes, including signaling and regulation mechanisms. High-dimensional 13 C direct-detected NMR experiments have proven exceptionally useful in case of IDPs, providing spectra with superior peak dispersion. Here, two such novel experiments recorded with non-uniform sampling are introduced, these are 5D HabCabCO(CA)NCO and 5D HNCO(CA)NCO. Together with the 4D (HACA)CON(CA)NCO, an extension of the previously published 3D experiments (Pantoja-Uceda and Santoro in J Biomol NMR 59:43–50, 2014. doi: 10.1007/s10858-014-9827-1 10.1007/s10858-014-9827-1 ), they form a set allowing for complete and reliable resonance assignment of difficult IDPs. The processing is performed with sparse multidimensional Fourier transform based on the concept of restricting (fixing) some of spectral dimensions to a priori known resonance frequencies. In our study, a multiple-fixing method was developed, that allows easy access to spectral data. The experiments were tested on a resolution-demanding alpha-synuclein sample. Due to superior peak dispersion in high-dimensional spectrum and availability of the sequential connectivities between four consecutive residues, the overwhelming majority of resonances could be assigned automatically using the TSAR program

  18. Resonance assignment for a particularly challenging protein based on systematic unlabeling of amino acids to complement incomplete NMR data sets

    International Nuclear Information System (INIS)

    Bellstedt, Peter; Seiboth, Thomas; Häfner, Sabine; Kutscha, Henriette; Ramachandran, Ramadurai; Görlach, Matthias

    2013-01-01

    NMR-based structure determination of a protein requires the assignment of resonances as indispensable first step. Even though heteronuclear through-bond correlation methods are available for that purpose, challenging situations arise in cases where the protein in question only yields samples of limited concentration and/or stability. Here we present a strategy based upon specific individual unlabeling of all 20 standard amino acids to complement standard NMR experiments and to achieve unambiguous backbone assignments for the fast precipitating 23 kDa catalytic domain of human aprataxin of which only incomplete standard NMR data sets could be obtained. Together with the validation of this approach utilizing the protein GB1 as a model, a comprehensive insight into metabolic interconversion ('scrambling”) of NH and CO groups in a standard Escherichia coli expression host is provided

  19. A simple biosynthetic method for stereospecific resonance assignment of prochiral methyl groups in proteins

    International Nuclear Information System (INIS)

    Plevin, Michael J.; Hamelin, Olivier; Boisbouvier, Jérôme; Gans, Pierre

    2011-01-01

    A new method for stereospecific assignment of prochiral methyl groups in proteins is presented in which protein samples are produced using U-[ 13 C]glucose and subsaturating amounts of 2-[ 13 C]methyl-acetolactate. The resulting non-uniform labeling pattern allows proR and proS methyl groups to be easily distinguished by their different phases in a constant-time two-dimensional 1 H- 13 C correlation spectra. Protein samples are conveniently prepared using the same media composition as the main uniformly-labeled sample and contain higher levels of isotope-enrichment than fractional labeling approaches. This new strategy thus represents an economically-attractive, robust alternative for obtaining isotopically-encoded stereospecific NMR assignments of prochiral methyl groups.

  20. Backbone resonance assignments of the outer membrane lipoprotein FrpD from Neisseria meningitidis

    Czech Academy of Sciences Publication Activity Database

    Bumba, Ladislav; Sviridova, E.; Kutá-Smatanová, Ivana; Řezáčová, Pavlína; Veverka, Václav

    2014-01-01

    Roč. 8, č. 1 (2014), s. 53-55 ISSN 1874-2718 R&D Projects: GA ČR(CZ) GAP207/11/0717; GA MŠk(CZ) LK11205 Institutional support: RVO:61388963 ; RVO:61388971 ; RVO:67179843 Keywords : Neisseria meningitidis * FrpC * FrpD * backbone assignments * NMR * iron-regulated protein Subject RIV: CE - Biochemistry Impact factor: 0.760, year: 2014

  1. Complete resonance assignment for the polypeptide backbone of interleukin 1β using three-dimensional heteronuclear NMR spectroscopy

    International Nuclear Information System (INIS)

    Driscoll, P.C.; Clore, G.M.; Marion, D.; Gronenborn, A.M.; Wingfield, P.T.

    1990-01-01

    The complete sequence-specific assignment of the 15 N and 1 H backbone resonances of the NMR spectrum of recombinant human interleukin 1β has been obtained by using primarily 15 N- 1 H heteronuclear three-dimensional (3D) NMR techniques in combination with 15 N- 1 H heteronuclear and 1 H homonuclear two-dimensional NMR. The fingerprint region of the spectrum was analyzed by using a combination of 3D heteronuclear 1 H Hartmann-Hahn 15 N- 1 H multiple quantum coherence (3D HOHAHA-HMQC) and 3D heteronuclear 1 H nuclear Overhauser 15 N- 1 H multiple quantum coherence (3D NOESY-HMQC) spectroscopies. The authors show that the problems of amide NH and C α H chemical shift degeneracy that are prevalent for proteins of the size are readily overcome by using the 3D heteronuclear NMR technique. A doubling of some peaks in the spectrum was found to be due to N-terminal heterogeneity of the 15 N-labeled protein, corresponding to a mixture of wild-type and des-Ala-1-interleukin 1β. The complete list of 15 N and 1 H assignments is given for all the amide NH and C α H resonances of all non-proline residues, as well as the 1 H assignments for some of the amino acid side chains. This first example of the sequence-specific assignment of a protein using heteronuclear 3D NMR provides a basis for further conformational and dynamic studies of interleukin 1β

  2. Assignment of protein backbone resonances using connectivity, torsion angles and 13Cα chemical shifts

    International Nuclear Information System (INIS)

    Morris, Laura C.; Valafar, Homayoun; Prestegard, James H.

    2004-01-01

    A program is presented which will return the most probable sequence location for a short connected set of residues in a protein given just 13 C α chemical shifts (δ( 13 C α )) and data restricting the φ and ψ backbone angles. Data taken from both the BioMagResBank and the Protein Data Bank were used to create a probability density function (PDF) using a multivariate normal distribution in δ( 13 C α ), φ, and ψ space for each amino acid residue. Extracting and combining probabilities for particular amino acid residues in a short proposed sequence yields a score indicative of the correctness of the proposed assignment. The program is illustrated using several proteins for which structure and 13 C α chemical shift data are available

  3. NMR backbone resonance assignments of the prodomain variants of BDNF in the urea denatured state.

    Science.gov (United States)

    Wang, Jing; Bains, Henrietta; Anastasia, Agustin; Bracken, Clay

    2018-04-01

    Brain derived neurotrophic factor (BDNF) is a member of the neurotrophin family of proteins which plays a central role in neuronal survival, growth, plasticity and memory. A single Val66Met variant has been identified in the prodomain of human BDNF that is associated with anxiety, depression and memory disorders. The structural differences within the full-length prodomain Val66 and Met66 isoforms could shed light on the mechanism of action of the Met66 and its impact on the development of neuropsychiatric-associated disorders. In the present study, we report the backbone 1 H, 13 C, and 15 N NMR assignments of both full-length Val66 and Met66 prodomains in the presence of 2 M urea. These conditions were utilized to suppress residual structure and aid subsequent native state structural investigations aimed at mapping and identifying variant-dependent conformational differences under native-state conditions.

  4. 1H and 31P resonance assignments and secondary structure of hairpin conformer of IA mismatched oligonucleotide d-GGTACIAGTACC

    International Nuclear Information System (INIS)

    Chary, K.V.R.; Rastogi, V.K.; Govil, Girjesh

    1994-01-01

    Almost complete 1 H and 31 P resonance assignments of two coexisting conformers, duplex and an hairpin, of d-GGTACIAGTACC at 1.25mM concentration and 305 K have been achieved. The results demonstrate that the hairpin conformer has a structure with two purines I6 and A7 forming a two-base loop on a B-DNA stem. Stacking is continued on the 5'-side of the loop, with the I6 stacked upon C5. The base A7, on the 3'-side of the loop stacks partially with I6. The glycosidic angle for G8 is in the anti domain and it maintains normal Watson-Crick base-pairing with the opposite C5. (author). 28 refs., 7 figs., 2 tabs

  5. Resonance Raman assignment and evidence for noncoupling of individual 2- and 4-vinyl vibrational modes in a monomeric cyanomethemoglobin

    International Nuclear Information System (INIS)

    Gersonde, K.; Yu, N.T.; Lin, S.H.; Smith, K.M.; Parish, D.W.

    1989-01-01

    We have investigated the resonance Raman spectra of monomeric insect cyanomethemoglobins (CTT III and CTT IV) reconstituted with (1) protohemes IX selectively deuterated at the 4-vinyl as well as the 2,4-divinyls, (2) monovinyl-truncated hemes such as pemptoheme (2-hydrogen, 4-vinyl) and isopemptoheme (2-vinyl, 4-hydrogen), (3) symmetric hemes such as protoheme III (with 2- and 3-vinyls) and protoheme XIII (with 1- and 4-vinyls), and (4) hemes without 2- and 4-vinyls such as mesoheme IX, deuteroheme IX, 2,4-dimethyldeuteroheme IX, and 2,4-dibromodeuteroheme IX. Evidence is presented that the highly localized vinyl C = C stretching vibrations at the 2- and 4-positions of the heme in these cyanomet CTT hemoglobins are noncoupled and inequivalent; i.e., the 1631- and 1624-cm-1 lines have been assigned to 2-vinyl and 4-vinyl, respectively. The elimination of the 2-vinyl (in pemptoheme) or the 4-vinyl (in isopemptoheme) does not affect the C = C stretching frequency of the remaining vinyl. Furthermore, two low-frequency vinyl bending modes at 412 and 591 cm-1 exhibit greatly different resonance Raman intensities between 2-vinyl and 4-vinyl. The observed intensity at 412 cm-1 is primarily derived from 4-vinyl, whereas the 591-cm-1 line results exclusively from the 2-vinyl. Again, there is no significant coupling between 2-vinyl and 4-vinyl for these two bending modes

  6. {sup 13}C, {sup 15}N Resonance Assignment of Parts of the HET-s Prion Protein in its Amyloid Form

    Energy Technology Data Exchange (ETDEWEB)

    Siemer, Ansgar B. [Physical Chemistry (Switzerland); Ritter, Christiane [Salk Institute, Structural Biology Laboratory (United States); Steinmetz, Michel O. [Paul Scherrer Institut, Biomolecular Research, Structural Biology (Switzerland); Ernst, Matthias [Physical Chemistry (Switzerland); Riek, Roland [Salk Institute, Structural Biology Laboratory (United States); Meier, Beat H. [Physical Chemistry (Switzerland)

    2006-02-15

    The partial {sup 15}N and {sup 13}C solid-state NMR resonance assignment of the HET-s prion protein fragment 218-289 in its amyloid form is presented. It is based on experiments measured at MAS frequencies in the range of 20-40 kHz using exclusively adiabatic polarization-transfer schemes. The resonance assignment within each residue is based on two-dimensional {sup 13}C--{sup 13}C correlation spectra utilizing the DREAM mixing scheme. The sequential linking of the assigned residues used a set of two- and three-dimensional {sup 15}N--{sup 13}C correlation experiments. Almost all cross peaks visible in the spectra are assigned, but only resonances from 43 of the 78 amino-acid residues could be detected. The missing residues are thought to be highly disordered and/or highly dynamic giving rise to broad resonance lines that escaped detection in the experiments applied. The line widths of the observed resonances are narrow and comparable to line widths observed in micro-crystalline samples. The 43 assigned residues are located in two fragments of about 20 residues.

  7. N-15 analysis by emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1983-12-31

    The stable isotope of nitrogen, N-15, has become widely used as tracer in agriculture, medicine and biology research. The film gives an overview of the sample preparation and analytical procedures followed in the analysis of the nitrogen isotopic composition (14N/15N ratio) by optical emission spectrometry at the Seibersdorf Laboratory. The subsampling of plant material and the several steps of chemical pretreatment such as Kjeldahl digestion, distillation, titration and adjustment of the proper N concentration in the extract are demonstrated. The preparation of the discharge tubes is shown in detail. Final measurement of the 14N/15N ratio is carried out with the NOI-5 and JASCO emission spectrometers

  8. NMR 1H,13C, 15N backbone and 13C side chain resonance assignment of the G12C mutant of human K-Ras bound to GDP.

    Science.gov (United States)

    Sharma, Alok K; Lee, Seung-Joo; Rigby, Alan C; Townson, Sharon A

    2018-05-02

    K-Ras is a key driver of oncogenesis, accounting for approximately 80% of Ras-driven human cancers. The small GTPase cycles between an inactive, GDP-bound and an active, GTP-bound state, regulated by guanine nucleotide exchange factors and GTPase activating proteins, respectively. Activated K-Ras regulates cell proliferation, differentiation and survival by signaling through several effector pathways, including Raf-MAPK. Oncogenic mutations that impair the GTPase activity of K-Ras result in a hyperactivated state, leading to uncontrolled cellular proliferation and tumorogenesis. A cysteine mutation at glycine 12 is commonly found in K-Ras associated cancers, and has become a recent focus for therapeutic intervention. We report here 1 H N, 15 N, and 13 C resonance assignments for the 19.3 kDa (aa 1-169) human K-Ras protein harboring an oncogenic G12C mutation in the GDP-bound form (K-RAS G12C-GDP ), using heteronuclear, multidimensional NMR spectroscopy. Backbone 1 H- 15 N correlations have been assigned for all non-proline residues, except for the first methionine residue.

  9. Backbone resonance assignments for G protein α(i3) subunit in the GDP-bound state.

    Science.gov (United States)

    Mase, Yoko; Yokogawa, Mariko; Osawa, Masanori; Shimada, Ichio

    2014-10-01

    Guanine-nucleotide binding proteins (G proteins) serve as molecular switches in signaling pathways, by coupling the activation of G protein-coupled receptors (GPCRs) at the cell surface to intracellular responses. In the resting state, G protein forms a heterotrimer, consisting of the G protein α subunit with GDP (Gα·GDP) and the G protein βγ subunit (Gβγ). Ligand binding to GPCRs promotes the GDP-GTP exchange on Gα, leading to the dissociation of the GTP-bound form of Gα (Gα·GTP) and Gβγ. Then, Gα·GTP and Gβγ bind to their downstream effector enzymes or ion channels and regulate their activities, leading to a variety of cellular responses. Finally, Gα hydrolyzes the bound GTP to GDP and returns to the resting state by re-associating with Gβγ. The G proteins are classified with four major families based on the amino acid sequences of Gα: i/o, s, q/11, and 12/13. Here, we established the backbone resonance assignments of human Gαi3, a member of the i/o family with a molecular weight of 41 K, in complex with GDP. The chemical shifts were compared with those of Gα(i3) in complex with a GTP-analogue, GTPγS, which we recently reported, indicating that the residues with significant chemical shift differences are mostly consistent with the regions with the structural differences between the GDP- and GTPγS-bound states, as indicated in the crystal structures. The assignments of Gα(i3)·GDP would be useful for the analyses of the dynamics of Gα(i3) and its interactions with various target molecules.

  10. Resonance Assignments and Secondary Structure Analysis of Dynein Light Chain 8 by Magic-angle Spinning NMR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shangjin; Butterworth, Andrew H.; Paramasivam, Sivakumar; Yan, Si; Lightcap, Christine M.; Williams, John C.; Polenova, Tatyana E.

    2011-08-04

    Dynein light chain LC8 is the smallest subunit of the dynein motor complex and has been shown to play important roles in both dynein-dependent and dynein-independent physiological functions via its interaction with a number of its binding partners. It has also been linked to pathogenesis including roles in viral infections and tumorigenesis. Structural information for LC8-target proteins is critical to understanding the underlying function of LC8 in these complexes. However, some LC8-target interactions are not amenable to structural characterization by conventional structural biology techniques owing to their large size, low solubility, and crystallization difficulties. Here, we report magic-angle spinning (MAS) NMR studies of the homodimeric apo-LC8 protein as a first effort in addressing more complex, multi-partner, LC8-based protein assemblies. We have established site-specific backbone and side-chain resonance assignments for the majority of the residues of LC8, and show TALOS+-predicted torsion angles ø and ψ in close agreement with most residues in the published LC8 crystal structure. Data obtained through these studies will provide the first step toward using MAS NMR to examine the LC8 structure, which will eventually be used to investigate protein–protein interactions in larger systems that cannot be determined by conventional structural studies.

  11. Solid state NMR sequential resonance assignments and conformational analysis of the 2x10.4 kDa dimeric form of the Bacillus subtilis protein Crh

    Energy Technology Data Exchange (ETDEWEB)

    Boeckmann, Anja [Institut de Biologie et Chimie des Proteines, C.N.R.S UMR 5086 (France)], E-mail: a.bockmann@ibcp.fr; Lange, Adam [Max-Planck-Institute for Biophysical Chemistry, Solid-state NMR (Germany); Galinier, Anne [Institut de Biologie Structurale et Microbiologie, C.N.R.S UPR 9043 (France); Luca, Sorin [Max-Planck-Institute for Biophysical Chemistry, Solid-state NMR (Germany); Giraud, Nicolas; Juy, Michel [Institut de Biologie et Chimie des Proteines, C.N.R.S UMR 5086 (France); Heise, Henrike [Max-Planck-Institute for Biophysical Chemistry, Solid-state NMR (Germany); Montserret, Roland; Penin, Francois [Institut de Biologie et Chimie des Proteines, C.N.R.S UMR 5086 (France); Baldus, Marc [Max-Planck-Institute for Biophysical Chemistry, Solid-state NMR (Germany)], E-mail: maba@mpibpc.mpg.de

    2003-12-15

    Solid state NMR sample preparation and resonance assignments of the U-[{sup 13}C,{sup 15}N] 2x10.4 kDa dimeric form of the regulatory protein Crh in microcrystalline, PEG precipitated form are presented. Intra- and interresidue correlations using dipolar polarization transfer methods led to nearly complete sequential assignments of the protein, and to 88% of all {sup 15}N, {sup 13}C chemical shifts. For several residues, the resonance assignments differ significantly from those reported for the monomeric form analyzed by solution state NMR. Dihedral angles obtained from a TALOS-based statistical analysis suggest that the microcrystalline arrangement of Crh must be similar to the domain-swapped dimeric structure of a single crystal form recently solved using X-ray crystallography. For a limited number of protein residues, a remarkable doubling of the observed NMR resonances is observed indicative of local static or dynamic conformational disorder. Our study reports resonance assignments for the largest protein investigated by solid state NMR so far and describes the conformational dimeric variant of Crh with previously unknown chemical shifts.

  12. Synthesis of 24-methyl sterols sterospecifically labelled with 2H in the isopropyl methyl groups. 13C NMR spectral assignment of C-26 and C-27 resonances

    International Nuclear Information System (INIS)

    Colombo, D.; Ronchetti, F.; Toma, L.

    1990-01-01

    Through analysis of the 13 C NMR spectra of (25S)-[27- 2 H]campesterol (1) and (25R)-[26- 2 H]dihydrobrassicasterol (2), the C-26 and C-27 resonances have been unambiguously assigned; the biosynthetic applications are discussed. (author)

  13. Resonance assignments of the myristoylated Y28F/Y67F mutant of the Mason-Pfizer monkey virus matrix protein

    Czech Academy of Sciences Publication Activity Database

    Doležal, Michal; Hrabal, R.; Ruml, T.; Rumlová, Michaela

    2015-01-01

    Roč. 9, č. 2 (2015), s. 229-233 ISSN 1874-2718 Institutional support: RVO:61388963 Keywords : isotopic labeling * matrix protein * M-PMV * myristoylation * resonance assignment * reverse labeling Subject RIV: CE - Biochemistry Impact factor: 0.687, year: 2015

  14. Assignment of 1H, 13C, and 15N resonances of WT matrix protein and its R55F mutant from Mason-Pfizer monkey virus

    Czech Academy of Sciences Publication Activity Database

    Vlach, J.; Lipov, J.; Veverka, V.; Rumlová, Michaela; Ruml, T.; Hrabal, R.

    2005-01-01

    Roč. 31, - (2005), s. 381-382 ISSN 0925-2738 R&D Projects: GA ČR GA203/03/0490 Institutional research plan: CEZ:AV0Z4055905 Keywords : Mason-Pfizer monkey virus * NMR resonance assignment * matrix protein Subject RIV: CE - Biochemistry Impact factor: 2.180, year: 2005

  15. Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods

    Energy Technology Data Exchange (ETDEWEB)

    Penzel, Susanne; Smith, Albert A.; Agarwal, Vipin; Hunkeler, Andreas [ETH Zürich, Physical Chemistry (Switzerland); Org, Mai-Liis; Samoson, Ago, E-mail: ago.samoson@ttu.ee [Tallinn University of Technology, NMR Instituut, Tartu Teadus, Tehnomeedikum (Estonia); Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Université de Lyon 1, Institut de Biologie et Chimie des Protéines (France); Ernst, Matthias, E-mail: maer@ethz.ch; Meier, Beat H., E-mail: beme@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

    2015-10-15

    We discuss the optimum experimental conditions to obtain assignment spectra for solid proteins at magic-angle spinning (MAS) frequencies around 100 kHz. We present a systematic examination of the MAS dependence of the amide proton T{sub 2}′ times and a site-specific comparison of T{sub 2}′ at 93 kHz versus 60 kHz MAS frequency. A quantitative analysis of transfer efficiencies of building blocks, as they are used for typical 3D experiments, was performed. To do this, we compared dipolar-coupling and J-coupling based transfer steps. The building blocks were then combined into 3D experiments for sequential resonance assignment, where we evaluated signal-to-noise ratio and information content of the different 3D spectra in order to identify the best assignment strategy. Based on this comparison, six experiments were selected to optimally assign the model protein ubiquitin, solely using spectra acquired at 93 kHz MAS. Within 3 days of instrument time, the required spectra were recorded from which the backbone resonances have been assigned to over 96 %.

  16. Assignment of hyperfine shifted haem methyl carbon resonances in paramagnetic low-spin met-cyano complex of sperm whale myoglobin

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Yasuhiko

    1987-09-28

    The hyperfine shifted resonances arising from all four individual haem carbons of the paramagnetic low-spin met-cyano complex of sperm whale myoglobin have been clearly identified and assigned for the first time with the aid of /sup 1/H-/sup 13/C heteronuclear chemical shift correlated spectroscopy. Alteration of the in-plane symmetry of the electronic structure of haem induced by the ligation of proximal histidyl imidazole spreads the haem carbon resonances to 32 ppm at 22/sup 0/C, indicating the sensitivity of those resonances to the haem electronic/molecular structure. Those resonances are potentially powerful probes in characterizing the nature of haem electronic structure. 25 refs.; 2 figs.; 1 table.

  17. N-15-labelled pyrazines of triterpenic acids

    Czech Academy of Sciences Publication Activity Database

    Vlk, M.; Mičolová, P.; Urban, M.; Kvasnica, Miroslav; Šaman, David; Šarek, J.

    2016-01-01

    Roč. 308, č. 2 (2016), s. 733-739 ISSN 0236-5731 R&D Projects: GA ČR GJ15-08202Y; GA MŠk(CZ) LO1304; GA MŠk(CZ) LO1204 Grant - others:GA MŠk(CZ) LK21310; GA TA ČR(CZ) TA03010027; CTU(CZ) SGS15/094/OHK4/1T/14 Institutional support: RVO:61389030 ; RVO:61388963 Keywords : N-15 * Triterpenic acid * Isotopic labelling Subject RIV: CC - Organic Chemistry Impact factor: 1.282, year: 2016

  18. Resonance assignment of disordered protein with repetitive and overlapping sequence using combinatorial approach reveals initial structural propensities and local restrictions in the denatured state

    Energy Technology Data Exchange (ETDEWEB)

    Malik, Nikita; Kumar, Ashutosh, E-mail: askutoshk@iitb.ac.in [Indian Institute of Technology Bombay, Department of Bioscience and Bioengineering (India)

    2016-09-15

    NMR resonance assignment of intrinsically disordered proteins poses a challenge because of the limited dispersion of amide proton chemical shifts. This becomes even more complex with the increase in the size of the system. Residue specific selective labeling/unlabeling experiments have been used to resolve the overlap, but require multiple sample preparations. Here, we demonstrate an assignment strategy requiring only a single sample of uniformly labeled {sup 13}C,{sup 15}N-protein. We have used a combinatorial approach, involving 3D-HNN, CC(CO)NH and 2D-MUSIC, which allowed us to assign a denatured centromeric protein Cse4 of 229 residues. Further, we show that even the less sensitive experiments, when used in an efficient manner can lead to the complete assignment of a complex system without the use of specialized probes in a relatively short time frame. The assignment of the amino acids discloses the presence of local structural propensities even in the denatured state accompanied by restricted motion in certain regions that provides insights into the early folding events of the protein.

  19. Resonance assignment of disordered protein with repetitive and overlapping sequence using combinatorial approach reveals initial structural propensities and local restrictions in the denatured state

    International Nuclear Information System (INIS)

    Malik, Nikita; Kumar, Ashutosh

    2016-01-01

    NMR resonance assignment of intrinsically disordered proteins poses a challenge because of the limited dispersion of amide proton chemical shifts. This becomes even more complex with the increase in the size of the system. Residue specific selective labeling/unlabeling experiments have been used to resolve the overlap, but require multiple sample preparations. Here, we demonstrate an assignment strategy requiring only a single sample of uniformly labeled "1"3C,"1"5N-protein. We have used a combinatorial approach, involving 3D-HNN, CC(CO)NH and 2D-MUSIC, which allowed us to assign a denatured centromeric protein Cse4 of 229 residues. Further, we show that even the less sensitive experiments, when used in an efficient manner can lead to the complete assignment of a complex system without the use of specialized probes in a relatively short time frame. The assignment of the amino acids discloses the presence of local structural propensities even in the denatured state accompanied by restricted motion in certain regions that provides insights into the early folding events of the protein.

  20. Complete assignment of the methionyl carbonyl carbon resonance in switch variant anti-dansyl antibodies labeled with (1- sup 13 C)methionine

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Koichi; Matsunaga, C.; Igarashi, Takako; Kim, Hahyung; Odaka, Asano; Shimada, Ichio; Arata, Yoji (Univ. of Tokyo, Hongo (Japan))

    1991-01-01

    A {sup 13}C NMR study is reported of switch variant anti-dansyl antibodies developed by Dangl et al. who had used the fluorescence-activated cell sorter to select and clone these variants. These switch variant antibodies possess the identical V{sub H}, V{sub L}, and C{sub L} domains in conjunction with different heavy chain constant regions. In the present study, switch variant antibodies of IgG1, IgG2a, and IgG2b subclasses were used along with a short-chain IgG2a antibody, in which the entire C{sub H}1 domain is deleted. The switch variant antibodies were specifically labeled with (1-{sup 13}C)methionine by growing hybridoma cells in serum-free medium. Assignments of all the methionyl carbonyl carbon resonances have been completed by using the intact antibodies along with their fragments and recombined proteins in which either heavy or light chain is labeled. A double labeling method has played a crucial role in the process of the spectral assignments. The strategy used for the assignments has been described in detail. In incorporating {sup 15}N-labeled amino acids into the antibodies for the double labeling, isotope dilution caused a serious problem except in the cases of ({alpha}-{sup 15}N)lysine and ({sup 15}N)threonine, both of which cannot become the substrate of transaminases. It was found that {beta}-chloro-L-alanine is most effective in suppressing the isotope scrambling. So far, spectral assignments by the double labeling method have been possible with {sup 15}N-labeled Ala, His, Ile, Lys, Met, Ser, Thr, Tyr, and Val. On the basis of the results of the present {sup 13}C study, possible use of the assigned carbonyl carbon resonances for the elucidation of the structure-function relationship in the antibody system has been briefly discussed.

  1. Complete assignment of the methionyl carbonyl carbon resonance in switch variant anti-dansyl antibodies labeled with [1-13C]methionine

    International Nuclear Information System (INIS)

    Kato, Koichi; Matsunaga, C.; Igarashi, Takako; Kim, Hahyung; Odaka, Asano; Shimada, Ichio; Arata, Yoji

    1991-01-01

    A 13 C NMR study is reported of switch variant anti-dansyl antibodies developed by Dangl et al. who had used the fluorescence-activated cell sorter to select and clone these variants. These switch variant antibodies possess the identical V H , V L , and C L domains in conjunction with different heavy chain constant regions. In the present study, switch variant antibodies of IgG1, IgG2a, and IgG2b subclasses were used along with a short-chain IgG2a antibody, in which the entire C H 1 domain is deleted. The switch variant antibodies were specifically labeled with [1- 13 C]methionine by growing hybridoma cells in serum-free medium. Assignments of all the methionyl carbonyl carbon resonances have been completed by using the intact antibodies along with their fragments and recombined proteins in which either heavy or light chain is labeled. A double labeling method has played a crucial role in the process of the spectral assignments. The strategy used for the assignments has been described in detail. In incorporating 15 N-labeled amino acids into the antibodies for the double labeling, isotope dilution caused a serious problem except in the cases of [α- 15 N]lysine and [ 15 N]threonine, both of which cannot become the substrate of transaminases. It was found that β-chloro-L-alanine is most effective in suppressing the isotope scrambling. So far, spectral assignments by the double labeling method have been possible with 15 N-labeled Ala, His, Ile, Lys, Met, Ser, Thr, Tyr, and Val. On the basis of the results of the present 13 C study, possible use of the assigned carbonyl carbon resonances for the elucidation of the structure-function relationship in the antibody system has been briefly discussed

  2. Assignment of histidine resonances in the 1H NMR (500 MHz) spectrum of subtilisin BPN' using site-directed mutagenesis

    International Nuclear Information System (INIS)

    Bycroft, M.; Fersht, A.R.

    1988-01-01

    A spin-echo pulse sequence has been used to resolve the six histidine C-2H protons in the 500-MHz NMR spectrum of subtilisin BPN'. Five of these residues have been substituted by site-directed mutagenesis, and this has enabled a complete assignment of these protons to be obtained. Analysis of the pH titration curves of these signals has provided microscopic pK a 's for the six histidines in this enzyme. The pK a 's of the histidine residues in subtilisin BPN' have been compared with the values obtained for the histidines in the homologous enzyme from Bacillus licheniformis (subtilisin Carlsberg). Four of the five conserved histidines titrate with essentially identical pK a 's in the two enzymes. It therefore appears that the assignments made for these residues in subtilisin BPN' can be transferred to subtilisin Carlsberg. On the basis of these assignments, the one histidine that titrates with a substantially different pK a in the two enzymes can be assigned to histidine-238. This difference in pK a has been attributed to a Trp to Lys substitution at position 241 in subtilisin Carlsberg

  3. Mannitol as a Potential Pitfall for Peak Assignment on Magnetic Resonance Spectra (MRS) for Brain Tumors: A Case Report

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jee Young; Ahn, Kook Jin; Yu, Won Jong; Kim, Bum Soo [Catholic University, Seoul (Korea, Republic of); Park, Ik Sung [Catholic University, Bucheon St. Mary' s Hospital, Bucheon (Korea, Republic of)

    2009-06-15

    Mannitol is a xenobiotic commonly used for the control of brain edema in patients with brain tumors. Although not typically identifiable with the use of routine proton magnetic resonance spectroscopy (MRS), we report a case where the mannitol peak was clearly visible on the MR spectra of a recurrent meningioma.

  4. Five and four dimensional experiments for robust backbone resonance assignment of large intrinsically disordered proteins: application to Tau3x protein

    International Nuclear Information System (INIS)

    Żerko, Szymon; Byrski, Piotr; Włodarczyk-Pruszyński, Paweł; Górka, Michał; Ledolter, Karin; Masliah, Eliezer; Konrat, Robert; Koźmiński, Wiktor

    2016-01-01

    New experiments dedicated for large IDPs backbone resonance assignment are presented. The most distinctive feature of all described techniques is the employment of MOCCA-XY16 mixing sequences to obtain effective magnetization transfers between carbonyl carbon backbone nuclei. The proposed 4 and 5 dimensional experiments provide a high dispersion of obtained signals making them suitable for use in the case of large IDPs (application to 354 a. a. residues of Tau protein 3x isoform is presented) as well as provide both forward and backward connectivities. What is more, connecting short chains interrupted with proline residues is also possible. All the experiments employ non-uniform sampling.

  5. Five and four dimensional experiments for robust backbone resonance assignment of large intrinsically disordered proteins: application to Tau3x protein

    Energy Technology Data Exchange (ETDEWEB)

    Żerko, Szymon; Byrski, Piotr; Włodarczyk-Pruszyński, Paweł; Górka, Michał [University of Warsaw, Faculty of Chemistry, Biological and Chemical Research Centre (Poland); Ledolter, Karin [University of Vienna, Department of Computational and Structural Biology, Max F. Perutz Laboratories (Austria); Masliah, Eliezer [University of California, San Diego, Departments of Neuroscience and Pathology (United States); Konrat, Robert [University of Vienna, Department of Computational and Structural Biology, Max F. Perutz Laboratories (Austria); Koźmiński, Wiktor, E-mail: kozmin@chem.uw.edu.pl [University of Warsaw, Faculty of Chemistry, Biological and Chemical Research Centre (Poland)

    2016-08-15

    New experiments dedicated for large IDPs backbone resonance assignment are presented. The most distinctive feature of all described techniques is the employment of MOCCA-XY16 mixing sequences to obtain effective magnetization transfers between carbonyl carbon backbone nuclei. The proposed 4 and 5 dimensional experiments provide a high dispersion of obtained signals making them suitable for use in the case of large IDPs (application to 354 a. a. residues of Tau protein 3x isoform is presented) as well as provide both forward and backward connectivities. What is more, connecting short chains interrupted with proline residues is also possible. All the experiments employ non-uniform sampling.

  6. A high quality nuclear magnetic resonance solution structure of peptide deformylase from Escherichia coli: application of an automated assignment strategy using GARANT.

    Science.gov (United States)

    O'Connell, J F; Pryor, K D; Grant, S K; Leiting, B

    1999-04-01

    The NMR structure of the peptide deformylase (PDF) (1-150) from Escherichia coli, which is an essential enzyme that removes the formyl group from nascent polypeptides and represents a potential target for drug discovery, was determined using 15N/13C doubly labeled protein. Nearly completely automated assignment routines were employed to assign three-dimensional triple resonance, 15N-resolved and 13C-resolved NOESY spectra using the program GARANT. This assignment strategy, demonstrated on a 17 kDa protein, is a significant advance in the automation of NMR data assignment and structure determination that will accelerate future work. A total of 2302 conformational constraints were collected as input for the distance geometry program DYANA. After restrained energy minimization with the program X-PLOR the 20 best conformers characterize a high quality structure with an average of 0.43 A for the root-mean-square deviation calculated from the backbone atoms N, C alpha and C', and 0.81 A for all heavy atoms of the individual conformers relative to the mean coordinates for residues 1 to 150. The globular fold of PDF contains two alpha-helices comprising residues 25-40, 125-138, six beta-strands 57-60, 70-77, 85-88, 98-101, 105-111, 117-123 and one 3(10) helix comprising residues 49-51. The C-terminal helix contains the HEXXH motif positioning a zinc ligand in a similar fashion to other metalloproteases, with the third ligand being cysteine and the fourth presumably a water. The three-dimensional structure of PDF affords insight into the substrate recognition and specificity for N-formylated over N-acetylated substrates and is compared to other PDF structures.

  7. A high quality nuclear magnetic resonance solution structure of peptide deformylase from Escherichia coli: Application of an automated assignment strategy using GARANT

    International Nuclear Information System (INIS)

    O'Connell, John F.; Pryor, KellyAnn D.; Grant, Stephan K.; Leiting, Barbara

    1999-01-01

    The NMR structure of the peptide deformylase (PDF) (1-150) from Escherichia coli, which is an essential enzyme that removes the formyl group from nascent polypeptides and represents a potential target for drug discovery, was determined using 15N/13C doubly labeled protein. Nearly completely automated assignment routines were employed to assign three-dimensional triple resonance, 15N-resolved and 13C-resolved NOESY spectra using the program GARANT. This assignment strategy, demonstrated on a 17 kDa protein, is a significant advance in the automation of NMR data assignment and structure determination that will accelerate future work. A total of 2302 conformational constraints were collected as input for the distance geometry program DYANA. After restrained energy minimization with the program X-PLOR the 20 best conformers characterize a high quality structure with an average of 0.43 A for the root-mean-square deviation calculated from the backbone atoms N, Cα and C', and 0.81 A for all heavy atoms of the individual conformers relative to the mean coordinates for residues 1 to 150. The globular fold of PDF contains two α-helices comprising residues 25-40, 125-138, six β-strands 57-60, 70-77, 85-88, 98-101, 105-111, 117-123 and one 310 helix comprising residues 49-51. The C-terminal helix contains the HEXXH motif positioning a zinc ligand in a similar fashion to other metalloproteases, with the third ligand being cysteine and the fourth presumably a water. The three-dimensional structure of PDF affords insight into the substrate recognition and specificity for N-formylated over N-acetylated substrates and is compared to other PDF structures

  8. Two-dimensional NMR and photo-CIDNP studies of the insulin monomer: Assignment of aromatic resonances with application to protein folding, structure, and dynamics

    International Nuclear Information System (INIS)

    Weiss, M.A.; Shoelson, S.E.; Nguyen, D.T.; O'Shea, E.; Karplus, M.; Khait, I.; Neuringer, L.J.; Inouye, K.; Frank, B.H.; Beckage, M.

    1989-01-01

    The aromatic 1 H NMR resonances of the insulin monomer are assigned at 500 MHz by comparative studies of chemically modified and genetically altered variants, including a mutant insulin (PheB25 → Leu) associated with diabetes mellitus. The two histidines, three phenylalanines, and four tyrosines are observed to be in distinct local environments; their assignment provides sensitive markers for studies of tertiary structure, protein dynamics, and protein folding. The environments of the tyrosine residues have also been investigated by photochemically induced dynamic nuclear polarization (photo-CIDNP) and analyzed in relation to packing constrains in the crystal structures of insulin. Dimerization involving specific B-chain interactions is observed with increasing protein concentration and is shown to depend on temperature, pH, and solvent composition. The differences between proinsulin and mini-proinsulin suggest a structural mechanism for the observation that the fully reduced B29-A1 analogue folds more efficiently than proinsulin to form the correct pattern of disulfide bonds. These results are discussed in relation to molecular mechanics calculations of insulin based on the available crystal structures

  9. 1H, 15N, and 13C resonance assignments of the third domain from the S. aureus innate immune evasion protein Eap.

    Science.gov (United States)

    Herrera, Alvaro I; Ploscariu, Nicoleta T; Geisbrecht, Brian V; Prakash, Om

    2018-04-01

    Staphylococcus aureus is a widespread and persistent pathogen of humans and livestock. The bacterium expresses a wide variety of virulence proteins, many of which serve to disrupt the host's innate immune system from recognizing and clearing bacteria with optimal efficiency. The extracellular adherence protein (Eap) is a multidomain protein that participates in various protein-protein interactions that inhibit the innate immune response, including both the complement system (Woehl et al in J Immunol 193:6161-6171, 2014) and Neutrophil Serine Proteases (NSPs) (Stapels et al in Proc Natl Acad Sci USA 111:13187-13192, 2014). The third domain of Eap, Eap3, is an ~ 11 kDa protein that was recently shown to bind complement component C4b (Woehl et al in Protein Sci 26:1595-1608, 2017) and therefore play an essential role in inhibiting the classical and lectin pathways of complement (Woehl et al in J Immunol 193:6161-6171, 2014). Since structural characterization of Eap3 is still incomplete, we acquired a series of 2D and 3D NMR spectra of Eap3 in solution. Here we report the backbone and side-chain 1 H, 15 N, and 13 C resonance assignments of Eap3 and its predicted secondary structure via the TALOS-N server. The assignment data have been deposited in the BMRB data bank under accession number 27087.

  10. Novel DNA packaging recognition in the unusual bacteriophage N15

    Energy Technology Data Exchange (ETDEWEB)

    Feiss, Michael [Department of Microbiology, Roy J. and Lucille A. Carver College of Medicine, University of Iowa, Iowa City, IA 52242 (United States); Geyer, Henriette, E-mail: henriettegeyer@gmail.com [Division of Viral Infections, Robert Koch Institute, Berlin (Germany); Division of Viral Infections, Robert Koch Institute, Berlin (Germany); Klingberg, Franco, E-mail: franco.klingberg@thermofisher.com [Flow Cytometry, Imaging & Microscopy, Thermo Fisher Scientific, Frankfurter Strasse 129B 64293 Darmstadt (Germany); Flow Cytometry, Imaging & Microscopy, Thermo Fisher Scientific, Frankfurter Strasse 129B 64293 Darmstadt (Germany); Moreno, Norma, E-mail: nmoreno@islander.tamucc.edu [Texas A& M University – Corpus Christi, 6300 Ocean Drive, Corpus Christi, TX 78412, United States. (United States); Texas A& M University – Corpus Christi, 6300 Ocean Drive, Corpus Christi, TX 78412, United States. (United States); Forystek, Amanda, E-mail: eamanda-forystek@uiowa.edu [Flow Cytometry, Imaging & Microscopy, Thermo Fisher Scientific, Frankfurter Strasse 129B 64293 Darmstadt (Germany); Room # 2911 JPP, Dept. of Psychiatry, The University of Iowa, 200 Hawkins Drive, Iowa City, Iowa, 52242 (United States); Maluf, Nasib Karl, E-mail: fKarl.Maluf@ap-lab.com [Flow Cytometry, Imaging & Microscopy, Thermo Fisher Scientific, Frankfurter Strasse 129B 64293 Darmstadt (Germany); Alliance Protein Laboratories, Inc. 6042 Cornerstone Court West, Suite ASan Diego, CA 92121, USA. (United States); Sippy, Jean [Department of Microbiology, Roy J. and Lucille A. Carver College of Medicine, University of Iowa, Iowa City, IA 52242 (United States)

    2015-08-15

    Phage lambda's cosB packaging recognition site is tripartite, consisting of 3 TerS binding sites, called R sequences. TerS binding to the critical R3 site positions the TerL endonuclease for nicking cosN to generate cohesive ends. The N15 cos (cos{sup N15}) is closely related to cos{sup λ}, but whereas the cosB{sup N15} subsite has R3, it lacks the R2 and R1 sites and the IHF binding site of cosB{sup λ}. A bioinformatic study of N15-like phages indicates that cosB{sup N15} also has an accessory, remote rR2 site, which is proposed to increase packaging efficiency, like R2 and R1 of lambda. N15 plus five prophages all have the rR2 sequence, which is located in the TerS-encoding 1 gene, approximately 200 bp distal to R3. An additional set of four highly related prophages, exemplified by Monarch, has R3 sequence, but also has R2 and R1 sequences characteristic of cosB–λ. The DNA binding domain of TerS-N15 is a dimer. - Highlights: • There are two classes of DNA packaging signals in N15-related phages. • Phage N15's TerS binding site: a critical site and a possible remote accessory site. • Viral DNA recognition signals by the λ-like bacteriophages: the odd case of N15.

  11. Nuclear resonance vibrational spectroscopy applied to [Fe(OEP)(NO)]: the vibrational assignments of five-coordinate ferrous heme-nitrosyls and implications for electronic structure.

    Science.gov (United States)

    Lehnert, Nicolai; Galinato, Mary Grace I; Paulat, Florian; Richter-Addo, George B; Sturhahn, Wolfgang; Xu, Nan; Zhao, Jiyong

    2010-05-03

    This study presents Nuclear Resonance Vibrational Spectroscopy (NRVS) data on the five-coordinate (5C) ferrous heme-nitrosyl complex [Fe(OEP)(NO)] (1, OEP(2-) = octaethylporphyrinato dianion) and the corresponding (15)N(18)O labeled complex. The obtained spectra identify two isotope sensitive features at 522 and 388 cm(-1), which shift to 508 and 381 cm(-1), respectively, upon isotope labeling. These features are assigned to the Fe-NO stretch nu(Fe-NO) and the in-plane Fe-N-O bending mode delta(ip)(Fe-N-O), the latter has been unambiguously assigned for the first time for 1. The obtained NRVS data were simulated using our quantum chemistry centered normal coordinate analysis (QCC-NCA). Since complex 1 can potentially exist in 12 different conformations involving the FeNO and peripheral ethyl orientations, extended density functional theory (DFT) calculations and QCC-NCA simulations were performed to determine how these conformations affect the NRVS properties of [Fe(OEP)NO]. These results show that the properties and force constants of the FeNO unit are hardly affected by the conformational changes involving the ethyl substituents. On the other hand, the NRVS-active porphyrin-based vibrations around 340-360, 300-320, and 250-270 cm(-1) are sensitive to the conformational changes. The spectroscopic changes observed in these regions are due to selective mechanical couplings of one component of E(u)-type (in ideal D(4h) symmetry) porphyrin-based vibrations with the in-plane Fe-N-O bending mode. This leads to the observed variations in Fe(OEP) core mode energies and NRVS intensities without affecting the properties of the FeNO unit. The QCC-NCA simulated NRVS spectra of 1 show excellent agreement with experiment, and indicate that conformer F is likely present in the samples of this complex investigated here. The observed porphyrin-based vibrations in the NRVS spectra of 1 are also assigned based on the QCC-NCA results. The obtained force constants of the Fe-NO and N

  12. 1H, 15N and 13C resonance assignments of the J-domain of co-chaperone Sis1 from Saccharomyces cerevisiae.

    Science.gov (United States)

    Pinheiro, Glaucia M S; Amorim, Gisele C; Iqbal, Anwar; Ramos, C H I; Almeida, Fabio C L

    2018-04-30

    Protein folding in the cell is usually aided by molecular chaperones, from which the Hsp70 (Hsp = heat shock protein) family has many important roles, such as aiding nascent folding and participating in translocation. Hsp70 has ATPase activity which is stimulated by binding to the J-domain present in co-chaperones from the Hsp40 family. Hsp40s have many functions, as for instance the binding to partially folded proteins to be delivered to Hsp70. However, the presence of the J-domain characterizes Hsp40s or, by this reason, as J-proteins. The J-domain alone can stimulate Hsp70 ATPase activity. Apparently, it also maintains the same conformation as in the whole protein although structural information on full J-proteins is still missing. This work reports the 1 H, 15 N and 13 C resonance assignments of the J-domain of a Hsp40 from Saccharomyces cerevisiae, named Sis1. Secondary structure and order parameter prediction from chemical shifts are also reported. Altogether, the data show that Sis1 J-domain is highly structured and predominantly formed by α-helices, results that are in very good agreement with those previously reported for the crystallographic structure.

  13. NMR experiments for resonance assignments of 13C, 15N doubly-labeled flexible polypeptides: Application to the human prion protein hPrP(23-230)

    International Nuclear Information System (INIS)

    Liu Aizhuo; Riek, Roland; Wider, Gerhard; Schroetter, Christine von; Zahn, Ralph; Wuethrich, Kurt

    2000-01-01

    A combination of three heteronuclear three-dimensional NMR experiments tailored for sequential resonance assignments in uniformly 15 N, 13 C-labeled flexible polypeptide chains is described. The 3D (H)N(CO-TOCSY)NH, 3D (H)CA(CO-TOCSY)NH and 3D (H)CBCA(CO-TOCSY)NH schemes make use of the favorable 15 N chemical shift dispersion in unfolded polypeptides, exploit the slow transverse 15 N relaxation rates of unfolded polypeptides in high resolution constant-time [ 1 H, 15 N]-correlation experiments, and use carbonyl carbon homonuclear isotropic mixing to transfer magnetization sequentially along the amino acid sequence. Practical applications are demonstrated with the 100-residue flexible tail of the recombinant human prion protein, making use of spectral resolution up to 0.6 Hz in the 15 N dimension, simultaneous correlation with the two adjacent amino acid residues to overcome problems associated with spectral overlap, and the potential of the presently described experiments to establish nearest-neighbor correlations across proline residues in the amino acid sequence

  14. Schostakowitsch: Sinfonie N15, Op. 141 / Hanspeter Krellmann

    Index Scriptorium Estoniae

    Krellmann, Hanspeter

    1990-01-01

    Uuest heliplaadist "Schostakowitsch: Sinfonie N15, Op. 141, Oktober, Op. 131, Ouvertüre über russische und kirgisische Volksthemen, Op. 115. Göteborger Sinfonie-Orchester, Neeme Järvi". DG CD 427 616-2

  15. Multinuclear NMR resonance assignments and the secondary structure of Escherichia coli thioesterase/protease I: A member of a new subclass of lipolytic enzymes

    International Nuclear Information System (INIS)

    Lin Tahsien; Chen Chinpan; Huang Rongfong; Lee Yalin; Shaw Jeifu; Huang Taihuang

    1998-01-01

    Escherichia coli thioesterase/protease I is a 183 amino acid protein with a molecular mass of 20500. This protein belongs to a new subclass of lipolytic enzymes of the serine protease superfamily, but with a new GDSLS consensus motif, of which no structure has yet been determined. The protein forms a tetramer at pH values above 6.5 and exists as a monomer at lower pH values. Both monomer and tetramer are catalytically active. From analysis of a set of heteronuclear multidimensional NMR spectra with uniform and specific amino acid labeled protein samples, we have obtained near-complete resonance assignments of the backbone 1 H, 13 C and 15 N nuclei (BMRB databank accession number 4060). The secondary structure of E. coli thioesterase/protease I was further deduced from the consensus chemical shift indices, backbone short- and medium-range NOEs, and amide proton exchange rates. The protein was found to consist of four β-strands and seven α-helices, arranged in alternate order. The four β-strands were shown to form a parallel β-sheet. The topological arrangement of the β-strands of -1x, +2x, +1x appears to resemble that of the core region of the αβ hydrolase superfamily, typically found in common lipases and esterases. However, substantial differences, such as the number of β-strands and the location of the catalytic triad residues, make it difficult to give a definitive classification of the structure of E. coli thioesterase/protease I at present

  16. Accredited Standards Committee N15 Developments And Future Directions

    International Nuclear Information System (INIS)

    Mathews, Caroline E.; May, Melanie; Preston, Lynne

    2009-01-01

    Accredited Standards Committee (ASC) N15, Methods of Nuclear Material Control, is sponsored by the Institute of Nuclear Materials Management (INMM) to develop standards for protection, control and accounting of special nuclear materials in all phases of the nuclear fuel cycle, including analytical procedures where necessary and special to this purpose, except that physical protection of special nuclear material within a nuclear power plant is not included. Voluntary consensus standards complement federal regulations and technical standards and fulfill an important role for the nuclear regulatory agencies. This paper describes the N15 standards development process, with INMM as the Standards Developing Organization (SDO) and the N15 Committee responsible for implementation. Key components of the N15 standards development process include ANSI accreditation; compliance with the ANSI Essential Requirements (ER), coordination with other SDOs, communication with stakeholders, maintenance of balance between interest categories, and ANSI periodic audits. Recent and future ASC N15 activities are discussed, with a particular focus on new directions in anticipation of renewed growth in nuclear power.

  17. Sequence-specific {sup 1}H, {sup 13}C, and {sup 15}N resonance assignments for intestinal fatty-acid-binding protein complexed with palmitate (15.4 kDA)

    Energy Technology Data Exchange (ETDEWEB)

    Hodsdon, M.E.; Toner, J.J.; Cistola, D.P. [Washington Univ. School of Medicine, St. Louis, MO (United States)

    1994-12-01

    Intestinal fatty-acid-binding protein (I-FABP) belongs to a family of soluble, cytoplasmic proteins that are thought to function in the intracellular transport and trafficking of polar lipids. Individual members of this protein family have distinct specificities and affinities for fatty acids, cholesterol, bile salts, and retinoids. We are comparing several retinol- and fatty-acid-binding proteins from intestine in order to define the factors that control molecular recognition in this family of proteins. We have established sequential resonance assignments for uniformly {sup 13}C/{sup 15}N-enriched I-FABP complexed with perdeuterated palmitate at pH7.2 and 37{degrees}C. The assignment strategy was similar to that introduced for calmodulin. We employed seven three-dimensional NMR experiments to establish scalar couplings between backbone and sidechain atoms. Backbone atoms were correlated using triple-resonance HNCO, HNCA, TOCSY-HMQC, HCACO, and HCA(CO)N experiments. Sidechain atoms were correlated using CC-TOCSY, HCCH-TOCSY, and TOCSY-HMQC. The correlations of peaks between three-dimensional spectra were established in a computer-assisted manner using NMR COMPASS (Molecular Simulations, Inc.) Using this approach, {sup 1}H, {sup 13}C, and {sup 15}N resonance assignments have been established for 120 of the 131 residues of I-FABP. For 18 residues, amide {sup 1}H and {sup 15}N resonances were unobservable, apparently because of the rapid exchange of amide protons with bulk water at pH 7.2. The missing amide protons correspond to distinct amino acid patterns in the protein sequence, which will be discussed. During the assignment process, several sources of ambiguity in spin correlations were observed. To overcome this ambiguity, the additional inter-residue correlations often observed in the HNCA experiment were used as cross-checks for the sequential backbone assignments.

  18. A general assignment method for oriented sample (OS) solid-state NMR of proteins based on the correlation of resonances through heteronuclear dipolar couplings in samples aligned parallel and perpendicular to the magnetic field.

    Science.gov (United States)

    Lu, George J; Son, Woo Sung; Opella, Stanley J

    2011-04-01

    A general method for assigning oriented sample (OS) solid-state NMR spectra of proteins is demonstrated. In principle, this method requires only a single sample of a uniformly ¹⁵N-labeled membrane protein in magnetically aligned bilayers, and a previously assigned isotropic chemical shift spectrum obtained either from solution NMR on micelle or isotropic bicelle samples or from magic angle spinning (MAS) solid-state NMR on unoriented proteoliposomes. The sequential isotropic resonance assignments are transferred to the OS solid-state NMR spectra of aligned samples by correlating signals from the same residue observed in protein-containing bilayers aligned with their normals parallel and perpendicular to the magnetic field. The underlying principle is that the resonances from the same residue have heteronuclear dipolar couplings that differ by exactly a factor of two between parallel and perpendicular alignments. The method is demonstrated on the membrane-bound form of Pf1 coat protein in phospholipid bilayers, whose assignments have been previously made using an earlier generation of methods that relied on the preparation of many selectively labeled (by residue type) samples. The new method provides the correct resonance assignments using only a single uniformly ¹⁵N-labeled sample, two solid-state NMR spectra, and a previously assigned isotropic spectrum. Significantly, this approach is equally applicable to residues in alpha helices, beta sheets, loops, and any other elements of tertiary structure. Moreover, the strategy bridges between OS solid-state NMR of aligned samples and solution NMR or MAS solid-state NMR of unoriented samples. In combination with the development of complementary experimental methods, it provides a step towards unifying these apparently different NMR approaches. Copyright © 2011 Elsevier Inc. All rights reserved.

  19. Double resonance capacitance spectroscopy (DORCAS): A new experimental technique for assignment of X-ray absorption peaks to surface sites of semiconductor

    CERN Document Server

    Ishii, M

    2003-01-01

    As a new microspectroscopy for semiconductor surface analysis using an X-ray beam, double resonance capacitance spectroscopy (DORCAS) is proposed. For a microscopic X-ray absorption measurement, a local capacitance change owing to X-ray induced emission of localized electrons is detected by a microprobe. The applied bias voltage V sub b dependence of the capacitance also provides information on the surface density of state. The resonance of the Fermi energy with a surface level by V sub b control makes possible the selection of the observable surface site in the X-ray absorption measurements, i.e. site-specific spectroscopy. The double resonance of the surface site selection (V sub b resonance) and the resonant X-ray absorption of the selected site (photon energy h nu resonance) enhances the capacitance signal. The DORCAS measurement of the GaAs surface shows correlation peaks at h nu=10.402 keV and V sub b =-0.4 V and h nu=10.429 keV and V sub b =+0.1 V, indicating that these resonant X-ray absorption peaks ...

  20. Sequence-specific 1H NMR resonance assignments of Bacillus subtilis HPr: Use of spectra obtained from mutants to resolve spectral overlap

    International Nuclear Information System (INIS)

    Wittekind, M.; Klevit, R.E.; Reizer, J.

    1990-01-01

    On the basis of an analysis of two-dimensional 1 H NMR spectra, the complete sequence-specific 1 H NMR assignments are presented for the phosphocarrier protein HPr from the Gram-positive bacterium Bacillus subtilis. During the assignment procedure, extensive use was made of spectra obtained from point mutants of HPr in order to resolve spectral overlap and to provide verification of assignments. Regions of regular secondary structure were identified by characteristic patterns of sequential backbone proton NOEs and slowly exchanging amide protons. B subtilis HPr contains four β-strands that form a single antiparallel β-sheet and two well-defined α-helices. There are two stretches of extended backbone structure, one of which contains the active site His 15 . The overall fold of the protein is very similar to that of Escherichia coli HPr determined by NMR studies

  1. Resonance

    DEFF Research Database (Denmark)

    Petersen, Nils Holger

    2014-01-01

    A chapter in a book about terminology within the field of medievalism: the chapter discusses the resonance of medieval music and ritual in modern (classical) music culture and liturgical practice.......A chapter in a book about terminology within the field of medievalism: the chapter discusses the resonance of medieval music and ritual in modern (classical) music culture and liturgical practice....

  2. (1)H, (13)C, and (15)N backbone resonance assignments of the full-length 40 kDa S. acidocaldarius Y-family DNA polymerase, dinB homolog.

    Science.gov (United States)

    Moro, Sean L; Cocco, Melanie J

    2015-10-01

    The dinB homolog (Dbh) is a member of the Y-family of translesion DNA polymerases, which are specialized to accurately replicate DNA across from a wide variety of lesions in living cells. Lesioned bases block the progression of high-fidelity polymerases and cause detrimental replication fork stalling; Y-family polymerases can bypass these lesions. The active site of the translesion synthesis polymerase is more open than that of a replicative polymerase; consequently Dbh polymerizes with low fidelity. Bypass polymerases also have low processivity. Short extension past the lesion allows the high-fidelity polymerase to switch back onto the site of replication. Dbh and the other Y-family polymerases have been used as structural models to investigate the mechanisms of DNA polymerization and lesion bypass. Many high-resolution crystal structures of Y-family polymerases have been reported. NMR dynamics studies can complement these structures by providing a measure of protein motions. Here we report the (15)N, (1)H, and (13)C backbone resonance assignments at two temperatures (35 and 50 °C) for Sulfolobus acidocaldarius Dbh polymerase. Backbone resonance assignments have been obtained for 86 % of the residues. The polymerase active site is assigned as well as the majority of residues in each of the four domains.

  3. Final report on improved N15 analyser NOI-6e

    International Nuclear Information System (INIS)

    Meier, G.; Hollenthoner, S.

    1985-05-01

    This report gives a general view of the computerized NOI-6e nitrogen analyzer. The construction of the new prototype is described. The new version of the N15 analyzer together with the microcomputer program which has been developed improves the convenience of operation and also has high reliability. Many practical test measurements have been made. The most important result is the remarkable reduction of the standard deviation σsub(x): a standard deviation of less than 0.5% is achieved. We have not found such a low standard deviation in descriptions of similar analyzers which use emission spectroscopy

  4. Stereospecific assignment of the NH2 resonances from the primary amides of asparagine and glutamine side chains in isotopically labeled proteins

    International Nuclear Information System (INIS)

    McIntosh, Lawrence P.; Brun, Emmanuel; Kay, Lewis E.

    1997-01-01

    An HMQC-based pulse scheme is presented for the stereospecific assignment of asparagine and glutamine side-chain amide protons. The approach makes use of the recently developed quantitative-J correlation spectroscopy [Bax, A. et al. (1994) Methods Enzymol., 239,79-105] to distinguish the E and Z primary amide protons and, as such, eliminates the need for assignments derived from more time-consuming and potentially ambiguous NOE methods. An application of this method to a uniformly 15N,13C-labeled cellulose-binding domain is presented. When used in combination with a NOESY-HSQC experiment, the predominant χ2 dihedral angles of two asparagine side chains in this protein can also be defined

  5. 1H, 13C, and 15N resonance assignment of the N-terminal domainof Mason-Pfizer monkey virus capsid protein, CA 1-140

    Czech Academy of Sciences Publication Activity Database

    Macek, Pavel; Žídek, L.; Rumlová, Michaela; Pichová, Iva; Sklenář, V.

    2008-01-01

    Roč. 2, č. 1 (2008), s. 43-45 ISSN 1874-2718 R&D Projects: GA MŠk LC545; GA MŠk(CZ) LC06030; GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z50200510; CEZ:AV0Z40550506 Keywords : nmr * assignment * capsid protein Subject RIV: EE - Microbiology, Virology Impact factor: 0.015, year: 2008

  6. 1H, 15N and 13C backbone and side-chain resonance assignments of a family 32 carbohydrate-binding module from the Clostridium perfringens NagH.

    Science.gov (United States)

    Grondin, Julie M; Chitayat, Seth; Ficko-Blean, Elizabeth; Boraston, Alisdair B; Smith, Steven P

    2012-10-01

    The Gram-positive anaerobe Clostridium perfringens is an opportunistic bacterial pathogen that secretes a battery of enzymes involved in glycan degradation. These glycoside hydrolases are thought to be involved in turnover of mucosal layer glycans, and in the spread of major toxins commonly associated with the development of gastrointestinal diseases and gas gangrene in humans. These enzymes employ multi-modularity and carbohydrate-binding function to degrade extracellular eukaryotic host sugars. Here, we report the full (1)H, (15)N and (13)C chemical shift resonance assignments of the first family 32 carbohydrate-binding module from NagH, a secreted family 84 glycoside hydrolase.

  7. On the interpretation and rotational assignment of degenerate four-wave mixing spectra: Four-photon line strengths for crossover resonances in NO A 2Σ+--X 2Π

    International Nuclear Information System (INIS)

    Friedman-Hill, E.J.; Rahn, L.A.; Farrow, R.L.

    1994-01-01

    We present here a set of equations specifically adapted to simulation of fully resonant, high-resolution, phase-conjugate degenerate four-wave mixing (DFWM) in molecular gases. Signal-intensity dependence on molecular wave functions, lifetimes, and laser beam polarizations is explicitly included in these equations. The emphasis of the presentation is on both physically intuitive interpretation and a practical, ''cookbook'' approach to spectral simulation. We present experimental verification of our calculations drawn from the spectrum of dilute NO in N 2 at low pressures. Both degenerate two-level and three-level (crossover) resonances were observed. The experimental spectral intensities are accurately reproduced by the expressions presented here. We point out some of the subtleties of DFWM spectra that could be used as aids to interpretation, especially the use of laser polarization as a probe for spectral line assignments

  8. Out-and-back {sup 13}C-{sup 13}C scalar transfers in protein resonance assignment by proton-detected solid-state NMR under ultra-fast MAS

    Energy Technology Data Exchange (ETDEWEB)

    Barbet-Massin, Emeline; Pell, Andrew J. [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France); Jaudzems, Kristaps [Latvian Institute of Organic Synthesis (Latvia); Franks, W. Trent; Retel, Joren S. [Leibniz-Institut fuer Molekulare Pharmakologie (Germany); Kotelovica, Svetlana; Akopjana, Inara; Tars, Kaspars [Biomedical Research and Study Center (Latvia); Emsley, Lyndon [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France); Oschkinat, Hartmut [Leibniz-Institut fuer Molekulare Pharmakologie (Germany); Lesage, Anne; Pintacuda, Guido, E-mail: guido.pintacuda@ens-lyon.fr [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France)

    2013-08-15

    We present here {sup 1}H-detected triple-resonance H/N/C experiments that incorporate CO-CA and CA-CB out-and-back scalar-transfer blocks optimized for robust resonance assignment in biosolids under ultra-fast magic-angle spinning (MAS). The first experiment, (H)(CO)CA(CO)NH, yields {sup 1}H-detected inter-residue correlations, in which we record the chemical shifts of the CA spins in the first indirect dimension while during the scalar-transfer delays the coherences are present only on the longer-lived CO spins. The second experiment, (H)(CA)CB(CA)NH, correlates the side-chain CB chemical shifts with the NH of the same residue. These high sensitivity experiments are demonstrated on both fully-protonated and 100 %-H{sup N} back-protonated perdeuterated microcrystalline samples of Acinetobacter phage 205 (AP205) capsids at 60 kHz MAS.

  9. Unambiguous assigning of the signals of the nuclear magnetic resonance spectra of 1 H and 13 C of monoterpenes using computational methods

    International Nuclear Information System (INIS)

    Cortes, F.; Cuevas, G.; Tenorio, J.; Rochin, A.L.

    2000-01-01

    Ab initio calculations, within the frame of Density Functional Theory were carried out on camphene and α-pinene. The 1 H and 13 C shifts were estimated according to the recently developed Sum-Over-States Density Functional Perturbation Theory (SOS-DFPT) as implemented in a modified deMon-KS program. The calculations not only reproduced the observed NMR chemical shifts, quantitatively in the case of 1 H nuclei and qualitatively in the case of 13 C nuclei, but also allow assigning unambiguously the signal on these spectra. (Author)

  10. High-resolution Fourier-transform extreme ultraviolet photoabsorption spectroscopy of 14N15N

    Science.gov (United States)

    Heays, A. N.; Dickenson, G. D.; Salumbides, E. J.; de Oliveira, N.; Joyeux, D.; Nahon, L.; Lewis, B. R.; Ubachs, W.

    2011-12-01

    The first comprehensive high-resolution photoabsorption spectrum of 14N15N has been recorded using the Fourier-transform spectrometer attached to the Desirs beamline at the Soleil synchrotron. Observations are made in the extreme ultraviolet and span 100 000-109 000 cm-1 (100-91.7 nm). The observed absorption lines have been assigned to 25 bands and reduced to a set of transition energies, f values, and linewidths. This analysis has verified the predictions of a theoretical model of N2 that simulates its photoabsorption and photodissociation cross section by solution of an isotopomer independent formulation of the coupled-channel Schrödinger equation. The mass dependence of predissociation linewidths and oscillator strengths is clearly evident and many local perturbations of transition energies, strengths, and widths within individual rotational series have been observed.

  11. Resonances

    DEFF Research Database (Denmark)

    an impetus or drive to that account: change, innovation, rupture, or discontinuity. Resonances: Historical Essays on Continuity and Change explores the historiographical question of the modes of interrelation between these motifs in historical narratives. The essays in the collection attempt to realize...

  12. NbF5 and TaF5: Assignment of 19F NMR resonances and chemical bond analysis from GIPAW calculations

    International Nuclear Information System (INIS)

    Biswal, Mamata; Body, Monique; Legein, Christophe; Sadoc, Aymeric; Boucher, Florent

    2013-01-01

    The 19 F isotropic chemical shifts (δ iso ) of two isomorphic compounds, NbF 5 and TaF 5 , which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D 19 F MAS NMR spectra. In parallel, the corresponding 19 F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M 4 F 20 ] units of NbF 5 and TaF 5 being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the 19 F NMR lines of NbF 5 and TaF 5 is obtained, ensured by the linearity between experimental 19 F δ iso values and calculated 19 F isotropic chemical shielding σ iso values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF 5 . The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the 19 F NMR lines of NbF 5 , distorted multiplets, arising from 1 J-coupling and residual dipolar coupling between the 19 F and 93 Nb nuclei, were simulated yielding to values of 93 Nb– 19 F 1 J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the 19 F NMR lines of NbF 5 and TaF 5 allow establishing relationships between the 19 F δ iso values, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the

  13. HNCA-TOCSY-CANH experiments with alternate 13C-12C labeling: a set of 3D experiment with unique supra-sequential information for mainchain resonance assignment

    International Nuclear Information System (INIS)

    Takeuchi, Koh; Gal, Maayan; Takahashi, Hideo; Shimada, Ichio; Wagner, Gerhard

    2011-01-01

    Described here is a set of three-dimensional (3D) NMR experiments that rely on CACA-TOCSY magnetization transfer via the weak 3 J(C α C α ) coupling. These pulse sequences, which resemble recently described 13 C detected CACA-TOCSY (Takeuchi et al. 2010) experiments, are recorded in 1 H 2 O, and use 1 H excitation and detection. These experiments require alternate 13 C- 12 C labeling together with perdeuteration, which allows utilizing the small 3 J(C α C α ) scalar coupling that is otherwise masked by the stronger 1 J CC couplings in uniformly 13 C labeled samples. These new experiments provide a unique assignment ladder-mark that yields bidirectional supra-sequential information and can readily straddle proline residues. Unlike the conventional HNCA experiment, which contains only sequential information to the 13 (C α ) of the preceding residue, the 3D hnCA-TOCSY-caNH experiment can yield sequential correlations to alpha carbons in positions i−1, i + 1 and i−2. Furthermore, the 3D hNca-TOCSY-caNH and Hnca-TOCSY-caNH experiments, which share the same magnetization pathway but use a different chemical shift encoding, directly couple the 15 N- 1 H spin pair of residue i to adjacent amide protons and nitrogens at positions i−2, i−1, i + 1 and i + 2, respectively. These new experimental features make protein backbone assignments more robust by reducing the degeneracy problem associated with the conventional 3D NMR experiments.

  14. CACA-TOCSY with alternate 13C–12C labeling: a 13Cα direct detection experiment for mainchain resonance assignment, dihedral angle information, and amino acid type identification

    Science.gov (United States)

    Takeuchi, Koh; Frueh, Dominique P.; Sun, Zhen-Yu J.; Hiller, Sebastian

    2010-01-01

    We present a 13C direct detection CACA-TOCSY experiment for samples with alternate 13C–12C labeling. It provides inter-residue correlations between 13Cα resonances of residue i and adjacent Cαs at positions i − 1 and i + 1. Furthermore, longer mixing times yield correlations to Cα nuclei separated by more than one residue. The experiment also provides Cα-to-sidechain correlations, some amino acid type identifications and estimates for ψ dihedral angles. The power of the experiment derives from the alternate 13C–12C labeling with [1,3-13C] glycerol or [2-13C] glycerol, which allows utilizing the small scalar 3JCC couplings that are masked by strong 1JCC couplings in uniformly 13C labeled samples. PMID:20383561

  15. CACA-TOCSY with alternate 13C-12C labeling: a 13Cα direct detection experiment for mainchain resonance assignment, dihedral angle information, and amino acid type identification

    International Nuclear Information System (INIS)

    Takeuchi, Koh; Frueh, Dominique P.; Sun, Zhen-Yu J.; Hiller, Sebastian; Wagner, Gerhard

    2010-01-01

    We present a 13 C direct detection CACA-TOCSY experiment for samples with alternate 13 C- 12 C labeling. It provides inter-residue correlations between 13 C α resonances of residue i and adjacent C α s at positions i - 1 and i + 1. Furthermore, longer mixing times yield correlations to C α nuclei separated by more than one residue. The experiment also provides C α -to-sidechain correlations, some amino acid type identifications and estimates for ψ dihedral angles. The power of the experiment derives from the alternate 13 C- 12 C labeling with [1,3- 13 C] glycerol or [2- 13 C] glycerol, which allows utilizing the small scalar 3 J CC couplings that are masked by strong 1 J CC couplings in uniformly 13 C labeled samples.

  16. CACA-TOCSY with alternate 13C-12C labeling: a 13Calpha direct detection experiment for mainchain resonance assignment, dihedral angle information, and amino acid type identification.

    Science.gov (United States)

    Takeuchi, Koh; Frueh, Dominique P; Sun, Zhen-Yu J; Hiller, Sebastian; Wagner, Gerhard

    2010-05-01

    We present a (13)C direct detection CACA-TOCSY experiment for samples with alternate (13)C-(12)C labeling. It provides inter-residue correlations between (13)C(alpha) resonances of residue i and adjacent C(alpha)s at positions i - 1 and i + 1. Furthermore, longer mixing times yield correlations to C(alpha) nuclei separated by more than one residue. The experiment also provides C(alpha)-to-sidechain correlations, some amino acid type identifications and estimates for psi dihedral angles. The power of the experiment derives from the alternate (13)C-(12)C labeling with [1,3-(13)C] glycerol or [2-(13)C] glycerol, which allows utilizing the small scalar (3)J(CC) couplings that are masked by strong (1)J(CC) couplings in uniformly (13)C labeled samples.

  17. NbF{sub 5} and TaF{sub 5}: Assignment of {sup 19}F NMR resonances and chemical bond analysis from GIPAW calculations

    Energy Technology Data Exchange (ETDEWEB)

    Biswal, Mamata, E-mail: Mamata.Biswal-Susanta_Kumar_Nayak.Etu@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Body, Monique, E-mail: monique.body@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Legein, Christophe, E-mail: christophe.legein@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Sadoc, Aymeric, E-mail: Aymeric.Sadoc@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Boucher, Florent, E-mail: Florent.Boucher@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France)

    2013-11-15

    The {sup 19}F isotropic chemical shifts (δ{sub iso}) of two isomorphic compounds, NbF{sub 5} and TaF{sub 5}, which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D {sup 19}F MAS NMR spectra. In parallel, the corresponding {sup 19}F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M{sub 4}F{sub 20}] units of NbF{sub 5} and TaF{sub 5} being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} is obtained, ensured by the linearity between experimental {sup 19}F δ{sub iso} values and calculated {sup 19}F isotropic chemical shielding σ{sub iso} values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF{sub 5}. The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the {sup 19}F NMR lines of NbF{sub 5}, distorted multiplets, arising from {sup 1}J-coupling and residual dipolar coupling between the {sup 19}F and {sup 93}Nb nuclei, were simulated yielding to values of {sup 93}Nb–{sup 19}F {sup 1}J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} allow establishing relationships between the {sup 19}F δ{sub iso} values, the nature of the fluorine atoms

  18. (1)H, (13)C, (15)N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme-nitric oxide/oxygen binding (H-NOX) domain.

    Science.gov (United States)

    Alexandropoulos, Ioannis I; Argyriou, Aikaterini I; Marousis, Kostas D; Topouzis, Stavros; Papapetropoulos, Andreas; Spyroulias, Georgios A

    2016-10-01

    The H-NOX (Heme-nitric oxide/oxygen binding) domain is conserved across eukaryotes and bacteria. In human soluble guanylyl cyclase (sGC) the H-NOX domain functions as a sensor for the gaseous signaling agent nitric oxide (NO). sGC contains the heme-binding H-NOX domain at its N-terminus, which regulates the catalytic site contained within the C-terminal end of the enzyme catalyzing the conversion of GTP (guanosine 5'-triphosphate) to GMP (guanylyl monophosphate). Here, we present the backbone and side-chain assignments of the (1)H, (13)C and (15)N resonances of the 183-residue H-NOX domain from Nostoc sp. through solution NMR.

  19. Combination of liquid chromatography-Fourier transform ion cyclotron resonance-mass spectrometry with 13C-labeling for chemical assignment of sulfur-containing metabolites in onion bulbs.

    Science.gov (United States)

    Nakabayashi, Ryo; Sawada, Yuji; Yamada, Yutaka; Suzuki, Makoto; Hirai, Masami Yokota; Sakurai, Tetsuya; Saito, Kazuki

    2013-02-05

    Phytochemicals containing heteroatoms (N, O, S, and halogens) often have biological activities that are beneficial to humans. Although targeted profiling methods for such phytochemicals are expected to contribute to rapid chemical assignments, thus making phytochemical genomics and crop breeding much more efficient, there are few profiling methods for the metabolites. Here, as an ultrahigh performance approach, we propose a practical profiling method for S-containing metabolites (S-omics) using onions (Allium cepa) as a representative species and (12)C- and (13)C-based mass spectrometry (MS) and tandem mass spectrometry (MS/MS) analyses by liquid chromatography-Fourier transform ion cyclotron resonance-mass spectrometry (LC-FTICR-MS). Use of the ultrahigh quality data from FTICR-MS enabled simplifying the previous methods to determine specific elemental compositions. MS analysis with a resolution of >250,000 full width at half-maximum and a mass accuracy of ions from other ions on the basis of the natural abundance of (32)S and (34)S and the mass differences among the S isotopes. Comprehensive peak picking using the theoretical mass difference (1.99579 Da) between (32)S-containing monoisotopic ions and their (34)S-substituted counterparts led to the assignment of 67 S-containing monoisotopic ions from the (12)C-based MS spectra, which contained 4693 chromatographic ions. The unambiguous elemental composition of 22 ions was identified through comparative analysis of the (12)C- and (13)C-based MS spectra. Finally, of these, six ions were found to be derived from S-alk(en)ylcysteine sulfoxides and glutathione derivatives. This S-atom-driven approach afforded an efficient chemical assignment of S-containing metabolites, suggesting its potential application for screening not only S but also other heteroatom-containing metabolites in MS-based metabolomics.

  20. The utility of N-15 nuclear magnetic resonance spectroscopy for the study of natural products

    International Nuclear Information System (INIS)

    Randall, E.W.

    1978-01-01

    The utility of 15 N NMR spectroscopy for the study of natural products and the difficulties which must be overcome arte discussed. The widespread use of pulse Fourier techniques, decouplings, larger magnetic fields and large tube sizes allows a large number of 15 N studies of natural products, the more recent and important of these being peptides, nucleosides and nucleotides. Sites of protonation, tautomerism, sites of nitrosation and proton exchange behaviour for some of these natrual products have been studied. (A.G.)

  1. Does fertilizer (N15P15K15) amendment enhance phytoremediation of petroleum-polluted aquatic ecosystem in the presence of water hyacinth (Eichhornia crassipes [Mart.] Solms)?

    Science.gov (United States)

    Ndimele, Prince Emeka; Jenyo-Oni, Adetola; Chukwuka, Kanayo S; Ndimele, Chinatu Charity; Ayodele, Ibukunoluwa Augustine

    2015-01-01

    This study investigated the effects of inorganic fertilizer (N15P15K15) amendments on crude oil uptake by water hyacinth. Experimental units (water hyacinth grown in fresh water) were spiked with 0, 20, 40 and 60 mg/L crude oil. After 24 h, they were randomly assigned fertilizer (N15P15K15) at three different concentrations; 0, 6 and 10 mg/L. Crude oil degradation and absorption were determined by measuring total petroleum hydrocarbon (TPH) in the water column and water hyacinth, respectively. The measurements were taken monthly for six months (February-August 2010). The results showed that TPH concentration in the water column in the treatment amended at 6 mg/L (0.30 ± 0.01 mg/L) was significantly lower (p phytoremediation) absorbed significantly higher (p phytoremediation of crude oil by water hyacinth and biostimulation with fertilizer (N15P15K15) is possible.

  2. Backbone and side-chain 1H, 15N and 13C resonance assignments of two Sac10b family members Mvo10b and Mth10bTQQA from archaea.

    Science.gov (United States)

    Xuan, Jinsong; Yao, Hongwei; Feng, Yingang; Wang, Jinfeng

    2017-10-01

    The Sac10b family proteins, also named as Alba, are small, basic, nucleic acid-binding proteins widely distributed in archaea. They possess divergent physiological functions such as binding to both DNA and RNA with a high affinity and involving in genomic DNA compaction, RNA transactions and transcriptional regulations. The structures of many Sac10b family proteins from hyperthermophilic archaea have been reported, while those from thermophilic and mesophilic archaea are largely unknown. As was pointed out, the homologous members from thermophilic and mesophilic archaea may have functions different from the hyperthermophilic members. Therefore, comparison of these homologous members can provide biophysical and structural insight into the functional diversity and thermal adaptation mechanism. The present work mainly focused on the NMR study of two Sac10b family members, Mvo10b and Mth10b, from the mesophilic and thermophilic archaea, respectively. To overcome the difficulties caused by the oligomerization and conformation heterogeneity of Mth10b, a M13T/L17Q/I20Q/P56A mutant Mth10b (Mth10bTQQA) was constructed and used together with Mvo10b for multi-dimensional NMR experiments. The resonance assignments of Mvo10b and Mth10bTQQA are reported for further structural determination which is a basis for understanding the functional diversity and their thermal adaption mechanisms.

  3. Easy and unambiguous sequential assignments of intrinsically disordered proteins by correlating the backbone 15N or 13C′ chemical shifts of multiple contiguous residues in highly resolved 3D spectra

    International Nuclear Information System (INIS)

    Yoshimura, Yuichi; Kulminskaya, Natalia V.; Mulder, Frans A. A.

    2015-01-01

    Sequential resonance assignment strategies are typically based on matching one or two chemical shifts of adjacent residues. However, resonance overlap often leads to ambiguity in resonance assignments in particular for intrinsically disordered proteins. We investigated the potential of establishing connectivity through the three-bond couplings between sequentially adjoining backbone carbonyl carbon nuclei, combined with semi-constant time chemical shift evolution, for resonance assignments of small folded and larger unfolded proteins. Extended sequential connectivity strongly lifts chemical shift degeneracy of the backbone nuclei in disordered proteins. We show here that 3D (H)N(COCO)NH and (HN)CO(CO)NH experiments with relaxation-optimized multiple pulse mixing correlate up to seven adjacent backbone amide nitrogen or carbonyl carbon nuclei, respectively, and connections across proline residues are also obtained straightforwardly. Multiple, recurrent long-range correlations with ultra-high resolution allow backbone 1 H N , 15 N H , and 13 C′ resonance assignments to be completed from a single pair of 3D experiments

  4. The use of N-15 labelling to study the turnover and utilization of ruminant manure N

    DEFF Research Database (Denmark)

    Sørensen, P.; Jensen, E.S.

    1998-01-01

    An improved understanding of the cycling of animal manure N is a prerequisite for malting better use of this N source. A sheep was fed N-15-Iabelled grass in order to study the fate of N-15-Iabelled ruminant manure N in the plant-soil system. The uniformity of labelling was found to be satisfactory...

  5. Inferential backbone assignment for sparse data

    International Nuclear Information System (INIS)

    Vitek, Olga; Bailey-Kellogg, Chris; Craig, Bruce; Vitek, Jan

    2006-01-01

    This paper develops an approach to protein backbone NMR assignment that effectively assigns large proteins while using limited sets of triple-resonance experiments. Our approach handles proteins with large fractions of missing data and many ambiguous pairs of pseudoresidues, and provides a statistical assessment of confidence in global and position-specific assignments. The approach is tested on an extensive set of experimental and synthetic data of up to 723 residues, with match tolerances of up to 0.5 ppm for C α and C β resonance types. The tests show that the approach is particularly helpful when data contain experimental noise and require large match tolerances. The keys to the approach are an empirical Bayesian probability model that rigorously accounts for uncertainty in the data at all stages in the analysis, and a hybrid stochastic tree-based search algorithm that effectively explores the large space of possible assignments

  6. Plagiarism-Proofing Assignments

    Science.gov (United States)

    Johnson, Doug

    2004-01-01

    Mr. Johnson has discovered that the higher the level of student engagement and creativity, the lower the probability of plagiarism. For teachers who would like to see such desirable results, he describes the characteristics of assignments that are most likely to produce them. Two scenarios of types of assignments that avoid plagiarism are…

  7. Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-12-28

    We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.

  8. Fair Package Assignment

    Science.gov (United States)

    Lahaie, Sébastien; Parkes, David C.

    We consider the problem of fair allocation in the package assignment model, where a set of indivisible items, held by single seller, must be efficiently allocated to agents with quasi-linear utilities. A fair assignment is one that is efficient and envy-free. We consider a model where bidders have superadditive valuations, meaning that items are pure complements. Our central result is that core outcomes are fair and even coalition-fair over this domain, while fair distributions may not even exist for general valuations. Of relevance to auction design, we also establish that the core is equivalent to the set of anonymous-price competitive equilibria, and that superadditive valuations are a maximal domain that guarantees the existence of anonymous-price competitive equilibrium. Our results are analogs of core equivalence results for linear prices in the standard assignment model, and for nonlinear, non-anonymous prices in the package assignment model with general valuations.

  9. My Favorite Assignment.

    Science.gov (United States)

    ABCA Bulletin, 1983

    1983-01-01

    Describes three assignments for enticing business communication students to undertake library research: an analysis of a Fortune 500 company, a career choice report, and a report on an organization that offers potential employment. (AEA)

  10. Historical WBAN ID Assignments

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — 4"x6" index cards represent the first written assignments of Weather Bureau Army Navy (WBAN) station identifier numbers by the National Climatic Data Center....

  11. Dynamic Sequence Assignment.

    Science.gov (United States)

    1983-12-01

    D-136 548 DYNAMIIC SEQUENCE ASSIGNMENT(U) ADVANCED INFORMATION AND 1/2 DECISION SYSTEMS MOUNTAIN YIELW CA C A 0 REILLY ET AL. UNCLSSIIED DEC 83 AI/DS...I ADVANCED INFORMATION & DECISION SYSTEMS Mountain View. CA 94040 84 u ,53 V,..’. Unclassified _____ SCURITY CLASSIFICATION OF THIS PAGE REPORT...reviews some important heuristic algorithms developed for fas- ter solution of the sequence assignment problem. 3.1. DINAMIC MOGRAMUNIG FORMULATION FOR

  12. The use of N15 for studying the mechanism of transformation in the soil and plant

    International Nuclear Information System (INIS)

    Alchater, M.S.

    1995-01-01

    This research pertains to the study of the mechanism of transformation of added N 15 in the soil and plant in an attempt to determine the competition between microbial biomass and the plant for the use of N fertilizer in the form of (N 15 H 4)2 So 4. Additional amounts of barley straw were added as a source of energy. The study led to determining the real utilization coefficient of the canopy and the root system which amounted to 79% of N 15 added alone. Whereas it amounted to the treatments in which barley straw was added to N 15. Furthermore, there was a decrease in the amount of organic N 15 in the form of Gamma-amine as compared with other forms of organic N which also decreased to lesser degree. The results also indicated that the important N in the immobilization of nitrogen, as observed in previous field trials. Nitrogen balance and the contribution of soil N to plant nutrition were also calculated. 2 figs., 5 tabs

  13. FLEET ASSIGNMENT MODELLING

    Directory of Open Access Journals (Sweden)

    2016-01-01

    Full Text Available The article is devoted to the airline scheduling process and methods of its modeling. This article describes the main stages of airline scheduling process (scheduling, fleet assignment, revenue management, operations, their features and interactions. The main part of scheduling process is fleet assignment. The optimal solution of the fleet assignment problem enables airlines to increase their incomes up to 3 % due to quality improving of connections and execution of the planned number of flights operated by less number of aircraft than usual or planned earlier. Fleet assignment of scheduling process is examined and Conventional Leg-Based Fleet Assignment Model is analyzed. Finally strong and weak aspects of the model (SWOT are released and applied. The article gives a critical analysis of FAM model, with the purpose of identi- fying possible options and constraints of its use (for example, in cases of short-term and long-term planning, changing the schedule or replacing the aircraft, as well as possible ways to improve the model.

  14. Task assignment and coaching

    NARCIS (Netherlands)

    Dominguez-Martinez, S.

    2009-01-01

    An important task of a manager is to motivate her subordinates. One way in which a manager can give incentives to junior employees is through the assignment of tasks. How a manager allocates tasks in an organization, provides information to the junior employees about his ability. Without coaching

  15. Personnel dose assignment practices

    International Nuclear Information System (INIS)

    Fix, J.J.

    1993-04-01

    Implementation of DOE N 5480.6 Radiological Control Manual Article 511(3) requirements, to minimize the assignment of personnel dosimeters, should be done only under a broader context ensuring that capabilities are in place to monitor and record personnel exposure both for compliance and for potential litigation. As noted in NCRP Report No. 114, personnel dosimetry programs are conducted to meet four major objectives: radiation safety program control and evaluation; regulatory compliance; epidemiological research; and litigation. A change to Article 511(3) is proposed that would require that minimizing the assignment of personnel dosimeters take place only following full evaluation of overall capabilities (e.g., access control, area dosimetry, etc.) to meet the NCRP objectives

  16. Scaffolding students’ assignments

    DEFF Research Database (Denmark)

    Slot, Marie Falkesgaard

    2013-01-01

    This article discusses scaffolding in typical student assignments in mother tongue learning materials in upper secondary education in Denmark and the United Kingdom. It has been determined that assignments do not have sufficient scaffolding end features to help pupils understand concepts and build...... objects. The article presents the results of empirical research on tasks given in Danish and British learning materials. This work is based on a further development of my PhD thesis: “Learning materials in the subject of Danish” (Slot 2010). The main focus is how cognitive models (and subsidiary explicit...... learning goals) can help students structure their argumentative and communica-tive learning processes, and how various multimodal representations can give more open-ended learning possibilities for collaboration. The article presents a short introduction of the skills for 21st century learning and defines...

  17. Task assignment and coaching

    OpenAIRE

    Dominguez-Martinez, S.

    2009-01-01

    An important task of a manager is to motivate her subordinates. One way in which a manager can give incentives to junior employees is through the assignment of tasks. How a manager allocates tasks in an organization, provides information to the junior employees about his ability. Without coaching from a manager, the junior employee only has information about his past performance. Based on his past performance, a talented junior who has performed a difficult task sometimes decides to leave the...

  18. Multidimensional oriented solid-state NMR experiments enable the sequential assignment of uniformly 15N labeled integral membrane proteins in magnetically aligned lipid bilayers

    International Nuclear Information System (INIS)

    Mote, Kaustubh R.; Gopinath, T.; Traaseth, Nathaniel J.; Kitchen, Jason; Gor’kov, Peter L.; Brey, William W.; Veglia, Gianluigi

    2011-01-01

    Oriented solid-state NMR is the most direct methodology to obtain the orientation of membrane proteins with respect to the lipid bilayer. The method consists of measuring 1 H- 15 N dipolar couplings (DC) and 15 N anisotropic chemical shifts (CSA) for membrane proteins that are uniformly aligned with respect to the membrane bilayer. A significant advantage of this approach is that tilt and azimuthal (rotational) angles of the protein domains can be directly derived from analytical expression of DC and CSA values, or, alternatively, obtained by refining protein structures using these values as harmonic restraints in simulated annealing calculations. The Achilles’ heel of this approach is the lack of suitable experiments for sequential assignment of the amide resonances. In this Article, we present a new pulse sequence that integrates proton driven spin diffusion (PDSD) with sensitivity-enhanced PISEMA in a 3D experiment ([ 1 H, 15 N]-SE-PISEMA-PDSD). The incorporation of 2D 15 N/ 15 N spin diffusion experiments into this new 3D experiment leads to the complete and unambiguous assignment of the 15 N resonances. The feasibility of this approach is demonstrated for the membrane protein sarcolipin reconstituted in magnetically aligned lipid bicelles. Taken with low electric field probe technology, this approach will propel the determination of sequential assignment as well as structure and topology of larger integral membrane proteins in aligned lipid bilayers.

  19. Multidimensional oriented solid-state NMR experiments enable the sequential assignment of uniformly 15N labeled integral membrane proteins in magnetically aligned lipid bilayers.

    Science.gov (United States)

    Mote, Kaustubh R; Gopinath, T; Traaseth, Nathaniel J; Kitchen, Jason; Gor'kov, Peter L; Brey, William W; Veglia, Gianluigi

    2011-11-01

    Oriented solid-state NMR is the most direct methodology to obtain the orientation of membrane proteins with respect to the lipid bilayer. The method consists of measuring (1)H-(15)N dipolar couplings (DC) and (15)N anisotropic chemical shifts (CSA) for membrane proteins that are uniformly aligned with respect to the membrane bilayer. A significant advantage of this approach is that tilt and azimuthal (rotational) angles of the protein domains can be directly derived from analytical expression of DC and CSA values, or, alternatively, obtained by refining protein structures using these values as harmonic restraints in simulated annealing calculations. The Achilles' heel of this approach is the lack of suitable experiments for sequential assignment of the amide resonances. In this Article, we present a new pulse sequence that integrates proton driven spin diffusion (PDSD) with sensitivity-enhanced PISEMA in a 3D experiment ([(1)H,(15)N]-SE-PISEMA-PDSD). The incorporation of 2D (15)N/(15)N spin diffusion experiments into this new 3D experiment leads to the complete and unambiguous assignment of the (15)N resonances. The feasibility of this approach is demonstrated for the membrane protein sarcolipin reconstituted in magnetically aligned lipid bicelles. Taken with low electric field probe technology, this approach will propel the determination of sequential assignment as well as structure and topology of larger integral membrane proteins in aligned lipid bilayers. © Springer Science+Business Media B.V. 2011

  20. Nitrogen fixation in different chickpea cultivars as affected by iron application N-15 Technique

    Energy Technology Data Exchange (ETDEWEB)

    Gadalla, A M; Soliman, S M; Abdelmonem, M [Soil and Water Dept., Atomic Energy Authority, Cairo, (Egypt)

    1995-10-01

    With development of new cultivars of winter chickpea, it became important to evaluate the potential of these cultivars to fix nitrogen from air, and the effect of different agronomic factors on this important process. Greenhouse experiment was conducted to screen five cultivars of chickpea for N 2- fixation ability as affected by iron application. These cultivars were Giza 1,2,531 and 88 as compared with L 3 which was developed from the genotype NEC 1055 by irradiation. N 2- fixation was estimated using N-15 technique. Plant materials were collected after 55 days from planing. Plants samples were analysed for total N-15 atom excess. Results show that Giza 88 gave the highest dry matter as well as nitrogen fixation. Nitrogen derived from air (NDFA) ranged from 27 to 50% due to variety difference and iron treatment. 1 fig., 3 tabs.

  1. Nitrogen fixation in different chickpea cultivars as affected by iron application N-15 Technique

    International Nuclear Information System (INIS)

    Gadalla, A.M.; Soliman, S.M.; Abdelmonem, M.

    1995-01-01

    With development of new cultivars of winter chickpea, it became important to evaluate the potential of these cultivars to fix nitrogen from air, and the effect of different agronomic factors on this important process. Greenhouse experiment was conducted to screen five cultivars of chickpea for N 2- fixation ability as affected by iron application. These cultivars were Giza 1,2,531 and 88 as compared with L 3 which was developed from the genotype NEC 1055 by irradiation. N 2- fixation was estimated using N-15 technique. Plant materials were collected after 55 days from planing. Plants samples were analysed for total N-15 atom excess. Results show that Giza 88 gave the highest dry matter as well as nitrogen fixation. Nitrogen derived from air (NDFA) ranged from 27 to 50% due to variety difference and iron treatment. 1 fig., 3 tabs

  2. Annealing dislocation loops in OKh16N15M3T steel implanted by helium

    International Nuclear Information System (INIS)

    Utkelbaev, B.D.; Reutov, V.F.; Zhdan, G.T.

    1993-01-01

    With the use of electron microscopy a study was made into the influence of preliminary thermomechanical treatment on the process of dislocation loop development in austenitic stainless steel type OKh16N15M3T with helium on annealing. Preliminary treatment was shown to prevent dislocation loop formation to a greater or lesser extent. Preliminary 'cold' working and thermal ageing of the material are the most effective ways to suppress radiation defect formation when annealing helium implanted steel

  3. N7- and N9-substituted purine derivatives: a N-15 NMR study

    Czech Academy of Sciences Publication Activity Database

    Marek, R.; Brus, Jiří; Toušek, J.; Kovács, L.; Hocková, Dana

    2002-01-01

    Roč. 40, č. 5 (2002), s. 353-360 ISSN 0749-1581 R&D Projects: GA ČR GA203/98/P026; GA MŠk LN00A016 Institutional research plan: CEZ:AV0Z4050913 Keywords : NMR * H-1 NMR * N-15 NMR Subject RIV: CE - Biochemistry Impact factor: 0.994, year: 2002

  4. Effect of method of N-application and modified urea on N-15 recovery by rice

    International Nuclear Information System (INIS)

    Soliman, S.M.; Abdelmonem, M.A.S.

    1995-01-01

    Rice is a very responsive crop to nitrogen fertilizer, but the efficiency of the applied N-fertilizer is low. Greenhouse experiment conducted to evaluate several methods to improve fertilizer efficiency and reduce N-losses in rice fields. N-15 labelled urea was applied to 10 kg soils in pots, urea was applied alone, with addition of two urease inhibitors (NBPT and HQ), with addition of nitrification inhibitor (DCD),or with the combination of both inhibitors. The fertilizers were applied either broadcast on soil surface or at depth of 8 cm below the surface. At maturity, plants were separated into grain and straw, dried and weighted. Soil and plant samples were analyzed for total N and N-15 excess. Both fertilizer placement and inhibitor application significantly increased straw and grain yield, as well as N-uptake. Nitrogen derived from fertilizer (%Ndff) was more than doubled, when urea was applied deep and in combination with inhibitors. Plant recovery of N-15 labelled urea ranged from 17% to 75% according to treatment. Regardless of inhibitors application, plant recovery was increased from 39% to 65% when urea was applied at depth of 8 cm. Approximately 2/3 of the applied urea (64%)was lost when urea was applied alone. Those losses were reduced down to 12% with deep placement and inhibitor application. The two management practices show significant effect on minimizing N-losses and increasing plant recovery. 1 fig., 3 tabs

  5. Effect of method of N-application and modified urea on N-15 recovery by rice

    Energy Technology Data Exchange (ETDEWEB)

    Soliman, S M; Abdelmonem, M A.S. [Soil and Water Dept., Atomic Energy Auth., Cairo, (Egypt)

    1995-10-01

    Rice is a very responsive crop to nitrogen fertilizer, but the efficiency of the applied N-fertilizer is low. Greenhouse experiment conducted to evaluate several methods to improve fertilizer efficiency and reduce N-losses in rice fields. N-15 labelled urea was applied to 10 kg soils in pots, urea was applied alone, with addition of two urease inhibitors (NBPT and HQ), with addition of nitrification inhibitor (DCD),or with the combination of both inhibitors. The fertilizers were applied either broadcast on soil surface or at depth of 8 cm below the surface. At maturity, plants were separated into grain and straw, dried and weighted. Soil and plant samples were analyzed for total N and N-15 excess. Both fertilizer placement and inhibitor application significantly increased straw and grain yield, as well as N-uptake. Nitrogen derived from fertilizer (%Ndff) was more than doubled, when urea was applied deep and in combination with inhibitors. Plant recovery of N-15 labelled urea ranged from 17% to 75% according to treatment. Regardless of inhibitors application, plant recovery was increased from 39% to 65% when urea was applied at depth of 8 cm. Approximately 2/3 of the applied urea (64%)was lost when urea was applied alone. Those losses were reduced down to 12% with deep placement and inhibitor application. The two management practices show significant effect on minimizing N-losses and increasing plant recovery. 1 fig., 3 tabs.

  6. Spin and parity assignments to dipole excitations of the odd-mass nucleus {sup 207}Pb from nuclear resonance fluorescence experiments with linearly-polarized {gamma}-ray beams

    Energy Technology Data Exchange (ETDEWEB)

    Pietralla, N; Fritzsche, M; Savran, D [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Li, T C [Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Ahmed, M W; Tonchev, A P; Tornow, W; Weller, H R [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Werner, V, E-mail: pietralla@ikp.tu-darmstadt.d [A.W. Wright Nuclear Structure Laboratory (WNSL), Yale University, New Haven, CT (United States)

    2010-01-01

    Pb({gamma}-vector ,{gamma}') photon scattering reactions were studied [1] with the nearly monochromatic, linearly polarized photon beams at the High Intensity {gamma}-ray Source (HI{gamma}S) at the DFELL. Azimuthal scattering intensity asymmetries measured with respect to the polarization plane of the beam have been used for the first time to assign both the spin and parity quantum numbers of dipole excited states of {sup 206,207,208}Pb at excitation energies in the vicinity of 5.5 MeV. Evidence for dominant particle-core coupling is deduced from these results along with information on excitation energies and electromagnetic transition matrix elements.

  7. HNCA-TOCSY-CANH experiments with alternate {sup 13}C-{sup 12}C labeling: a set of 3D experiment with unique supra-sequential information for mainchain resonance assignment

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Koh; Gal, Maayan [Harvard Medical School, Department of Biochemistry and Molecular Pharmacology (United States); Takahashi, Hideo; Shimada, Ichio [National Institute of Advanced Industrial Science and Technology, Biomedicinal Information Research Center (Japan); Wagner, Gerhard, E-mail: gerhard_wagner@hms.harvard.edu [Harvard Medical School, Department of Biochemistry and Molecular Pharmacology (United States)

    2011-01-15

    Described here is a set of three-dimensional (3D) NMR experiments that rely on CACA-TOCSY magnetization transfer via the weak {sup 3}J(C{sub {alpha}}C{sub {alpha}}) coupling. These pulse sequences, which resemble recently described {sup 13}C detected CACA-TOCSY (Takeuchi et al. 2010) experiments, are recorded in {sup 1}H{sub 2}O, and use {sup 1}H excitation and detection. These experiments require alternate {sup 13}C-{sup 12}C labeling together with perdeuteration, which allows utilizing the small {sup 3}J(C{sub {alpha}}C{sub {alpha}}) scalar coupling that is otherwise masked by the stronger {sup 1}J{sub CC} couplings in uniformly {sup 13}C labeled samples. These new experiments provide a unique assignment ladder-mark that yields bidirectional supra-sequential information and can readily straddle proline residues. Unlike the conventional HNCA experiment, which contains only sequential information to the {sup 13}(C{sub {alpha}}) of the preceding residue, the 3D hnCA-TOCSY-caNH experiment can yield sequential correlations to alpha carbons in positions i-1, i + 1 and i-2. Furthermore, the 3D hNca-TOCSY-caNH and Hnca-TOCSY-caNH experiments, which share the same magnetization pathway but use a different chemical shift encoding, directly couple the {sup 15}N-{sup 1}H spin pair of residue i to adjacent amide protons and nitrogens at positions i-2, i-1, i + 1 and i + 2, respectively. These new experimental features make protein backbone assignments more robust by reducing the degeneracy problem associated with the conventional 3D NMR experiments.

  8. Job Assignments under Moral Hazard

    DEFF Research Database (Denmark)

    Koch, Alexander; Nafziger, Julia

    Inefficient job assignments are usually explained with incomplete information about employees' abilities or contractual imperfections. We show that inefficient assignments arise even without uncertainty about the employee's ability and with complete contracts. Building on this result we provide...

  9. CACA-TOCSY with alternate {sup 13}C-{sup 12}C labeling: a {sup 13}C{sup {alpha}} direct detection experiment for mainchain resonance assignment, dihedral angle information, and amino acid type identification

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Koh [National Institute of Advanced Industrial Science and Technology (AIST), Biomedicinal Information Research Center (BIRC) (Japan); Frueh, Dominique P.; Sun, Zhen-Yu J.; Hiller, Sebastian; Wagner, Gerhard, E-mail: gerhard_wagner@hms.harvard.ed [Harvard Medical School, Department of Biological Chemistry and Molecular Pharmacology (United States)

    2010-05-15

    We present a {sup 13}C direct detection CACA-TOCSY experiment for samples with alternate {sup 13}C-{sup 12}C labeling. It provides inter-residue correlations between {sup 13}C{sup {alpha}} resonances of residue i and adjacent C{sup {alpha}s} at positions i - 1 and i + 1. Furthermore, longer mixing times yield correlations to C{sup {alpha}} nuclei separated by more than one residue. The experiment also provides C{sup {alpha}}-to-side chain correlations, some amino acid type identifications and estimates for {psi} dihedral angles. The power of the experiment derives from the alternate {sup 13}C-{sup 12}C labeling with [1,3-{sup 13}C] glycerol or [2-{sup 13}C] glycerol, which allows utilizing the small scalar {sup 3}J{sub CC} couplings that are masked by strong {sup 1}J{sub CC} couplings in uniformly {sup 13}C labeled samples.

  10. Method of N-15 analysis by mass-spectroscopy on ion implanter MPB-200

    International Nuclear Information System (INIS)

    Vo Van Thuan; Dang Duc Nhan; Nguyen Phuc; Nguyen Tien Dung; Nguyen Van Dach

    1993-01-01

    The industrial implanter MPB-200 has been modified to a light-isotope mass spectrometer. Mass-resolution has been improved by combination of quadrupole focusing system and a collimator with additional scattering shielding. Single beam method has been set up, in which mass-spectrum are obtained by scanning magnetic field of the separator. A start-stop control system has been added to operate automatically the magnet and registration system, from which signals are transferred to a XT/AT computer for saving and analysis. The mass-resolution is satisfactory for analysis of light isotopes with mass number A less than 40. A testing measurement has been done with standard samples of natural and enriched N-15 isotope, at acceleration energy of 50 keV, beam current less than 100 nA, vacuum of 4x10E-6 and collimator's shell of 1 mm. Obtained resolution and background condition allowed to achieve a good linear dependence of relative isotope ratio data vs real abundance in the range from natural 0.365% to 5.0% with a 3% error (96% of reliability). Routine N-15 may achieve (5-10)% accuracy by a 7-10 minutes measurement for every sample. Sensitivity of the mass-spectrometer is better almost by one order in comparing with one of emission spectrometers. The new mass-spectroscopy system is applied to research in agriculture, biology and environmental study. (author). 4 refs, 4 figs

  11. Atmospheric dinitrogen fixation in the flooded rhizosphere as determined by the N-15 isotope technique

    International Nuclear Information System (INIS)

    Yoshida, Tomio; Yoneyama, Tadakatsu.

    1980-01-01

    Atmospheric nitrogen fixation in the rice rhizosphere was determined under in situ conditions of growing flooded rice using the N-15 isotope method. The whole plant growing in a pot at a reproductive stage was placed in a specially designed glass container and exposed to a 15 N 2 atmosphere. The amounts of total nitrogen fixed in the rice rhizosphere under the experimental conditions were 1366, 592, 878, and 698 μg per pot containing 0.4 kg of soil during 15 N 2 exposure for 7 to 13 days in the four experiments conducted in this study. It was also found that the nitrogen fixed in the rice rhizosphere was translocated into other plant parts. Nineteen to 25% of the total atmospheric nitrogen fixed in the rice rhizosphere was found in the roots, leaves and stems, and ears of the rice plants during the 15 N 2 exposure period. (author)

  12. Distribution of total nitrogen and N-15 labelled nitrogen applied to apple trees

    International Nuclear Information System (INIS)

    Calvache, Marcelo.

    1990-01-01

    The efficiency of nitrogen fertilization from one year's application was studied in apple trees. Urea enriched with 1,5% N-15 a.e. was applied to 2 years old apple trees. Two irrigation treatments were studied, Al approx. 200mm/week and A2 approx. 100 mm/week. The distribution of N in the different parts of the trees was determined after 2 months of fertilization and after the experimental trees were excavated. The recovery of labelled fertilizer N was different in the trees in both treatments (Al = 1,2% and A2 = 3,1%). However, the distribution in the tree's parts was similar: 46% in leaves, 34% in branches and 20% in roots. We also determined that sampling only 20% of leaves at the beginning and the end of the experiment it is possible to know the quantity of nitrogen from fertilizer, without the excavation trees

  13. Espectro infrarrojo de [zn(mh34](re042 com substituicion isotópica 14n/15n

    Directory of Open Access Journals (Sweden)

    Claudio Téllez

    1983-11-01

    Full Text Available The infrared spectra of [Zn(15NH34] (Re042 and the isotopoc shift 14N/15N (Zn-n for the metal-ligand band, is reportedInforma-se o espectro infravermelho do complexo de Zn(II, [Zn(15NH341(Re04 e o deslocamento isotópico 14N/15N, para a banda metal - ligante v(Zn-N.

  14. The assessment of nitrogen balance under flooding and saturation circumstances using N-15

    Energy Technology Data Exchange (ETDEWEB)

    Abouseeda, M; Khater, A [National Research Centre, Soil and Water Dept., Cairo (Egypt); Soliman, S [Atomic Energy Authority, Soil and Water Dept., P.O.Box 13759 Cairo (Egypt)

    1995-10-01

    The use{sup 15} N- balance techniques has already identified N-loss as a major problem in lowland rice management. Ammonium sulphate labelled with 5% N-15 atom ex. as a basal fertilized through special column in order to study the effect of flooding and saturation condition on the potential loss of nitrogen fertilizer. Rice straw at a rate of 1% was incorporated with the soil in order to study the role of rice straw (as a source of organic matter) on N-loss. Results show that the application of rice straw under flooding condition resulted in an increase of the biomass. It was observed that flooding circumstances may reduce the loss of nitrogen. Since N-recovery under flood and saturation rhizosphere (with plant) conditions were about 75% and 56%, respectively. The effect of rice root (rhizosphere) on nitrification has been observed. Results of flood and non flood rhizossphere show that the nitrogen recovery were about 75% and 86%, respectively. Results show an indirect evidence that the process of rhizosphere nitrification denitrification resulted in a significant amount of N-loss.It is evident that deep placement and flooded condition proved to be an effective means of reducing the potential of N-loss. 1 fig., 3 tabs.

  15. Production of mungbean under reclaimed sandy soil and irrigation levels using N-15 labeled

    International Nuclear Information System (INIS)

    Abdallah, A.A.G.; Thabet, E.M.A.

    2000-01-01

    Field experiment were performed at the Atomic Energy Authority, Experimental farm, Inshas, Egypt. During 1998 growing season. In tafla and sand mixture soil (1:7 Wt./Wt.). The treatments were laid out using a single line source sprinkler irrigation system which allows a gradual variation of irrigation from excess to little irrigation in which the calculated amount of irrigation water levels were 2241, 1562 and 1093 m 3 / feddan (W 1 , W 2 and W 3 ). The obtained results indicated that, there was a clear relationship between adequate amount of irrigation water and both total seed yield and total green pods/plot as well as there were significant increase in both characters due to irrigation W 1 and W 2 compared with W 3 . The results also indicated that W 2 irrigation level could be used in irrigation under the same conditions. Water use efficiency was significantly increased with middle irrigation level than with other two irrigation treatments. The result concerned fertilizer use efficiency using N 15 labeled fertilizers and total seed protein content were increased with decreasing irrigation level

  16. The assessment of nitrogen balance under flooding and saturation circumstances using N-15

    International Nuclear Information System (INIS)

    Abouseeda, M.; Khater, A.; Soliman, S.

    1995-01-01

    The use 15 N- balance techniques has already identified N-loss as a major problem in lowland rice management. Ammonium sulphate labelled with 5% N-15 atom ex. as a basal fertilized through special column in order to study the effect of flooding and saturation condition on the potential loss of nitrogen fertilizer. Rice straw at a rate of 1% was incorporated with the soil in order to study the role of rice straw (as a source of organic matter) on N-loss. Results show that the application of rice straw under flooding condition resulted in an increase of the biomass. It was observed that flooding circumstances may reduce the loss of nitrogen. Since N-recovery under flood and saturation rhizosphere (with plant) conditions were about 75% and 56%, respectively. The effect of rice root (rhizosphere) on nitrification has been observed. Results of flood and non flood rhizossphere show that the nitrogen recovery were about 75% and 86%, respectively. Results show an indirect evidence that the process of rhizosphere nitrification denitrification resulted in a significant amount of N-loss.It is evident that deep placement and flooded condition proved to be an effective means of reducing the potential of N-loss. 1 fig., 3 tabs

  17. A probabilistic approach for validating protein NMR chemical shift assignments

    International Nuclear Information System (INIS)

    Wang Bowei; Wang, Yunjun; Wishart, David S.

    2010-01-01

    It has been estimated that more than 20% of the proteins in the BMRB are improperly referenced and that about 1% of all chemical shift assignments are mis-assigned. These statistics also reflect the likelihood that any newly assigned protein will have shift assignment or shift referencing errors. The relatively high frequency of these errors continues to be a concern for the biomolecular NMR community. While several programs do exist to detect and/or correct chemical shift mis-referencing or chemical shift mis-assignments, most can only do one, or the other. The one program (SHIFTCOR) that is capable of handling both chemical shift mis-referencing and mis-assignments, requires the 3D structure coordinates of the target protein. Given that chemical shift mis-assignments and chemical shift re-referencing issues should ideally be addressed prior to 3D structure determination, there is a clear need to develop a structure-independent approach. Here, we present a new structure-independent protocol, which is based on using residue-specific and secondary structure-specific chemical shift distributions calculated over small (3-6 residue) fragments to identify mis-assigned resonances. The method is also able to identify and re-reference mis-referenced chemical shift assignments. Comparisons against existing re-referencing or mis-assignment detection programs show that the method is as good or superior to existing approaches. The protocol described here has been implemented into a freely available Java program called 'Probabilistic Approach for protein Nmr Assignment Validation (PANAV)' and as a web server (http://redpoll.pharmacy.ualberta.ca/PANAVhttp://redpoll.pharmacy.ualberta.ca/PANAV) which can be used to validate and/or correct as well as re-reference assigned protein chemical shifts.

  18. Game theory and traffic assignment.

    Science.gov (United States)

    2013-09-01

    Traffic assignment is used to determine the number of users on roadway links in a network. While this problem has : been widely studied in transportation literature, its use of the concept of equilibrium has attracted considerable interest : in the f...

  19. Ultra-violet absorption cross sections of isotopically substituted nitrous oxide species: 14N14NO, 15N14NO, 14N15NO and 15N15NO

    Directory of Open Access Journals (Sweden)

    P. von Hessberg

    2004-01-01

    Full Text Available The isotopically substituted nitrous oxide species 14N14NO, 15N14NO, 14N15NO and 15N15NO were investigated by ultra-violet (UV absorption spectroscopy. High precision cross sections were obtained for the wavelength range 181 to 218nm at temperatures of 233 and 283K. These data are used to calculate photolytic isotopic fractionation constants as a function of wavelength. The fractionation constants were used in a three-dimensional chemical transport model in order to simulate the actual fractionation of N2O in the stratosphere, and the results were found to be in good agreement with field studies.

  20. UOP LDR 300 All Assignments New

    OpenAIRE

    ADMIN

    2018-01-01

    UOP LDR 300 All Assignments New Check this A+ tutorial guideline at http://www.ldr300assignment.com/ldr-300-uop/ldr-300-all-assignments-latest For more classes visit http://www.ldr300assignment.com LDR 300 Week 1 Assignment Leadership Assessment (2 Papers) LDR 300 Week 2 Assignment Leadership Theories Matrix (2 Set) LDR 300 Week 2 Assignment Formulating Leadership Part I (2 Papers) LDR 300 Week 3 Assignment Interaction and Influence Amo...

  1. Mechanism of the reactions 14N(d,p)15N and 14N(d,n)15O by Doppler shift line shape method

    International Nuclear Information System (INIS)

    Abdel-Moneim, A.M.

    1976-06-01

    In this investigation the total and the differential absolute cross sections of the 14 N(d,p) 15 N reaction leading to excited states at 7.3, 8.3 and 9.05 MeV levels in 15 N and the 14 N(d,n) 15 O reaction leading to the 6.79 MeV level in 15 O, have been studied over the energy range from 0.5 MeV to 3 MeV. Doppler shift line shape method as well as γ-ray yield measurements have been used. The absolute cross sections are determined relative to the known 14 N(p,p) elastic differential cross sections. A comparison with previously determined values for the same reactions at selected energies shows good agreement in angular distribution as well as in absolute values. The total cross section for the d,p reaction shows a general energy dependence which is typical for direct reactions, but with minor contribution from compound nucleus formation at certain energy ranges. For the 14 N(d,n) 15 N reaction, the method applied is unique, since it allows the differential cross section to be studied all the way down to the threshold energy of deuterons at 2 MeV, with a detectorsystem efficiency which is constant over the entire range of neutron energies. The larger part of the energy range that has been investigated is dominated by a resonance at 2.55 π+ 0.05 MeV deuteron energy and a halfwidth depending on the amount of contribution from the direct reaction of the order of 200-400 keV. (JIW)

  2. DNA Packaging Specificity of Bacteriophage N15 with an Excursion into the Genetics of a Cohesive End Mismatch.

    Directory of Open Access Journals (Sweden)

    Michael Feiss

    Full Text Available During DNA replication by the λ-like bacteriophages, immature concatemeric DNA is produced by rolling circle replication. The concatemers are processed into mature chromosomes with cohesive ends, and packaged into prohead shells, during virion assembly. Cohesive ends are generated by the viral enzyme terminase, which introduces staggered nicks at cos, an approx. 200 bp-long sequence containing subsites cosQ, cosN and cosB. Interactions of cos subsites of immature concatemeric DNA with terminase orchestrate DNA processing and packaging. To initiate DNA packaging, terminase interacts with cosB and nicks cosN. The cohesive ends of N15 DNA differ from those of λ at 2/12 positions. Genetic experiments show that phages with chromosomes containing mismatched cohesive ends are functional. In at least some infections, the cohesive end mismatch persists through cyclization and replication, so that progeny phages of both allelic types are produced in the infected cell. N15 possesses an asymmetric packaging specificity: N15 DNA is not packaged by phages λ or 21, but surprisingly, N15-specific terminase packages λ DNA. Implications for genetic interactions among λ-like bacteriophages are discussed.

  3. First Measurement of the 14N/15N Ratio in the Analog of the Sun Progenitor OMC-2 FIR4

    Science.gov (United States)

    Kahane, Claudine; Jaber Al-Edhari, Ali; Ceccarelli, Cecilia; López-Sepulcre, Ana; Fontani, Francesco; Kama, Mihkel

    2018-01-01

    We present a complete census of the 14N/15N isotopic ratio in the most abundant N-bearing molecules toward the cold envelope of the protocluster OMC-2 FIR4, the best known Sun progenitor. To this scope, we analyzed the unbiased spectral survey obtained with the IRAM 30 m telescope at 3, 2, and 1 mm. We detected several lines of CN, HCN, HNC, HC3N, N2H+, and their respective 13C and 15N isotopologues. The lines’ relative fluxes are compatible with LTE conditions, and moderate line opacities have been corrected via a population diagram method or theoretical relative intensity ratios of the hyperfine structures. The five species lead to very similar 14N/15N isotopic ratios, without any systematic difference between amine- and nitrile-bearing species as previously found in other protostellar sources. The weighted average of the 14N/15N isotopic ratio is 270 ± 30. This 14N/15N value is remarkably consistent with the [250–350] range measured for the local galactic ratio but significantly differs from the ratio measured in comets (around 140). High-angular resolution observations are needed to examine whether this discrepancy is maintained at smaller scales. In addition, using the CN, HCN, and HC3N lines, we derived a 12C/13C isotopic ratio of 50 ± 5.

  4. Effective Homework Assignments. Research Brief

    Science.gov (United States)

    Cooper, Harris

    2008-01-01

    Perhaps more than any question other than "How much time should students spend doing homework?" parents and educators want to know, "What kinds of homework assignments are most effective?" Clearly, the answers to this question vary according to many factors, especially the developmental level of students and the topic area. Generally, answers are…

  5. Assigning agents to a line

    DEFF Research Database (Denmark)

    Hougaard, Jens Leth; Moreno-Ternero, Juan D.; Østerdal, Lars Peter Raahave

    2014-01-01

    minimizing modification of the classic random priority method to solve this class of problems. We also provide some logical relations in our setting among standard axioms in the literature on assignment problems, and explore the robustness of our results to several extensions of our setting....

  6. Partially-deuterated samples of HET-s(218–289) fibrils: assignment and deuterium isotope effect

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Albert A.; Ravotti, Francesco; Testori, Emilie; Cadalbert, Riccardo; Ernst, Matthias, E-mail: maer@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland); Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [Institut de Biologie et Chimie des Protéines, Bases Moléculaires et Structurales des Systèmes Infectieux, Labex Ecofect, UMR 5086 CNRS, Université de Lyon (France); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

    2017-02-15

    Fast magic-angle spinning and partial sample deuteration allows direct detection of {sup 1}H in solid-state NMR, yielding significant gains in mass sensitivity. In order to further analyze the spectra, {sup 1}H detection requires assignment of the {sup 1}H resonances. In this work, resonance assignments of backbone H{sup N} and Hα are presented for HET-s(218–289) fibrils, based on the existing assignment of Cα, Cβ, C’, and N resonances. The samples used are partially deuterated for higher spectral resolution, and the shifts in resonance frequencies of Cα and Cβ due to the deuterium isotope effect are investigated. It is shown that the deuterium isotope effect can be estimated and used for assigning resonances of deuterated samples in solid-state NMR, based on known resonances of the protonated protein.

  7. Effects of biofertilizers on N-uptake (N-15) of corn (Zea mays L.) plant at early growth-stage

    International Nuclear Information System (INIS)

    Taufiq Bachtiar; Anggi Nico Flatian; Nurrobifahmi; Setiyo Hadi Waluyo

    2016-01-01

    Were studied in pot experiment at the green house in PAIR-BATAN. Broth culture of Azotobacter vinelandii (A), Bacillus cereus (B), Bacillus megaterium (C), and a mixture of those three microbes (ABC) were used as bio-fertilizers, and applied directly on plant grown in pots. Randomized Block Design (RBD) was used in this experiment with six treatments and four replicates. The measured parameters were nitrogen (N) uptake, N derived from the soil, N derived from fertilizer, and plant dry weight. These parameters were determined at 20 days after planting. N derived from bio-fertilizer and N derived from soil were determined by N-15 isotope technique. The results showed that ABC treatment most significantly increase the total N plant (142,42 %) and plant dry weight plant (129.03 %) by the control plant. Based on N-15 isotope technique analysis showed that the significantly contribution to increase N plant was found in ABC treatment (67.92 %). (author)

  8. Resonance capture and Saturn's rings

    International Nuclear Information System (INIS)

    Patterson, C.W.

    1986-05-01

    We have assigned the resonances apparently responsible for the stabilization of the Saturn's shepherd satellites and for the substructure seen in the F-ring and the ringlets in the C-ring. We show that Saturn's narrow ringlets have a substructure determined by three-body resonances with Saturn's ringmoons and the sun. We believe such resonances have important implications to satellite formation. 17 refs., 1 fig., 1 tab

  9. Influence of N-15 labelled urea and azotobacter on corn yield and nitrogen budget as affected by organic matter

    Energy Technology Data Exchange (ETDEWEB)

    Soliman, S M; Abdelmonem, M A [Soil and Water Dept., Atomic Energy Authority, Cairo, (Egypt)

    1995-10-01

    As sandy soils of Egypt are poor in their chemical and physical properties, their fertilization with chemical or biological fertilizer is essential. The reported greenhouse experiment was conducted, using sandy soil of Egypt to evaluate the impact of urea fertilizer, applied alone combined with nitrification inhibitors (DCD) or (N-serve) on (corn yield and N-losses) as compared with inoculation with azotobacter under organic matter treatment as soil amendment. Total dry matter was recorded, while N-uptake by corn, and N-recovery due to inoculation with azotobacter was determined using N-15 dilution technique. Data obtained indicated that, application of DCD or N-serve with urea increased corn dry matter weight as well N-15 recovery. Significant increase in N-recovery was obtained due to nitrification inhibitor application and azotobacter inoculation. N-15 losses were reduced due to application of DCD and N-serve from 45% and respectively. Use of bio fertilizers and nitrification inhibitors could play an important role in corn production in sandy soil, as well as decrease the losses of applied N-fertilizers. fig., 3 tabs.

  10. Influence of N-15 labelled urea and azotobacter on corn yield and nitrogen budget as affected by organic matter

    International Nuclear Information System (INIS)

    Soliman, S.M.; Abdelmonem, M.A.

    1995-01-01

    As sandy soils of Egypt are poor in their chemical and physical properties, their fertilization with chemical or biological fertilizer is essential. The reported greenhouse experiment was conducted, using sandy soil of Egypt to evaluate the impact of urea fertilizer, applied alone combined with nitrification inhibitors (DCD) or (N-serve) on (corn yield and N-losses) as compared with inoculation with azotobacter under organic matter treatment as soil amendment. Total dry matter was recorded, while N-uptake by corn, and N-recovery due to inoculation with azotobacter was determined using N-15 dilution technique. Data obtained indicated that, application of DCD or N-serve with urea increased corn dry matter weight as well N-15 recovery. Significant increase in N-recovery was obtained due to nitrification inhibitor application and azotobacter inoculation. N-15 losses were reduced due to application of DCD and N-serve from 45% and respectively. Use of bio fertilizers and nitrification inhibitors could play an important role in corn production in sandy soil, as well as decrease the losses of applied N-fertilizers. fig., 3 tabs

  11. Covariance NMR Processing and Analysis for Protein Assignment.

    Science.gov (United States)

    Harden, Bradley J; Frueh, Dominique P

    2018-01-01

    During NMR resonance assignment it is often necessary to relate nuclei to one another indirectly, through their common correlations to other nuclei. Covariance NMR has emerged as a powerful technique to correlate such nuclei without relying on error-prone peak peaking. However, false-positive artifacts in covariance spectra have impeded a general application to proteins. We recently introduced pre- and postprocessing steps to reduce the prevalence of artifacts in covariance spectra, allowing for the calculation of a variety of 4D covariance maps obtained from diverse combinations of pairs of 3D spectra, and we have employed them to assign backbone and sidechain resonances in two large and challenging proteins. In this chapter, we present a detailed protocol describing how to (1) properly prepare existing 3D spectra for covariance, (2) understand and apply our processing script, and (3) navigate and interpret the resulting 4D spectra. We also provide solutions to a number of errors that may occur when using our script, and we offer practical advice when assigning difficult signals. We believe such 4D spectra, and covariance NMR in general, can play an integral role in the assignment of NMR signals.

  12. A Statistical Programme Assignment Model

    DEFF Research Database (Denmark)

    Rosholm, Michael; Staghøj, Jonas; Svarer, Michael

    When treatment effects of active labour market programmes are heterogeneous in an observable way  across the population, the allocation of the unemployed into different programmes becomes a particularly  important issue. In this paper, we present a statistical model designed to improve the present...... duration of unemployment spells may result if a statistical programme assignment model is introduced. We discuss several issues regarding the  plementation of such a system, especially the interplay between the statistical model and  case workers....

  13. A note on ranking assignments using reoptimization

    DEFF Research Database (Denmark)

    Pedersen, Christian Roed; Nielsen, L.R.; Andersen, K.A.

    2005-01-01

    We consider the problem of ranking assignments according to cost in the classical linear assignment problem. An algorithm partitioning the set of possible assignments, as suggested by Murty, is presented where, for each partition, the optimal assignment is calculated using a new reoptimization...

  14. An algorithm for ranking assignments using reoptimization

    DEFF Research Database (Denmark)

    Pedersen, Christian Roed; Nielsen, Lars Relund; Andersen, Kim Allan

    2008-01-01

    We consider the problem of ranking assignments according to cost in the classical linear assignment problem. An algorithm partitioning the set of possible assignments, as suggested by Murty, is presented where, for each partition, the optimal assignment is calculated using a new reoptimization...... technique. Computational results for the new algorithm are presented...

  15. Assigning spectra of chaotic molecules with diabatic correlation diagrams

    International Nuclear Information System (INIS)

    Rose, J.P.; Kellman, M.E.

    1996-01-01

    An approach for classifying and organizing spectra of highly excited vibrational states of molecules is investigated. As a specific example, we analyze the spectrum of an effective spectroscopic fitting Hamiltonian for H 2 O. In highly excited spectra, multiple resonance couplings and anharmonicity interact to give branching of the N original normal modes into new anharmonic modes, accompanied by the onset of widespread chaos. The anharmonic modes are identified by means of a bifurcation analysis of the spectroscopic Hamiltonian. A diabatic correlation diagram technique is developed to assign the levels with approximate open-quote open-quote dynamical close-quote close-quote quantum numbers corresponding to the dynamics determined from the bifurcation analysis. The resulting assignment shows significant disturbance from the conventional spectral pattern organization into sequences and progressions. The open-quote open-quote dynamical close-quote close-quote assignment is then converted into an assignment in terms of open-quote open-quote nominal close-quote close-quote quantum numbers that function like the N normal mode quantum numbers at low energy. The nominal assignments are used to reconstruct, as much as possible, an organization of the spectrum resembling the usual separation into sequences and progressions. copyright 1996 American Institute of Physics

  16. Using HL7 in hospital staff assignments.

    Science.gov (United States)

    Unluturk, Mehmet S

    2014-02-01

    Hospital staff assignments are the instructions that allocate the hospital staff members to the hospital beds. Currently, hospital administrators make the assignments without accessing the information regarding the occupancy of the hospital beds and the acuity of the patient. As a result, administrators cannot distinguish between occupied and unoccupied beds, and may therefore assign staff to unoccupied beds. This gives rise to uneven and inefficient staff assignments. In this paper, the hospital admission-discharge-transfer (ADT) system is employed both as a data source and an assignment device to create staff assignments. When the patient data is newly added or modified, the ADT system updates the assignment software client with the relevant data. Based on the relevant data, the assignment software client is able to construct staff assignments in a more efficient way. © 2013 Elsevier Ltd. All rights reserved.

  17. Stereospecific assignment of the asparagine and glutamine sidechain amide protons in proteins from chemical shift analysis

    Energy Technology Data Exchange (ETDEWEB)

    Harsch, Tobias; Schneider, Philipp; Kieninger, Bärbel; Donaubauer, Harald; Kalbitzer, Hans Robert, E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany)

    2017-02-15

    Side chain amide protons of asparagine and glutamine residues in random-coil peptides are characterized by large chemical shift differences and can be stereospecifically assigned on the basis of their chemical shift values only. The bimodal chemical shift distributions stored in the biological magnetic resonance data bank (BMRB) do not allow such an assignment. However, an analysis of the BMRB shows, that a substantial part of all stored stereospecific assignments is not correct. We show here that in most cases stereospecific assignment can also be done for folded proteins using an unbiased artificial chemical shift data base (UACSB). For a separation of the chemical shifts of the two amide resonance lines with differences ≥0.40 ppm for asparagine and differences ≥0.42 ppm for glutamine, the downfield shifted resonance lines can be assigned to H{sup δ21} and H{sup ε21}, respectively, at a confidence level >95%. A classifier derived from UASCB can also be used to correct the BMRB data. The program tool AssignmentChecker implemented in AUREMOL calculates the Bayesian probability for a given stereospecific assignment and automatically corrects the assignments for a given list of chemical shifts.

  18. Lowest-energy cage structures of medium-sized (ZnO){sub n} clusters with n = 15 − 24

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Lingli; Sai, Linwei [School of Mathematical Sciences, Dalian University of Technology, Dalian 116024, China and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China); Zhao, Jijun, E-mail: zhaojj@dlut.edu.cn [College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024, China and Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Qiu, Ruifeng [School of Mathematical Sciences, Dalian University of Technology, Dalian 116024 (China)

    2015-01-22

    Fullerene-like cage structures of medium-sized (ZnO){sub n} clusters with n = 15 − 24 were generated by spiral algorithm and optimized using density functional theory calculations. Most of these lowest-energy cage structures contain only four-membered and six-membered rings, whereas eight-membered rings were found in the lowest-energy cages of (ZnO){sub n} (n = 19, 20, 23, 24). Our best cage configurations either reproduce or prevail the previously reported ones. The size-dependent electronic properties were also discussed.

  19. Dry weight and N-uptake by rice plants fertilized with azolla and N-15 enriched urea

    International Nuclear Information System (INIS)

    Abdel-Monem, M.; Gadalla, A.M.; Abbady, Kh.

    1994-01-01

    Integrated soil fertility management is essential if soil productivity is to be sustained or improved. In view the recently high cost of N-fertilizers, interest was generated in using Azolla in rice fields. A greenhouse experiment was conducted to study the fate of N-15 labelled urea to rice with or without Azolla application, also to examine the effect of the soil moisture regime at the time of urea application on nitrogen recovery. The results indicated that addition of urea to dry soil gave more than 20% of the rice dry matter as compared to the urea application to wet soil which was also reflected on the N-uptake by the rice. Also N-15 recovery by plant was increased from 22% to 41% when urea was applied to wet and dry soil respectively. At the same time N-losses dropped from 62% to 29%. Addition of Azolla to rice provided rice with 63% of the nitrogen provided by urea, this may be attributed not only to N-fixation by Azolla, but also to its role in reducing the N-losses. Application of Azolla reduced the losses of applied nitrogen from 45.5% to 22.5%. Thus, integration between Azolla and urea is valuable in N-fixation as well as inhibiting nitrogen losses. 2 tabs

  20. Integrated assignment and path planning

    Science.gov (United States)

    Murphey, Robert A.

    2005-11-01

    A surge of interest in unmanned systems has exposed many new and challenging research problems across many fields of engineering and mathematics. These systems have the potential of transforming our society by replacing dangerous and dirty jobs with networks of moving machines. This vision is fundamentally separate from the modern view of robotics in that sophisticated behavior is realizable not by increasing individual vehicle complexity, but instead through collaborative teaming that relies on collective perception, abstraction, decision making, and manipulation. Obvious examples where collective robotics will make an impact include planetary exploration, space structure assembly, remote and undersea mining, hazardous material handling and clean-up, and search and rescue. Nonetheless, the phenomenon driving this technology trend is the increasing reliance of the US military on unmanned vehicles, specifically, aircraft. Only a few years ago, following years of resistance to the use of unmanned systems, the military and civilian leadership in the United States reversed itself and have recently demonstrated surprisingly broad acceptance of increasingly pervasive use of unmanned platforms in defense surveillance, and even attack. However, as rapidly as unmanned systems have gained acceptance, the defense research community has discovered the technical pitfalls that lie ahead, especially for operating collective groups of unmanned platforms. A great deal of talent and energy has been devoted to solving these technical problems, which tend to fall into two categories: resource allocation of vehicles to objectives, and path planning of vehicle trajectories. An extensive amount of research has been conducted in each direction, yet, surprisingly, very little work has considered the integrated problem of assignment and path planning. This dissertation presents a framework for studying integrated assignment and path planning and then moves on to suggest an exact

  1. Managing voluntary turnover through challenging assignments

    NARCIS (Netherlands)

    Preenen, P.T.Y.; de Pater, I.E.; van Vianen, A.E.M.; Keijzer, L.

    2011-01-01

    This study examines employees’ challenging assignments as manageable means to reduce turnover intentions, job search behaviors, and voluntary turnover. Results indicate that challenging assignments are negatively related to turnover intentions and job search behaviors and that these relationships

  2. Managing voluntary turnover through challenging assignments

    NARCIS (Netherlands)

    Preenen, P.T.Y.; Pater, I.E. de; Vianen, A.E.M. van; Keijzer, L.

    2011-01-01

    This study examines employees' challenging assignments as manageable means to reduce turnover intentions, job search behaviors, and voluntary turnover. Results indicate that challenging assignments are negatively related to turnover intentions and job search behaviors and that these relationships

  3. Automatic Assignment of Methyl-NMR Spectra of Supramolecular Machines Using Graph Theory.

    Science.gov (United States)

    Pritišanac, Iva; Degiacomi, Matteo T; Alderson, T Reid; Carneiro, Marta G; Ab, Eiso; Siegal, Gregg; Baldwin, Andrew J

    2017-07-19

    Methyl groups are powerful probes for the analysis of structure, dynamics and function of supramolecular assemblies, using both solution- and solid-state NMR. Widespread application of the methodology has been limited due to the challenges associated with assigning spectral resonances to specific locations within a biomolecule. Here, we present Methyl Assignment by Graph Matching (MAGMA), for the automatic assignment of methyl resonances. A graph matching protocol examines all possibilities for each resonance in order to determine an exact assignment that includes a complete description of any ambiguity. MAGMA gives 100% accuracy in confident assignments when tested against both synthetic data, and 9 cross-validated examples using both solution- and solid-state NMR data. We show that this remarkable accuracy enables a user to distinguish between alternative protein structures. In a drug discovery application on HSP90, we show the method can rapidly and efficiently distinguish between possible ligand binding modes. By providing an exact and robust solution to methyl resonance assignment, MAGMA can facilitate significantly accelerated studies of supramolecular machines using methyl-based NMR spectroscopy.

  4. 24 CFR 221.255 - Assignment option.

    Science.gov (United States)

    2010-04-01

    ... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Assignment option. 221.255 Section... Assignment option. (a) A mortgagee holding a mortgage insured pursuant to a conditional or firm commitment issued on or before November 30, 1983 has the option to assign, transfer and deliver to the Commissioner...

  5. 24 CFR 221.770 - Assignment option.

    Science.gov (United States)

    2010-04-01

    ... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Assignment option. 221.770 Section... § 221.770 Assignment option. A mortgagee holding a conditional or firm commitment issued on or before... mortgagee's approved underwriter on or before November 30, 1983) has the option to assign, transfer and...

  6. Solving the rectangular assignment problem and applications

    NARCIS (Netherlands)

    Bijsterbosch, J.; Volgenant, A.

    2010-01-01

    The rectangular assignment problem is a generalization of the linear assignment problem (LAP): one wants to assign a number of persons to a smaller number of jobs, minimizing the total corresponding costs. Applications are, e.g., in the fields of object recognition and scheduling. Further, we show

  7. Characterization of mu s-ms dynamics of proteins using a combined analysis of N-15 NMR relaxation and chemical shift: Conformational exchange in plastocyanin induced by histidine protonations

    DEFF Research Database (Denmark)

    Hass, M. A. S.; Thuesen, Marianne Hallberg; Christensen, Hans Erik Mølager

    2004-01-01

    of the exchanging species can be determined independently of the relaxation rates. The applicability of the approach is demonstrated by a detailed analysis of the conformational exchange processes previously observed in the reduced form of the blue copper protein, plastocyanin from the cyanobacteria Anabaena......An approach is presented that allows a detailed, quantitative characterization of conformational exchange processes in proteins on the mus-ms time scale. The approach relies on a combined analysis of NMR relaxation rates and chemical shift changes and requires that the chemical shift...... quantitatively by the correlation between the R-ex terms and the corresponding chemical shift differences of the exchanging species. By this approach, the R-ex terms of N-15 nuclei belonging to contiguous regions in the protein could be assigned to the same exchange process. Furthermore, the analysis...

  8. Effect of preliminary neutron irradiation on helium blistering of 0Kh16N15M3B steel

    International Nuclear Information System (INIS)

    Chernov, I.I.; Kalin, B.A.; Skorov, D.M.; Shishkin, G.N.; Ivanov, M.V.

    1982-01-01

    The method of electron microscopy has been applied to investigate the effect of preliminary neutron irradiation on the OKh16N15M3B steel blistering under irradiation by 20 keV helium ions with (1-10)x10 21 ion/m 2 doses at the temperature below 373 K. It is shown that neutron irradiation shifts critical doses of blister formation and intense scaling towards higher doses. But after the incubation period the erosion of steel preliminary neutron irradiated grows with the increase of helium ion dose above 7x10 21 ion/m 2 . Short-term heating of neutron irradiated samples during 15 min at 1173 K does not practically affect the beginning of intense scaling of the surface

  9. Measurement of the 20 and 90 keV Resonances in the O-18(p,alpha)N-15 Reaction via the Trojan Horse Method

    Czech Academy of Sciences Publication Activity Database

    La Cognata, M.; Spitareli, C.; Mukhamedzhanov, A. M.; Irgaziev, B.; Tribble, R. E.; Banu, A.; Cherubini, S.; Coc, A.; Crucilla, V.; Goldberg, V.Z.; Gulino, M.; Kiss, G. G.; Lamia, L.; Mrázek, Jaromír; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Tabacaru, G.; Trache, L.; Trzaska, W.; Tumino, A.

    2008-01-01

    Roč. 101, č. 15 (2008), 152501/1-152501/4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z10480505 Keywords : ASYMPTOTIC GIANT BRANCH * O-18 * ENERGIES Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 7.180, year: 2008

  10. Nitrogen content and delta N-15 of marine algae and associated waters of Maui, Hawaii, from 2012-07-28 to 2014-04-01 (NCEI Accession 0156294)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This data set includes nutrient data related to algal and water samples collected between 2012 and 2014 on Maui, Hawaii. Algal tissue N%, C:N ratios, and delta N-15...

  11. CASA: An Efficient Automated Assignment of Protein Mainchain NMR Data Using an Ordered Tree Search Algorithm

    International Nuclear Information System (INIS)

    Wang Jianyong; Wang Tianzhi; Zuiderweg, Erik R. P.; Crippen, Gordon M.

    2005-01-01

    Rapid analysis of protein structure, interaction, and dynamics requires fast and automated assignments of 3D protein backbone triple-resonance NMR spectra. We introduce a new depth-first ordered tree search method of automated assignment, CASA, which uses hand-edited peak-pick lists of a flexible number of triple resonance experiments. The computer program was tested on 13 artificially simulated peak lists for proteins up to 723 residues, as well as on the experimental data for four proteins. Under reasonable tolerances, it generated assignments that correspond to the ones reported in the literature within a few minutes of CPU time. The program was also tested on the proteins analyzed by other methods, with both simulated and experimental peaklists, and it could generate good assignments in all relevant cases. The robustness was further tested under various situations

  12. Practical aspects of NMR signal assignment in larger and challenging proteins

    Science.gov (United States)

    Frueh, Dominique P.

    2014-01-01

    NMR has matured into a technique routinely employed for studying proteins in near physiological conditions. However, applications to larger proteins are impeded by the complexity of the various correlation maps necessary to assign NMR signals. This article reviews the data analysis techniques traditionally employed for resonance assignment and describes alternative protocols necessary for overcoming challenges in large protein spectra. In particular, simultaneous analysis of multiple spectra may help overcome ambiguities or may reveal correlations in an indirect manner. Similarly, visualization of orthogonal planes in a multidimensional spectrum can provide alternative assignment procedures. We describe examples of such strategies for assignment of backbone, methyl, and nOe resonances. We describe experimental aspects of data acquisition for the related experiments and provide guidelines for preliminary studies. Focus is placed on large folded monomeric proteins and examples are provided for 37, 48, 53, and 81 kDa proteins. PMID:24534088

  13. Resonance Raman Optical Activity and Surface Enhanced Resonance Raman Optical Activity analysis of Cytochrome C

    DEFF Research Database (Denmark)

    Johannessen, Christian; Abdali, Salim; White, Peter C.

    2007-01-01

    High quality Resonance Raman (RR) and resonance Raman Optical Activity (ROA) spectra of cytochrome c were obtained in order to perform full assignment of spectral features of the resonance ROA spectrum. The resonance ROA spectrum of cytochrome c revealed a distinct spectral signature pattern due...... to resonance enhanced skeletal porphyrin vibrations, more pronounced than any contribution from the protein back-bone. Combining the intrinsic resonance enhancement of cytochrome c with surface plasmon enhancement by colloidal silver particles, the Surface Enhanced Resonance Raman Scattering (SERRS) and Chiral...... Enhanced Raman Spectroscopy (ChERS) spectra of the protein were successfully obtained at very low concentration (as low as 1 µM). The assignment of spectral features was based on the information obtained from the RR and resonance ROA spectra. Excellent agreement between RR and SERRS spectra is reported...

  14. Backbone and sidechain 1H, 13C and 15N resonance assignments of the human brain-type fatty acid binding protein (FABP7) in its apo form and the holo forms binding to DHA, oleic acid, linoleic acid and elaidic acid

    DEFF Research Database (Denmark)

    Oeemig, Jesper S; Jørgensen, Mathilde L; Hansen, Mikka S

    2009-01-01

    In this manuscript, we present the backbone and side chain assignments of human brain-type fatty acid binding protein, also known as FABP7, in its apo form and in four different holo forms, bound to DHA, oleic acid, linoleic acid and elaidic acid.......In this manuscript, we present the backbone and side chain assignments of human brain-type fatty acid binding protein, also known as FABP7, in its apo form and in four different holo forms, bound to DHA, oleic acid, linoleic acid and elaidic acid....

  15. AUTOBA: automation of backbone assignment from HN(C)N suite of experiments.

    Science.gov (United States)

    Borkar, Aditi; Kumar, Dinesh; Hosur, Ramakrishna V

    2011-07-01

    Development of efficient strategies and automation represent important milestones of progress in rapid structure determination efforts in proteomics research. In this context, we present here an efficient algorithm named as AUTOBA (Automatic Backbone Assignment) designed to automate the assignment protocol based on HN(C)N suite of experiments. Depending upon the spectral dispersion, the user can record 2D or 3D versions of the experiments for assignment. The algorithm uses as inputs: (i) protein primary sequence and (ii) peak-lists from user defined HN(C)N suite of experiments. In the end, one gets H(N), (15)N, C(α) and C' assignments (in common BMRB format) for the individual residues along the polypeptide chain. The success of the algorithm has been demonstrated, not only with experimental spectra recorded on two small globular proteins: ubiquitin (76 aa) and M-crystallin (85 aa), but also with simulated spectra of 27 other proteins using assignment data from the BMRB.

  16. Study of some excited states in 21Ne-21Na, 18O-18F and 15N-15O nuclei

    International Nuclear Information System (INIS)

    Drain, D.

    1977-01-01

    The study of 21 Ne- 21 Na, 18 O- 18 F and 15 N- 15 O nuclei was performed through proton capture and transfer reactions and allows to determine the spins and parities of some excited states, give the gamma deexcitation schemes of these levels, compute the neutron and proton reduced width γ 2 sub(n) and γ 2 sub(p). The levels studied are: in 21 Na 4.15 20 Ne(p,p), (p,p'), (p,p'γ) and (pγ) reactions) and in 21 Ne: E(exc)=4.73, 5.69 and 5.78 MeV ( 20 Ne (p,p) reaction); in 18 O: E(exc) 17 O(d,p) reaction); in 15 O: 8.92 MeV doublet and 8.98 MeV level (angular correlation 14 N(p,γγ) and in 15 N: 9.05 14 N(d,p) reaction). A comparison with theoretical results is discussed and analog states are pointed out [fr

  17. 32 CFR 884.2 - Assigned responsibilities.

    Science.gov (United States)

    2010-07-01

    ... OF PERSONNEL TO UNITED STATES CIVILIAN AUTHORITIES FOR TRIAL § 884.2 Assigned responsibilities. (a... 32 National Defense 6 2010-07-01 2010-07-01 false Assigned responsibilities. 884.2 Section 884.2... requests for return of members to the United States for delivery to civilian authorities when the request...

  18. 12 CFR 563e.28 - Assigned ratings.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 5 2010-01-01 2010-01-01 false Assigned ratings. 563e.28 Section 563e.28 Banks... for Assessing Performance § 563e.28 Assigned ratings. (a) Ratings in general. Subject to paragraphs (b... performance under the lending, investment and service tests, the community development test, the small savings...

  19. Stress Assignment in Reading Italian Polysyllabic Pseudowords

    Science.gov (United States)

    Sulpizio, Simone; Arduino, Lisa S.; Paizi, Despina; Burani, Cristina

    2013-01-01

    In 4 naming experiments we investigated how Italian readers assign stress to pseudowords. We assessed whether participants assign stress following distributional information such as stress neighborhood (the proportion and number of existent words sharing orthographic ending and stress pattern) and whether such distributional information affects…

  20. Assignment of element and isotope factors

    International Nuclear Information System (INIS)

    Schneider, R.A.

    1984-01-01

    Element and isotope factors are assigned in the NICS internal accounting system at the Exxon Fuel Fabrication Facility on the basis of coded information included on the material transfer documents. This paper explains more fully the manner in which NICS assigns these factors

  1. Detecting Plagiarism in MS Access Assignments

    Science.gov (United States)

    Singh, Anil

    2013-01-01

    Assurance of individual effort from students in computer-based assignments is a challenge. Due to digitization, students can easily use a copy of their friend's work and submit it as their own. Plagiarism in assignments puts students who cheat at par with those who work honestly and this compromises the learning evaluation process. Using a…

  2. Automated backbone assignment of labeled proteins using the threshold accepting algorithm

    International Nuclear Information System (INIS)

    Leutner, Michael; Gschwind, Ruth M.; Liermann, Jens; Schwarz, Christian; Gemmecker, Gerd; Kessler, Horst

    1998-01-01

    The sequential assignment of backbone resonances is the first step in the structure determination of proteins by heteronuclear NMR. For larger proteins, an assignment strategy based on proton side-chain information is no longer suitable for the use in an automated procedure. Our program PASTA (Protein ASsignment by Threshold Accepting) is therefore designed to partially or fully automate the sequential assignment of proteins, based on the analysis of NMR backbone resonances plus C β information. In order to overcome the problems caused by peak overlap and missing signals in an automated assignment process, PASTA uses threshold accepting, a combinatorial optimization strategy, which is superior to simulated annealing due to generally faster convergence and better solutions. The reliability of this algorithm is shown by reproducing the complete sequential backbone assignment of several proteins from published NMR data. The robustness of the algorithm against misassigned signals, noise, spectral overlap and missing peaks is shown by repeating the assignment with reduced sequential information and increased chemical shift tolerances. The performance of the program on real data is finally demonstrated with automatically picked peak lists of human nonpancreatic synovial phospholipase A 2 , a protein with 124 residues

  3. Real life working shift assignment problem

    Science.gov (United States)

    Sze, San-Nah; Kwek, Yeek-Ling; Tiong, Wei-King; Chiew, Kang-Leng

    2017-07-01

    This study concerns about the working shift assignment in an outlet of Supermarket X in Eastern Mall, Kuching. The working shift assignment needs to be solved at least once in every month. Current approval process of working shifts is too troublesome and time-consuming. Furthermore, the management staff cannot have an overview of manpower and working shift schedule. Thus, the aim of this study is to develop working shift assignment simulation and propose a working shift assignment solution. The main objective for this study is to fulfill manpower demand at minimum operation cost. Besides, the day off and meal break policy should be fulfilled accordingly. Demand based heuristic is proposed to assign working shift and the quality of the solution is evaluated by using the real data.

  4. Mars - robust automatic backbone assignment of proteins

    International Nuclear Information System (INIS)

    Jung, Young-Sang; Zweckstetter, Markus

    2004-01-01

    MARS a program for robust automatic backbone assignment of 13 C/ 15 N labeled proteins is presented. MARS does not require tight thresholds for establishing sequential connectivity or detailed adjustment of these thresholds and it can work with a wide variety of NMR experiments. Using only 13 C α / 13 C β connectivity information, MARS allows automatic, error-free assignment of 96% of the 370-residue maltose-binding protein. MARS can successfully be used when data are missing for a substantial portion of residues or for proteins with very high chemical shift degeneracy such as partially or fully unfolded proteins. Other sources of information, such as residue specific information or known assignments from a homologues protein, can be included into the assignment process. MARS exports its result in SPARKY format. This allows visual validation and integration of automated and manual assignment

  5. Multiphoton resonances

    International Nuclear Information System (INIS)

    Shore, B.W.

    1977-01-01

    The long-time average of level populations in a coherently-excited anharmonic sequence of energy levels (e.g., an anharmonic oscillator) exhibits sharp resonances as a function of laser frequency. For simple linearly-increasing anharmonicity, each resonance is a superposition of various multiphoton resonances (e.g., a superposition of 3, 5, 7, . . . photon resonances), each having its own characteristic width predictable from perturbation theory

  6. Conformation of antifreeze glycoproteins as determined from conformational energy calculations and fully assigned proton NMR spectra

    International Nuclear Information System (INIS)

    Bush, C.A.; Rao, B.N.N.

    1986-01-01

    The 1 H NMR spectra of AFGP's ranging in molecular weight from 2600 to 30,000 Daltons isolated from several different species of polar fish have been measured. The spectrum of AFGP 1-4 from Pagothenia borchgrevinki with an average of 30 repeating subunits has a single resonance for each proton of the glycotripeptide repeating unit, (ala-[gal-(β-1→3) galNAc-(α--O-]thr-ala)/sub n/. Its 1 H NMR spectrum including resonances of the amide protons has been completely assigned. Coupling constants and nuclear Overhauser enhancements (n.O.e.) between protons on distant residues imply conformational order. The 2600 dalton molecular weight glycopeptides (AFGP-8) have pro in place of ala at certain specific points in the sequence and AFGP-8R of Eleginus gracilis has arg in place of one thr. The resonances of pro and arg were assigned by decoupling. The resonances of the carboxy and amino terminals have distinct chemical shifts and were assigned in AFGP-8 of Boreogadus saida by titration. n.O.e. between α--protons and amide protons of the adjacent residue (sequential n.O.e.) were used in assignments of additional resonances and to assign the distinctive resonances of thr followed by pro. Conformational energy calculations on the repeating glycotripeptide subunit of AFGP show that the α--glucosidic linkage has a fixed conformation while the β--linkage is less rigid. A conformational model for AFGP 1-4, which is based on the calculations has the peptide in an extended left-handed helix with three residues per turn similar to polyproline II. The model is consistent with CD data, amide proton coupling constants, temperature dependence of amide proton chemical shifts

  7. A chemical perspective of day and night tropical (10°N-15°N) mesospheric inversion layers

    Science.gov (United States)

    Ramesh, K.; Sridharan, S.; Raghunath, K.; Rao, S. Vijaya Bhaskara

    2017-03-01

    The various occurrence characteristics of day and night tropical (10°N-15°N, 60°E-90°E) mesospheric inversion layers (MILs) are studied by using TIMED Sounding of the Atmosphere using Broadband Emission Radiometry satellite data products of kinetic temperature; volume mixing ratios of O, H, and O3; volume emission rates of O2 (1Δ) and OH (1.6 µm channel), and chemical heating rates due to seven dominant exothermic reactions among H, O, O2, O3, OH, HO2, and CO2 cooling rates for the year 2011. Although both dynamics and chemistry play important roles, the present study mainly focuses on the chemical processes involved in the formation of day and night MILs. It is found that the upper level height of daytime (nighttime) MIL descends (ascends) from 88 km ( 80 km) in winter to 72 km ( 90 km) in summer. The day and night inversion amplitudes are correlated with total chemical heating rates and CO2 cooling rates, and they show semi annual variation with larger (smaller) values during equinoxes (solstices). The daytime (nighttime) inversion layers are predominantly due to the exothermic reaction, R5: O + O + M → O2 + M and R6: O + O2 + M → O3 + M (R3: H + O3 → OH + O2). In addition, the CO2 causes large cooling at the top and small heating at the bottom levels of both day and night MILs. In the absence of dynamical effects, the chemical heating and CO2 cooling jointly contribute for the occurrence of day and night MILs.

  8. Resonance Raman study of benzyl radical

    DEFF Research Database (Denmark)

    Langkilde, F.W.; Bajdor, K.; Wilbrandt, R.

    1992-01-01

    Time-resolved resonance Raman spectra are obtained of benzyl radicals created by laser flash photolysis of benzylchloride and diphenylacetone in solution. The spectra are obtained in resonance with the intense 2 2A2-1 B-2(2) transition of benzyl. The strong Raman bands are assigned to totally...... symmetric a1 modes. The remaining observed bands are tentatively assigned to fundamental modes of b1, a2, and b2 symmetry, and to overtones and combinations. The resonance Raman spectra are found to be quite different from previous fluorescence spectra of benzyl, and the origins of these differences...

  9. Estimating legume N-2 fixation in grass-clover mixtures of a grazed organic cropping system using two N-15 methods

    DEFF Research Database (Denmark)

    Vinther, F.P.; Jensen, E.S.

    2000-01-01

    The input of Nitrogen (N) through symbiotic N-2 fixation (SNF) in grass-clover mixtures was determined in an organic cropping. system for grazing during 3 years. The mixture of perennial ryegrass (Lolium perenne L.) and white clover (Trifolium repens L.) was established by undersowing in spring...... barley (Hordeum vulgare L.) and maintained subsequently for two production years. Dinitrogen fixation was determined using the N-15 isotope dilution techniques and two labelling procedures. Using either pre-labelling of the soil with immobilisation of the N-15 by addition of a carbon source before...

  10. The assignment of dissociative electron attachment bands in compounds containing hydroxyl and amino groups

    International Nuclear Information System (INIS)

    Skalicky, Tomas; Allan, Michael

    2004-01-01

    Dissociative electron attachment (DEA) spectra were recorded for methanol, phenol, diethylamine, tetramethylhydrazine, piperazine, pyrrole and N,N-dimethylaniline. Comparison with He I photoelectron spectra permitted the assignment of virtually all DEA bands in the saturated compounds to core excited Feshbach resonances with double occupation of Rydberg-like orbitals and various Koopmans' states of the positive ion as a core. These resonances shift to lower energies with alkyl substitution, in contrast to the shape resonances, and are found at surprisingly low energies in the amines. The DEA spectra in the unsaturated compounds show no or only weak evidence for the Rydberg-type Feshbach resonances. It is proposed that DEA in saturated polyatomic molecules containing hydroxyl and amino groups is in general dominated by this type of resonance

  11. Postgraduate diploma collaborative assignment: Implications for ...

    African Journals Online (AJOL)

    Postgraduate diploma collaborative assignment: Implications for ESL students ... and collaborative teaching/learning model involving the major course convenors. ... The quality of the work and mood of all concerned improved tremendously.

  12. Dynamic traffic assignment : genetic algorithms approach

    Science.gov (United States)

    1997-01-01

    Real-time route guidance is a promising approach to alleviating congestion on the nations highways. A dynamic traffic assignment model is central to the development of guidance strategies. The artificial intelligence technique of genetic algorithm...

  13. Statistical aspects of optimal treatment assignment

    OpenAIRE

    van der Linden, Willem J.

    1980-01-01

    The issues of treatment assignment is ordinarily dealt with within the framework of testing aptitude treatment interaction (ATI) hypothesis. ATI research mostly uses linear regression techniques, and an ATI exists when the aptitude treatment (AT) regression lines cross each other within the relevant interval of the aptitude variable. Consistent with this approach is the use of the points of interaction of AT regression lines as treatment-assignment rule. The replacement of such rules by monot...

  14. On pole structure assignment in linear systems

    Czech Academy of Sciences Publication Activity Database

    Loiseau, J.-J.; Zagalak, Petr

    2009-01-01

    Roč. 82, č. 7 (2009), s. 1179-1192 ISSN 0020-7179 R&D Projects: GA ČR(CZ) GA102/07/1596 Institutional research plan: CEZ:AV0Z10750506 Keywords : linear systems * linear state feedback * pole structure assignment Subject RIV: BC - Control Systems Theory Impact factor: 1.124, year: 2009 http://library.utia.cas.cz/separaty/2009/AS/zagalak-on pole structure assignment in linear systems.pdf

  15. Competitive Traffic Assignment in Road Networks

    Directory of Open Access Journals (Sweden)

    Krylatov Alexander Y.

    2016-09-01

    Full Text Available Recently in-vehicle route guidance and information systems are rapidly developing. Such systems are expected to reduce congestion in an urban traffic area. This social benefit is believed to be reached by imposing the route choices on the network users that lead to the system optimum traffic assignment. However, guidance service could be offered by different competitive business companies. Then route choices of different mutually independent groups of users may reject traffic assignment from the system optimum state. In this paper, a game theoretic approach is shown to be very efficient to formalize competitive traffic assignment problem with various groups of users in the form of non-cooperative network game with the Nash equilibrium search. The relationships between the Wardrop’s system optimum associated with the traffic assignment problem and the Nash equilibrium associated with the competitive traffic assignment problem are investigated. Moreover, some related aspects of the Nash equilibrium and the Wardrop’s user equilibrium assignments are also discussed.

  16. PARAssign-paramagnetic NMR assignments of protein nuclei on the basis of pseudocontact shifts

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Simon P., E-mail: skinnersp@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands); Moshev, Mois, E-mail: mois@monomon.me [Leiden University, Leiden Institute of Advanced Computer Science (Netherlands); Hass, Mathias A. S., E-mail: hassmas@chem.leidenuniv.nl; Ubbink, Marcellus, E-mail: m.ubbink@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands)

    2013-04-15

    The use of paramagnetic NMR data for the refinement of structures of proteins and protein complexes is widespread. However, the power of paramagnetism for protein assignment has not yet been fully exploited. PARAssign is software that uses pseudocontact shift data derived from several paramagnetic centers attached to the protein to obtain amide and methyl assignments. The ability of PARAssign to perform assignment when the positions of the paramagnetic centers are known and unknown is demonstrated. PARAssign has been tested using synthetic data for methyl assignment of a 47 kDa protein, and using both synthetic and experimental data for amide assignment of a 14 kDa protein. The complex fitting space involved in such an assignment procedure necessitates that good starting conditions are found, both regarding placement and strength of paramagnetic centers. These starting conditions are obtained through automated tensor placement and user-defined tensor parameters. The results presented herein demonstrate that PARAssign is able to successfully perform resonance assignment in large systems with a high degree of reliability. This software provides a method for obtaining the assignments of large systems, which may previously have been unassignable, by using 2D NMR spectral data and a known protein structure.

  17. Unambiguous assigning of the signals of the nuclear magnetic resonance spectra of {sup 1} H and {sup 13} C of monoterpenes using computational methods; Asignacion inequivoca de las senales del espectro de resonancia magnetica nuclear de {sup 1} H y {sup 13} C de monoterpenos empleando metodos computacionales

    Energy Technology Data Exchange (ETDEWEB)

    Cortes, F.; Cuevas, G.; Tenorio, J.; Rochin, A.L. [Universidad Nacional Autonoma de Mexico, Instituto de Quimica, A.P. 70213, 04510 Mexico D.F. (Mexico)

    2000-07-01

    Ab initio calculations, within the frame of Density Functional Theory were carried out on camphene and {alpha}-pinene. The {sup 1} H and {sup 13} C shifts were estimated according to the recently developed Sum-Over-States Density Functional Perturbation Theory (SOS-DFPT) as implemented in a modified deMon-KS program. The calculations not only reproduced the observed NMR chemical shifts, quantitatively in the case of {sup 1} H nuclei and qualitatively in the case of {sup 13} C nuclei, but also allow assigning unambiguously the signal on these spectra. (Author)

  18. Flexible taxonomic assignment of ambiguous sequencing reads

    Directory of Open Access Journals (Sweden)

    Jansson Jesper

    2011-01-01

    Full Text Available Abstract Background To characterize the diversity of bacterial populations in metagenomic studies, sequencing reads need to be accurately assigned to taxonomic units in a given reference taxonomy. Reads that cannot be reliably assigned to a unique leaf in the taxonomy (ambiguous reads are typically assigned to the lowest common ancestor of the set of species that match it. This introduces a potentially severe error in the estimation of bacteria present in the sample due to false positives, since all species in the subtree rooted at the ancestor are implicitly assigned to the read even though many of them may not match it. Results We present a method that maps each read to a node in the taxonomy that minimizes a penalty score while balancing the relevance of precision and recall in the assignment through a parameter q. This mapping can be obtained in time linear in the number of matching sequences, because LCA queries to the reference taxonomy take constant time. When applied to six different metagenomic datasets, our algorithm produces different taxonomic distributions depending on whether coverage or precision is maximized. Including information on the quality of the reads reduces the number of unassigned reads but increases the number of ambiguous reads, stressing the relevance of our method. Finally, two measures of performance are described and results with a set of artificially generated datasets are discussed. Conclusions The assignment strategy of sequencing reads introduced in this paper is a versatile and a quick method to study bacterial communities. The bacterial composition of the analyzed samples can vary significantly depending on how ambiguous reads are assigned depending on the value of the q parameter. Validation of our results in an artificial dataset confirm that a combination of values of q produces the most accurate results.

  19. Synchrobetatron resonances

    International Nuclear Information System (INIS)

    1977-03-01

    At the 1975 Particle Accelerator Conference it was reported that a class of resonances were observed in SPEAR II that had not appeared before in SPEAR I. While the existence of sideband resonances of the main betatron oscillation frequencies has been previously observed and analyzed, the resonances observed in SPEAR do not appear to be of the same variety. Experiments were performed at SPEAR to identify the mechanism believed to be the most likely explanation. Some of the current experimental knowledge and theoretical views on the source of these resonances are presented

  20. Snake resonances

    International Nuclear Information System (INIS)

    Tepikian, S.

    1988-01-01

    Siberian Snakes provide a practical means of obtaining polarized proton beams in large accelerators. The effect of snakes can be understood by studying the dynamics of spin precession in an accelerator with snakes and a single spin resonance. This leads to a new class of energy independent spin depolarizing resonances, called snake resonances. In designing a large accelerator with snakes to preserve the spin polarization, there is an added constraint on the choice of the vertical betatron tune due to the snake resonances. 11 refs., 4 figs

  1. Exploring symbiotic nitrogen fixation and assimilation in pea root nodules by in vivo 15N nuclear magnetic resonance spectroscopy and liquid chromatography-mass spectrometry

    DEFF Research Database (Denmark)

    Scharff, A.M.; Egsgaard, H.; Hansen, P.E.

    2003-01-01

    Nitrogen (N) fixation and assimilation in pea (Pisum sativum) root nodules were studied by in vivo N-15 nuclear magnetic resonance (NMR) by exposing detached nodules to N-15, via a perfusion medium, while recording a time course of spectra. In vivo P-31 NMR spectroscopy was used to monitor...... the physiological state of the metabolically active nodules. The nodules were extracted after the NMR studies and analyzed for total soluble amino acid pools and N-15 labeling of individual amino acids by liquid chromatography-mass spectrometry. A substantial pool of free ammonium was observed by N-15 NMR...... labeling of Asn was observed by liquid chromatography-mass spectrometry, which is consistent with the generally accepted role of Asn as the end product of primary N assimilation in pea nodules. However, the Asn N-15 amino signal was absent in in vivo N-15 NMR spectra, which could be because...

  2. First Trimester Fetal Gender Assignment by Ultrasound

    Directory of Open Access Journals (Sweden)

    Sabahattin Altunyurt

    2010-03-01

    Full Text Available Objective: To investigate the efficiency of genital tubercule angle on detecting fetal gender in first trimester by ultrasonography. Material-Method: Fetal sex assignment by ultrasound was carried out in 172 pregnancies at 11-13+6 weeks between 2007 June and 2007 December. Gestational age was determined by the measurement of crown-rump length (CRL. The ultrasound predictions were compared with actual sex at birth. Mid-sagittal planes of a section of the fetal genital tubercle were performed to identify the gender. Results: 155 of 172 patients’ data were achieved. The overall success rate was 92.3 % in sonographic assignment of fetal sex. The correct assignment rate in female fetuses was significantly higher than males (95.9 % - 88.8 % [p=0,001]. The correct identification of fetal sex improved with advancing gestational age from 89.3 % between 11-11+6 weeks, 92.5 % between 12-12+6 weeks and 93.4 % between 13-13+6 weeks (p=0,96. Conclusion: The fetal sex assignment by ultrasonography between 11-13+6 weeks had high success rate. The sensitivity of fetal sex assignment was not affected with fetus position and gestational age.

  3. Comparative study of wheat utilization of NH4 and NO3 as sources of N-fertilizer using N15 technique

    International Nuclear Information System (INIS)

    Khalifa, Kh.

    1993-05-01

    Two field experiments were conducted separately on wheat (Cultivar ACSAD-65) in 1987/1988 at the Research Station of Arabic Center for the Studies of Arid Zones and Dry Lands (ACSAD) in Deir-Ezzor, Using N 15 methodology to compare the efficient utilization of N 15 -NO 3 and N 15 -N H 4 radicals as sources of nitrogen applied in three different levels (50, 100 and 200 Kg N/ha and two placement methods (Top-dressed and Side-dressed). The results indicate that Ndff % in the from of N 15 -NH 4 was higher than N 15 -NO 3 in both placements, at different growth stages, consequently, when using N-NH 4 form, N-uptake was higher than N-NO 3 form; the efficiency of N-NH 4 was higher than N-NO 3 in most cases regardless of the method of placement; the rate of applied nitrogen in both forms (N-NH 4 and N-NO 3 ) had higher effect on yield more than the placements; side-dressed placement had higher effect on the efficiency of the utilization of N-NO 3 and N-NH 4 as well as on crop yield than the Top-dressed; using N-NO 3 , A-values in the three growth stages of crop at the nitrogen levels used, were higher than using N-NH 4 in both placements; and finally using N-NO 3 in the second and third stages of crop growth, the yield was higher than using N-NH 4 and almost similar in the first stages. (author). 9 refs., 26 tabs

  4. Protein secondary structure assignment revisited: a detailed analysis of different assignment methods

    Directory of Open Access Journals (Sweden)

    de Brevern Alexandre G

    2005-09-01

    Full Text Available Abstract Background A number of methods are now available to perform automatic assignment of periodic secondary structures from atomic coordinates, based on different characteristics of the secondary structures. In general these methods exhibit a broad consensus as to the location of most helix and strand core segments in protein structures. However the termini of the segments are often ill-defined and it is difficult to decide unambiguously which residues at the edge of the segments have to be included. In addition, there is a "twilight zone" where secondary structure segments depart significantly from the idealized models of Pauling and Corey. For these segments, one has to decide whether the observed structural variations are merely distorsions or whether they constitute a break in the secondary structure. Methods To address these problems, we have developed a method for secondary structure assignment, called KAKSI. Assignments made by KAKSI are compared with assignments given by DSSP, STRIDE, XTLSSTR, PSEA and SECSTR, as well as secondary structures found in PDB files, on 4 datasets (X-ray structures with different resolution range, NMR structures. Results A detailed comparison of KAKSI assignments with those of STRIDE and PSEA reveals that KAKSI assigns slightly longer helices and strands than STRIDE in case of one-to-one correspondence between the segments. However, KAKSI tends also to favor the assignment of several short helices when STRIDE and PSEA assign longer, kinked, helices. Helices assigned by KAKSI have geometrical characteristics close to those described in the PDB. They are more linear than helices assigned by other methods. The same tendency to split long segments is observed for strands, although less systematically. We present a number of cases of secondary structure assignments that illustrate this behavior. Conclusion Our method provides valuable assignments which favor the regularity of secondary structure segments.

  5. Writing Assignments that Promote Active Learning

    Science.gov (United States)

    Narayanan, M.

    2014-12-01

    Encourage students to write a detailed, analytical report correlating classroom discussions to an important historical event or a current event. Motivate students interview an expert from industry on a topic that was discussed in class. Ask the students to submit a report with supporting sketches, drawings, circuit diagrams and graphs. Propose that the students generate a complete a set of reading responses pertaining to an assigned topic. Require each student to bring in one comment or one question about an assigned reading. The assignment should be a recent publication in an appropriate journal. Have the students conduct a web search on an assigned topic. Ask them to generate a set of ideas that can relate to classroom discussions. Provide the students with a study guide. The study guide should provide about 10 or 15 short topics. Quiz the students on one or two of the topics. Encourage the students to design or develop some creative real-world examples based on a chapter discussed or a topic of interest. Require that students originate, develop, support and defend a viewpoint using a specifically assigned material. Make the students practice using or utilizing a set of new technical terms they have encountered in an assigned chapter. Have students develop original examples explaining the different terms. Ask the students to select one important terminology from the previous classroom discussions. Encourage the students to explain why they selected that particular word. Ask them to talk about the importance of the terminology from the point of view of their educational objectives and future career. Angelo, T. A. (1991). Ten easy pieces: Assessing higher learning in four dimensions. In T. A. Angelo (Ed.), Classroom research: Early lessons from success (pp. 17-31). New Directions for Teaching and Learning, No. 46. San Francisco: Jossey-Bass.

  6. Grouping puts figure-ground assignment in context by constraining propagation of edge assignment.

    Science.gov (United States)

    Brooks, Joseph L; Brook, Joseph L; Driver, Jon

    2010-05-01

    Figure-ground organization involves the assignment of edges to a figural shape on one or the other side of each dividing edge. Established visual cues for edge assignment primarily concern relatively local rather than contextual factors. In the present article, we show that an assignment for a locally unbiased edge can be affected by an assignment of a remote contextual edge that has its own locally biased assignment. We find that such propagation of edge assignment from the biased remote context occurs only when the biased and unbiased edges are grouped. This new principle, whereby grouping constrains the propagation of figural edge assignment, emerges from both subjective reports and an objective short-term edge-matching task. It generalizes from moving displays involving grouping by common fate and collinearity, to static displays with grouping by similarity of edge-contrast polarity, or apparent occlusion. Our results identify a new contextual influence on edge assignment. They also identify a new mechanistic relation between grouping and figure-ground processes, whereby grouping between remote elements can constrain the propagation of edge assignment between those elements. Supplemental materials for this article may be downloaded from http://app.psychonomic-journals.org/content/supplemental.

  7. Nonlinear resonances

    CERN Document Server

    Rajasekar, Shanmuganathan

    2016-01-01

    This introductory text presents the basic aspects and most important features of various types of resonances and anti-resonances in dynamical systems. In particular, for each resonance, it covers the theoretical concepts, illustrates them with case studies, and reviews the available information on mechanisms, characterization, numerical simulations, experimental realizations, possible quantum analogues, applications and significant advances made over the years. Resonances are one of the most fundamental phenomena exhibited by nonlinear systems and refer to specific realizations of maximum response of a system due to the ability of that system to store and transfer energy received from an external forcing source. Resonances are of particular importance in physical, engineering and biological systems - they can prove to be advantageous in many applications, while leading to instability and even disasters in others. The book is self-contained, providing the details of mathematical derivations and techniques invo...

  8. Effortless assignment with 4D covariance sequential correlation maps.

    Science.gov (United States)

    Harden, Bradley J; Mishra, Subrata H; Frueh, Dominique P

    2015-11-01

    Traditional Nuclear Magnetic Resonance (NMR) assignment procedures for proteins rely on preliminary peak-picking to identify and label NMR signals. However, such an approach has severe limitations when signals are erroneously labeled or completely neglected. The consequences are especially grave for proteins with substantial peak overlap, and mistakes can often thwart entire projects. To overcome these limitations, we previously introduced an assignment technique that bypasses traditional pick peaking altogether. Covariance Sequential Correlation Maps (COSCOMs) transform the indirect connectivity information provided by multiple 3D backbone spectra into direct (H, N) to (H, N) correlations. Here, we present an updated method that utilizes a single four-dimensional spectrum rather than a suite of three-dimensional spectra. We demonstrate the advantages of 4D-COSCOMs relative to their 3D counterparts. We introduce improvements accelerating their calculation. We discuss practical considerations affecting their quality. And finally we showcase their utility in the context of a 52 kDa cyclization domain from a non-ribosomal peptide synthetase. Copyright © 2015 Elsevier Inc. All rights reserved.

  9. PASA - A Program for Automated Protein NMR Backbone Signal Assignment by Pattern-Filtering Approach

    International Nuclear Information System (INIS)

    Xu Yizhuang; Wang Xiaoxia; Yang Jun; Vaynberg, Julia; Qin Jun

    2006-01-01

    We present a new program, PASA (Program for Automated Sequential Assignment), for assigning protein backbone resonances based on multidimensional heteronuclear NMR data. Distinct from existing programs, PASA emphasizes a per-residue-based pattern-filtering approach during the initial stage of the automated 13 C α and/or 13 C β chemical shift matching. The pattern filter employs one or multiple constraints such as 13 C α /C β chemical shift ranges for different amino acid types and side-chain spin systems, which helps to rule out, in a stepwise fashion, improbable assignments as resulted from resonance degeneracy or missing signals. Such stepwise filtering approach substantially minimizes early false linkage problems that often propagate, amplify, and ultimately cause complication or combinatorial explosion of the automation process. Our program (http://www.lerner.ccf.org/moleccard/qin/) was tested on four representative small-large sized proteins with various degrees of resonance degeneracy and missing signals, and we show that PASA achieved the assignments efficiently and rapidly that are fully consistent with those obtained by laborious manual protocols. The results demonstrate that PASA may be a valuable tool for NMR-based structural analyses, genomics, and proteomics

  10. Semi-infinite assignment and transportation games

    NARCIS (Netherlands)

    Timmer, Judith B.; Sánchez-Soriano, Joaqu´ın; Llorca, Navidad; Tijs, Stef; Goberna, Miguel A.; López, Marco A.

    2001-01-01

    Games corresponding to semi-infinite transportation and related assignment situations are studied. In a semi-infinite transportation situation, one aims at maximizing the profit from the transportation of a certain good from a finite number of suppliers to an infinite number of demanders. An

  11. Capacity constrained assignment in spatial databases

    DEFF Research Database (Denmark)

    U, Leong Hou; Yiu, Man Lung; Mouratidis, Kyriakos

    2008-01-01

    large to fit in main memory. Motivated by this fact, we propose efficient algorithms for optimal assignment that employ novel edge-pruning strategies, based on the spatial properties of the problem. Additionally, we develop approximate (i.e., suboptimal) CCA solutions that provide a trade-off between...

  12. Statistical aspects of optimal treatment assignment

    NARCIS (Netherlands)

    van der Linden, Willem J.

    The issues of treatment assignment is ordinarily dealt with within the framework of testing aptitude treatment interaction (ATI) hypothesis. ATI research mostly uses linear regression techniques, and an ATI exists when the aptitude treatment (AT) regression lines cross each other within the relevant

  13. Tabu search for target-radar assignment

    DEFF Research Database (Denmark)

    Hindsberger, Magnus; Vidal, Rene Victor Valqui

    2000-01-01

    In the paper the problem of assigning air-defense illumination radars to enemy targets is presented. A tabu search metaheuristic solution is described and the results achieved are compared to those of other heuristic approaches, implementation and experimental aspects are discussed. It is argued ...

  14. Strategy-Proof Assignment Of Multiple Resources

    DEFF Research Database (Denmark)

    Erlanson, Albin; Szwagrzak, Karol

    2015-01-01

    We examine the strategy-proof allocation of multiple resources; an application is the assignment of packages of tasks, workloads, and compensations among the members of an organization. In the domain of multidimensional single-peaked preferences, we find that any allocation mechanism obtained by ...

  15. Optimal Processor Assignment for Pipeline Computations

    Science.gov (United States)

    1991-10-01

    the use of ratios: initially each task is assigned a procesbuor2 the remaining proceborb are distributed in proportion to the quantities f,(1), 1 < i...algorithmns. IEEE Trans. onl Parallel and Distributed Systemns, 1 (4):470-499, October 1990. [26] P. Al. Kogge. The Architeture of Pipelined Comnputers

  16. Incentivized optimal advert assignment via utility decomposition

    NARCIS (Netherlands)

    Kelly, F.; Key, P.; Walton, N.

    2014-01-01

    We consider a large-scale Ad-auction where adverts are assigned over a potentially infinite number of searches. We capture the intrinsic asymmetries in information between advertisers, the advert platform and the space of searches: advertisers know and can optimize the average performance of their

  17. A game theoretic approach to assignment problems

    NARCIS (Netherlands)

    Klijn, F.

    2000-01-01

    Game theory deals with the mathematical modeling and analysis of conflict and cooperation in the interaction of multiple decision makers. This thesis adopts two game theoretic methods to analyze a range of assignment problems that arise in various economic situations. The first method has as

  18. Generalised Assignment Matrix Methodology in Linear Programming

    Science.gov (United States)

    Jerome, Lawrence

    2012-01-01

    Discrete Mathematics instructors and students have long been struggling with various labelling and scanning algorithms for solving many important problems. This paper shows how to solve a wide variety of Discrete Mathematics and OR problems using assignment matrices and linear programming, specifically using Excel Solvers although the same…

  19. 7 CFR 1437.104 - Assigned production.

    Science.gov (United States)

    2010-01-01

    ...) Irrigation equipment is not capable of supplying adequate water to sustain the expected production of a... practice is not used. (7) For normal irrigated annual and biennial crops, the supply of available water at... determining losses under this section, assigned production will be used to offset the loss of production when...

  20. Accounting for Sustainability: An Active Learning Assignment

    Science.gov (United States)

    Gusc, Joanna; van Veen-Dirks, Paula

    2017-01-01

    Purpose: Sustainability is one of the newer topics in the accounting courses taught in university teaching programs. The active learning assignment as described in this paper was developed for use in an accounting course in an undergraduate program. The aim was to enhance teaching about sustainability within such a course. The purpose of this…

  1. A modified strategy for sequence specific assignment of protein NMR spectra based on amino acid type selective experiments

    International Nuclear Information System (INIS)

    Schubert, Mario; Labudde, Dirk; Leitner, Dietmar; Oschkinat, Hartmut; Schmieder, Peter

    2005-01-01

    The determination of the three-dimensional structure of a protein or the study of protein-ligand interactions requires the assignment of all relevant nuclei as an initial step. This is nowadays almost exclusively performed using triple-resonance experiments. The conventional strategy utilizes one or more pairs of three dimensional spectra to obtain redundant information and thus reliable assignments. Here, a modified strategy for obtaining sequence specific assignments based on two dimensional amino acid type selective triple-resonance experiments is proposed. These experiments can be recorded with good resolution in a relatively short time. They provide very specific and redundant information, in particular on sequential connectivities, that drastically increases the ease and reliability of the assignment procedure, done either manually or in an automated fashion. The new strategy is demonstrated with the protein domain PB1 from yeast CDC24p

  2. Effect of temperature on the mechanical characteristics of cold-worked steel OKh16N15M3B with active tension and creep

    International Nuclear Information System (INIS)

    Erasov, V.S.; Konoplenko, V.P.; Pirogov, E.N.

    1986-01-01

    Steel OKh16N15M3B is used extensively for the manufacture of atomic reactor fuel-element shells. The aim of this work is a study of the mechanical characteristics of this steel cold-worked by 20% with active tension and creep in the temperature range 973-1323 0 K, which is necessary for predicting the behavior of fuel-element shells in critical situations. It is found that above 973 0 K there is active loss of strength for cold-worked steel OKh16N15M3B. Strength characteristics in the region 973-1323 0 K decrease by more than a factor of six. Thermal activation analysis of the plastic deformation process, showing a sharp increase in activation energy above 1073 0 K, suggests a change in the mechanisms of plastic deformation taking place. For active tension and creep the same temperature range is obtained for a marked change in activation energy

  3. Careerism, Committee Assignments and the Electoral Connection

    OpenAIRE

    Katz, Jonathan N.; Sala, Brian R.

    1996-01-01

    Most scholars agree that members of Congress are strongly motivated by their desire for reelection. This assumption implies that members of Congress adopt institutions, rules, and norms of behavior in part to serve their electoral interests. Direct tests of the electoral connection are rare, however, because significant, exogenous changes in the electoral environment are difficult to identify. We develop and test an electoral rationale for the norm of committee assignment "property rights...

  4. An Ultimatum Game Approach to Billet Assignments

    Science.gov (United States)

    2015-09-01

    time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed , and completing and reviewing this...treatments are needed for this investigation. To conserve the subject pool and meet the budget, we elected to pursue treatments that covered salient...across billets can be partially offset through compensating wages ( hedonic wages) and/or the potential of future superior assignments. In the

  5. Protein secondary structure: category assignment and predictability

    DEFF Research Database (Denmark)

    Andersen, Claus A.; Bohr, Henrik; Brunak, Søren

    2001-01-01

    In the last decade, the prediction of protein secondary structure has been optimized using essentially one and the same assignment scheme known as DSSP. We present here a different scheme, which is more predictable. This scheme predicts directly the hydrogen bonds, which stabilize the secondary......-forward neural network with one hidden layer on a data set identical to the one used in earlier work....

  6. Cognitive Function and 3-Tesla Magnetic Resonance Imaging Tractography of White Matter Hyperintensities in Elderly Persons

    Directory of Open Access Journals (Sweden)

    William Reginold

    2015-10-01

    Full Text Available Background/Aims: This study used 3-Tesla magnetic resonance imaging (MRI tractography to determine if there was an association between tracts crossing white matter hyperintensities (WMH and cognitive function in elderly persons. Methods: Brain T2-weighted fluid-attenuated inversion recovery (FLAIR and diffusion tensor MRI scans were acquired in participants above the age of 60 years. Twenty-six persons had WMH identified on T2 FLAIR scans. They completed a battery of neuropsychological tests and were classified as normal controls (n = 15 or with Alzheimer's dementia (n = 11. Tractography was generated by the Fiber Assignment by Continuous Tracking method. All tracts that crossed WMH were segmented. The average fractional anisotropy and average mean diffusivity of these tracts were quantified. We studied the association between cognitive test scores with the average mean diffusivity and average fractional anisotropy of tracts while controlling for age, total WMH volume and diagnosis. Results: An increased mean diffusivity of tracts crossing WMH was associated with worse performance on the Wechsler Memory Scale-III Longest Span Forward (p = 0.02. There was no association between the fractional anisotropy of tracts and performance on cognitive testing. Conclusion: The mean diffusivity of tracts crossing WMH measured by tractography is a novel correlate of performance on the Wechsler Memory Scale-III Longest Span Forward in elderly persons.

  7. Cognitive Function and 3-Tesla Magnetic Resonance Imaging Tractography of White Matter Hyperintensities in Elderly Persons.

    Science.gov (United States)

    Reginold, William; Luedke, Angela C; Tam, Angela; Itorralba, Justine; Fernandez-Ruiz, Juan; Reginold, Jennifer; Islam, Omar; Garcia, Angeles

    2015-01-01

    This study used 3-Tesla magnetic resonance imaging (MRI) tractography to determine if there was an association between tracts crossing white matter hyperintensities (WMH) and cognitive function in elderly persons. Brain T2-weighted fluid-attenuated inversion recovery (FLAIR) and diffusion tensor MRI scans were acquired in participants above the age of 60 years. Twenty-six persons had WMH identified on T2 FLAIR scans. They completed a battery of neuropsychological tests and were classified as normal controls (n = 15) or with Alzheimer's dementia (n = 11). Tractography was generated by the Fiber Assignment by Continuous Tracking method. All tracts that crossed WMH were segmented. The average fractional anisotropy and average mean diffusivity of these tracts were quantified. We studied the association between cognitive test scores with the average mean diffusivity and average fractional anisotropy of tracts while controlling for age, total WMH volume and diagnosis. An increased mean diffusivity of tracts crossing WMH was associated with worse performance on the Wechsler Memory Scale-III Longest Span Forward (p = 0.02). There was no association between the fractional anisotropy of tracts and performance on cognitive testing. The mean diffusivity of tracts crossing WMH measured by tractography is a novel correlate of performance on the Wechsler Memory Scale-III Longest Span Forward in elderly persons.

  8. Assignment and Correspondence Tracking System - Tactical / Operational Reporting

    Data.gov (United States)

    Social Security Administration — Reporting data store for the Assignment and Correspondence Tracking System (ACT). ACT automates the assignment and tracking of correspondence processing within the...

  9. Can magnetic resonance imaging differentiate undifferentiated arthritis?

    DEFF Research Database (Denmark)

    Østergaard, Mikkel; Duer, Anne; Hørslev-Petersen, K

    2005-01-01

    A high sensitivity for the detection of inflammatory and destructive changes in inflammatory joint diseases makes magnetic resonance imaging potentially useful for assigning specific diagnoses, such as rheumatoid arthritis and psoriatic arthritis in arthritides, that remain undifferentiated after...... conventional clinical, biochemical and radiographic examinations. With recent data as the starting point, the present paper describes the current knowledge on magnetic resonance imaging in the differential diagnosis of undifferentiated arthritis....

  10. Backbone assignment and secondary structure of the PsbQ protein from Photosystem II

    Czech Academy of Sciences Publication Activity Database

    Horničáková, M.; Kohoutová, Jaroslava; Schlagnitweit, J.; Wohlschlager, Ch.; Ettrich, Rüdiger; Fiala, R.; Schoefberger, W.; Müller, N.

    2011-01-01

    Roč. 5, č. 2 (2011), s. 169-175 ISSN 1874-2718 R&D Projects: GA MŠk(CZ) LC06010 Institutional research plan: CEZ:AV0Z60870520 Keywords : Photosystem II * PsbQ * Missing link * NMR resonance assignment * Protein-protein interaction Subject RIV: BO - Biophysics Impact factor: 0.720, year: 2011 http://www.springerlink.com/content/3n38075w5h1l1082/fulltext.pdf

  11. Sequential assignment of proline-rich regions in proteins: Application to modular binding domain complexes

    International Nuclear Information System (INIS)

    Kanelis, Voula; Donaldson, Logan; Muhandiram, D.R.; Rotin, Daniela; Forman-Kay, Julie D.; Kay, Lewis E.

    2000-01-01

    Many protein-protein interactions involve amino acid sequences containing proline-rich motifs and even poly-proline stretches. The lack of amide protons in such regions complicates assignment, since 1 HN-based triple-resonance assignment strategies cannot be employed. Two such systems that we are currently studying include an SH2 domain from the protein Crk with a region containing 9 prolines in a 14 amino acid sequence, as well as a WW domain that interacts with a proline-rich target. A modified version of the HACAN pulse scheme, originally described by Bax and co-workers [Wang et al. (1995) J. Biomol. NMR, 5, 376-382], and an experiment which correlates the intra-residue 1 H α , 13 C α / 13 C β chemical shifts with the 15 N shift of the subsequent residue are presented and applied to the two systems listed above, allowing sequential assignment of the molecules

  12. Multiquark Resonances

    CERN Document Server

    Esposito, A.; Polosa, A.D.

    2016-01-01

    Multiquark resonances are undoubtedly experimentally observed. The number of states and the amount of details on their properties has been growing over the years. It is very recent the discovery of two pentaquarks and the confirmation of four tetraquarks, two of which had not been observed before. We mainly review the theoretical understanding of this sector of particle physics phenomenology and present some considerations attempting a coherent description of the so called X and Z resonances. The prominent problems plaguing theoretical models, like the absence of selection rules limiting the number of states predicted, motivate new directions in model building. Data are reviewed going through all of the observed resonances with particular attention to their common features and the purpose of providing a starting point to further research.

  13. Neuroaesthetic Resonance

    DEFF Research Database (Denmark)

    Brooks, Anthony Lewis

    2013-01-01

    Neuroaesthetic Resonance emerged from a mature body of patient- centered gesture-control research investigating non-formal rehabilitation via ICT-enhanced-Art to question ‘Aesthetic Resonance’. Motivating participation, ludic engagement, and augmenting physical motion in non-formal (fun) treatment...... sessions are achieved via adaptive action-analyzed activities. These interactive virtual environments are designed to empower patients’ creative and/or playful expressions via digital feedback stimuli. Unconscious self- pushing of limits result from innate distractive mechanisms offered by the alternative...... the unencumbered motion-to-computer-generated activities - ‘Music Making’, ‘Painting’, ‘Robotic’ and ‘Video Game’ control. A focus of this position paper is to highlight how Aesthetic Resonance, in this context, relates to the growing body of research on Neuroaesthetics to evolve Neuroaesthetic Resonance....

  14. Automated Pre-processing for NMR Assignments with Reduced Tedium

    Energy Technology Data Exchange (ETDEWEB)

    2004-05-11

    An important rate-limiting step in the reasonance asignment process is accurate identification of resonance peaks in MNR spectra. NMR spectra are noisy. Hence, automatic peak-picking programs must navigate between the Scylla of reliable but incomplete picking, and the Charybdis of noisy but complete picking. Each of these extremes complicates the assignment process: incomplete peak-picking results in the loss of essential connectivities, while noisy picking conceals the true connectivities under a combinatiorial explosion of false positives. Intermediate processing can simplify the assignment process by preferentially removing false peaks from noisy peak lists. This is accomplished by requiring consensus between multiple NMR experiments, exploiting a priori information about NMR spectra, and drawing on empirical statistical distributions of chemical shift extracted from the BioMagResBank. Experienced NMR practitioners currently apply many of these techniques "by hand", which is tedious, and may appear arbitrary to the novice. To increase efficiency, we have created a systematic and automated approach to this process, known as APART. Automated pre-processing has three main advantages: reduced tedium, standardization, and pedagogy. In the hands of experienced spectroscopists, the main advantage is reduced tedium (a rapid increase in the ratio of true peaks to false peaks with minimal effort). When a project is passed from hand to hand, the main advantage is standardization. APART automatically documents the peak filtering process by archiving its original recommendations, the accompanying justifications, and whether a user accepted or overrode a given filtering recommendation. In the hands of a novice, this tool can reduce the stumbling block of learning to differentiate between real peaks and noise, by providing real-time examples of how such decisions are made.

  15. Baryon Resonances

    International Nuclear Information System (INIS)

    Oset, E.; Sarkar, S.; Sun Baoxi; Vicente Vacas, M.J.; Ramos, A.; Gonzalez, P.; Vijande, J.; Martinez Torres, A.; Khemchandani, K.

    2010-01-01

    In this talk I show recent results on how many excited baryon resonances appear as systems of one meson and one baryon, or two mesons and one baryon, with the mesons being either pseudoscalar or vectors. Connection with experiment is made including a discussion on old predictions and recent results for the photoproduction of the Λ(1405) resonance, as well as the prediction of one 1/2 + baryon state around 1920 MeV which might have been seen in the γp→K + Λ reaction.

  16. Symmetric Logic Synthesis with Phase Assignment

    OpenAIRE

    Benschop, N. F.

    2001-01-01

    Decomposition of any Boolean Function BF_n of n binary inputs into an optimal inverter coupled network of Symmetric Boolean functions SF_k (k \\leq n) is described. Each SF component is implemented by Threshold Logic Cells, forming a complete and compact T-Cell Library. Optimal phase assignment of input polarities maximizes local symmetries. The "rank spectrum" is a new BF_n description independent of input ordering, obtained by mapping its minterms onto an othogonal n \\times n grid of (transi...

  17. Probabilistic Identification of Spin Systems and their Assignments including Coil-Helix Inference as Output (PISTACHIO)

    International Nuclear Information System (INIS)

    Eghbalnia, Hamid R.; Bahrami, Arash; Wang, Liya; Assadi, Amir; Markley, John L.

    2005-01-01

    We present a novel automated strategy (PISTACHIO) for the probabilistic assignment of backbone and sidechain chemical shifts in proteins. The algorithm uses peak lists derived from various NMR experiments as input and provides as output ranked lists of assignments for all signals recognized in the input data as constituting spin systems. PISTACHIO was evaluated by comparing its performance with raw peak-picked data from 15 proteins ranging from 54 to 300 residues; the results were compared with those achieved by experts analyzing the same datasets by hand. As scored against the best available independent assignments for these proteins, the first-ranked PISTACHIO assignments were 80-100% correct for backbone signals and 75-95% correct for sidechain signals. The independent assignments benefited, in a number of cases, from structural data (e.g. from NOESY spectra) that were unavailable to PISTACHIO. Any number of datasets in any combination can serve as input. Thus PISTACHIO can be used as datasets are collected to ascertain the current extent of secure assignments, to identify residues with low assignment probability, and to suggest the types of additional data needed to remove ambiguities. The current implementation of PISTACHIO, which is available from a server on the Internet, supports input data from 15 standard double- and triple-resonance experiments. The software can readily accommodate additional types of experiments, including data from selectively labeled samples. The assignment probabilities can be carried forward and refined in subsequent steps leading to a structure. The performance of PISTACHIO showed no direct dependence on protein size, but correlated instead with data quality (completeness and signal-to-noise). PISTACHIO represents one component of a comprehensive probabilistic approach we are developing for the collection and analysis of protein NMR data

  18. Probabilistic Identification of Spin Systems and their Assignments including Coil-Helix Inference as Output (PISTACHIO)

    Energy Technology Data Exchange (ETDEWEB)

    Eghbalnia, Hamid R., E-mail: eghbalni@nmrfam.wisc.edu; Bahrami, Arash; Wang, Liya [National Magnetic Resonance Facility at Madison, Biochemistry Department (United States); Assadi, Amir [University of Wisconsin-Madison, Mathematics Department (United States); Markley, John L [National Magnetic Resonance Facility at Madison, Biochemistry Department (United States)

    2005-07-15

    We present a novel automated strategy (PISTACHIO) for the probabilistic assignment of backbone and sidechain chemical shifts in proteins. The algorithm uses peak lists derived from various NMR experiments as input and provides as output ranked lists of assignments for all signals recognized in the input data as constituting spin systems. PISTACHIO was evaluated by comparing its performance with raw peak-picked data from 15 proteins ranging from 54 to 300 residues; the results were compared with those achieved by experts analyzing the same datasets by hand. As scored against the best available independent assignments for these proteins, the first-ranked PISTACHIO assignments were 80-100% correct for backbone signals and 75-95% correct for sidechain signals. The independent assignments benefited, in a number of cases, from structural data (e.g. from NOESY spectra) that were unavailable to PISTACHIO. Any number of datasets in any combination can serve as input. Thus PISTACHIO can be used as datasets are collected to ascertain the current extent of secure assignments, to identify residues with low assignment probability, and to suggest the types of additional data needed to remove ambiguities. The current implementation of PISTACHIO, which is available from a server on the Internet, supports input data from 15 standard double- and triple-resonance experiments. The software can readily accommodate additional types of experiments, including data from selectively labeled samples. The assignment probabilities can be carried forward and refined in subsequent steps leading to a structure. The performance of PISTACHIO showed no direct dependence on protein size, but correlated instead with data quality (completeness and signal-to-noise). PISTACHIO represents one component of a comprehensive probabilistic approach we are developing for the collection and analysis of protein NMR data.

  19. 48 CFR 42.602 - Assignment and location.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Assignment and location... Assignment and location. (a) A CACO may be assigned only when (1) the contractor has at least two locations..., or a full-time CACO may be assigned. In determining the location of the CACO, the responsible agency...

  20. Testing the Effectiveness of Online Assignments in Theory of Finance

    Science.gov (United States)

    Batu, Michael; Bower, Nancy; Lun, Esmond; Sadanand, Asha

    2018-01-01

    The authors investigated the effectiveness of online versus paper assignments using final examination scores in three cohorts of theory of finance. In particular, two cohorts were exposed to online assignments while another cohort was exposed to traditional assignments. The central result is that exposure to online assignments robustly leads to…

  1. Efficient Stereospecific Hβ2/3 NMR Assignment Strategy for Mid-Size Proteins

    Directory of Open Access Journals (Sweden)

    Alexandra Born

    2018-06-01

    Full Text Available We present a strategy for stereospecific NMR assignment of Hβ2 and Hβ3 protons in mid-size proteins (~150 residues. For such proteins, resonance overlap in standard experiments is severe, thereby preventing unambiguous assignment of a large fraction of β-methylenes. To alleviate this limitation, assignment experiments may be run in high static fields, where higher decoupling power is required. Three-bond Hα–Hβ J-couplings (3JHα–Hβ are critical for stereospecific assignments of β-methylene protons, and for determining rotameric χ1 states. Therefore, we modified a pulse sequence designed to measure accurate 3JHα–Hβ couplings such that probe heating was reduced, while the decoupling performance was improved. To further increase the resolution, we applied non-uniform sampling (NUS schemes in the indirect 1H and 13C dimensions. The approach was applied to two medium-sized proteins, odorant binding protein 22 (OBP22; 14.4 kDa and Pin1 (18.2 kDa, at 900 MHz polarizing fields. The coupling values obtained from NUS and linear sampling were extremely well correlated. However, NUS decreased the overlap of Hβ2/3 protons, thus supplying a higher yield of extracted 3JHα-Hβ coupling values when compared with linear sampling. A similar effect could be achieved with linear prediction applied to the linearly sampled data prior to the Fourier transformation. Finally, we used 3JHα–Hβ couplings from Pin1 in combination with either conventional or exact nuclear Overhauser enhancement (eNOE restraints to determine the stereospecific assignments of β-methylene protons. The use of eNOEs further increased the fraction of unambiguously assigned resonances when compared with procedures using conventional NOEs.

  2. ORTHO-TO-PARA ABUNDANCE RATIO (OPR) OF AMMONIA IN 15 COMETS: OPRs OF AMMONIA VERSUS 14N/15N RATIOS IN CN

    International Nuclear Information System (INIS)

    Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi; Jehin, Emmanuel; Manfroid, Jean; Hutsemekers, Damien; Arpigny, Claude

    2011-01-01

    The ortho-to-para abundance ratio (OPR) of cometary molecules is considered to be one of the primordial characteristics of cometary ices. We present OPRs of ammonia (NH 3 ) in 15 comets based on optical high-dispersion spectroscopic observations of NH 2 , which is a photodissociation product of ammonia in the gaseous coma. The observations were mainly carried out with the VLT/UVES. The OPR of ammonia is estimated from the OPR of NH 2 based on the observations of the NH 2 (0, 9, 0) vibronic band. The absorption lines by the telluric atmosphere are corrected and the cometary C 2 emission lines blended with NH 2 lines are removed in our analysis. The ammonia OPRs show a cluster between 1.1 and 1.2 (this corresponds to a nuclear spin temperature of ∼30 K) for all comets in our sample except for 73P/Schwassmann-Wachmann 3 (73P/SW3). Comet 73P/SW3 (both B- and C-fragments) shows the OPR of ammonia consistent with nuclear spin statistical weight ratio (1.0) that indicates a high-temperature limit as nuclear spin temperature. We compared the ammonia OPRs with other properties ( 14 N/ 15 N ratios in CN, D/H ratios of water, and mixing ratios of volatiles). Comet 73P/SW3 is clearly different from the other comets in the plot of ammonia OPRs versus 14 N/ 15 N ratios in CN. The ammonia OPRs of 1.0 and lower 15 N-fractionation of CN in comet 73P/SW3 imply that icy materials in this comet formed under warmer conditions than other comets. Comets may be classified into two groups in the plot of ammonia OPRs against 14 N/ 15 N ratios in CN.

  3. N-2-fixation ability of three main soybean cultivars in symbiosis with bradyrhizobium japonicum using N-15 isotope dilution method in Iran

    International Nuclear Information System (INIS)

    Piervali-Bieranvand, N.; Saleh-Rastin, N.; Mousavi-Shalmani, M. A.

    2006-01-01

    The present pot study was carried out for comparison of N 2 fixation ability for three main soybean cultivars in Iran i.,e. Sahar, Williams and Clark 63. The experiment was conducted under the proper growth chamber condition, with a randomized complete block design on a soil with no indigenous rhizobia and low nitrogen content. Each treatment was replicated four times. Each pot contained 3.5-kg air dried homogenized soil, and at the time of planting each seedling was inoculated with 1 ml of inoculum containing approximately 9 x 10 8 cells per ml. For quantifying the fixed nitrogen, using A- value (N-15) method, two solutions of N-15 enriched ammonium sulfate containing 9.616 and 2.086% N-15 atom excess were applied in amount of 6.67 and 33.33 mg/kg N at the stage V2 for the fixing, and for the stages V2, R2 and R5 as reference pots. During 4 months of growth, the plants were irrigated with distilled water to maintain the soil moisture approximately 0.8 of the field capacity. The plants were harvested at the plant developmental stage reproductive 6 (R6) and a number of growth parameters were measured. According to the results, Sahar cultivar which is more lateness, showed a higher results in the most measured characteristics, including nitrogen derived from air, shoot dry matter, nodule dry matter and the whole dry matter of plant, significantly. All the three cultivars could supply more than 90 % of nitrogen demand through symbiosis. The cultivars were different significantly in amount of nitrogen derived from air, despite of the percent of nitrogen derived from air

  4. 996 RESONANCE November 2013

    Indian Academy of Sciences (India)

    IAS Admin

    996. RESONANCE. November 2013. Page 2. 997. RESONANCE. November 2013. Page 3. 998. RESONANCE. November 2013. Page 4. 999. RESONANCE. November 2013. Page 5. 1000. RESONANCE. November 2013. Page 6. 1001. RESONANCE. November 2013. Page 7. 1002. RESONANCE. November 2013 ...

  5. 817 RESONANCE September 2013

    Indian Academy of Sciences (India)

    IAS Admin

    817. RESONANCE ⎜ September 2013. Page 2. 818. RESONANCE ⎜ September 2013. Page 3. 819. RESONANCE ⎜ September 2013. Page 4. 820. RESONANCE ⎜ September 2013. Page 5. 821. RESONANCE ⎜ September 2013. Page 6. 822. RESONANCE ⎜ September 2013. Page 7. 823. RESONANCE ⎜ September ...

  6. 369 RESONANCE April 2016

    Indian Academy of Sciences (India)

    IAS Admin

    369. RESONANCE ⎜ April 2016. Page 2. 370. RESONANCE ⎜ April 2016. Page 3. 371. RESONANCE ⎜ April 2016. Page 4. 372. RESONANCE ⎜ April 2016. Page 5. 373. RESONANCE ⎜ April 2016. Page 6. 374. RESONANCE ⎜ April 2016. Page 7. 375. RESONANCE ⎜ April 2016.

  7. Spin-State-Dependent Ion-Molecule Chemistry as the Origin of N-15 and D Isotopic Anomalies in Primitive Matter.

    Science.gov (United States)

    Wirstrom, E. S.; Charnley, S. B.; Cordiner, M. A.; Milam, S. N.

    2012-01-01

    Many meteoritic and interplanetary dust particle (IDP) samples contain bulk enhancements and hotspots rich in N-15. Similarly low C(14)N/C(15)N ratios have been observed in numerous comets, An almost constant enrichment factor in comets from disti'nct formation zones in the nebular disk (i.e. both Jupiter Family and Oort Cloud comets), strongly suggests that this fractionation is primordial and was set in the protsolar cloud core. Deuterium enrichment is observed in both meteorites and IDPs

  8. Assigned value improves memory of proper names.

    Science.gov (United States)

    Festini, Sara B; Hartley, Alan A; Tauber, Sarah K; Rhodes, Matthew G

    2013-01-01

    Names are more difficult to remember than other personal information such as occupations. The current research examined the influence of assigned point value on memory and metamemory judgements for names and occupations to determine whether incentive can improve recall of proper names. In Experiment 1 participants studied face-name and face-occupation pairs assigned 1 or 10 points, made judgements of learning, and were given a cued recall test. High-value names were recalled more often than low-value names. However, recall of occupations was not influenced by value. In Experiment 2 meaningless nonwords were used for both names and occupations. The name difficulty disappeared, and value influenced recall of both names and occupations. Thus value similarly influenced names and occupations when meaningfulness was held constant. In Experiment 3 participants were required to use overt rote rehearsal for all items. Value did not boost recall of high-value names, suggesting that differential processing could not be implemented to improve memory. Thus incentives may improve memory for proper names by motivating people to engage in selective rehearsal and effortful elaborative processing.

  9. Synchrobetatron resonances

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    At the 1975 Particle Accelerator Conference it was reported that a class of resonances were observed in SPEAR II that had not appeared before in SPEAR I. These resonances occur when the betatron oscillation wave numbers ν/sub x/ or ν/sub y/ and the synchrotron wave number ν/sub s/ satisfy the relation (ν/sub x,y/ - mν/sub s/) = 5, with m an integer denoting the m/sup th/ satellite. The main difference between SPEAR II and SPEAR I is the value of ν/sub s/, which in SPEAR II is approximately 0.04, an order of magnitude larger than in SPEAR I. An ad hoc meeting was held at the 1975 Particle Accelerator Conference, where details of the SPEAR II results were presented and various possible mechanisms for producing these resonances were discussed. Later, experiments were performed at SPEAR to identify the mechanism believed to be the most likely explanation. Some of the current experimental knowledge and theoretical views on the source of these resonances are presented

  10. Autostereogram resonators

    Science.gov (United States)

    Leavey, Sean; Rae, Katherine; Murray, Adam; Courtial, Johannes

    2012-09-01

    Autostereograms, or "Magic Eye" pictures, are repeating patterns designed to give the illusion of depth. Here we discuss optical resonators that create light patterns which, when viewed from a suitable position by a monocular observer, are autostereograms of the three-dimensional shape of one of the mirror surfaces.

  11. METHOD FOR SOLVING FUZZY ASSIGNMENT PROBLEM USING MAGNITUDE RANKING TECHNIQUE

    OpenAIRE

    D. Selvi; R. Queen Mary; G. Velammal

    2017-01-01

    Assignment problems have various applications in the real world because of their wide applicability in industry, commerce, management science, etc. Traditional classical assignment problems cannot be successfully used for real life problem, hence the use of fuzzy assignment problems is more appropriate. In this paper, the fuzzy assignment problem is formulated to crisp assignment problem using Magnitude Ranking technique and Hungarian method has been applied to find an optimal solution. The N...

  12. Facilitated assignment of large protein NMR signals with covariance sequential spectra using spectral derivatives.

    Science.gov (United States)

    Harden, Bradley J; Nichols, Scott R; Frueh, Dominique P

    2014-09-24

    Nuclear magnetic resonance (NMR) studies of larger proteins are hampered by difficulties in assigning NMR resonances. Human intervention is typically required to identify NMR signals in 3D spectra, and subsequent procedures depend on the accuracy of this so-called peak picking. We present a method that provides sequential connectivities through correlation maps constructed with covariance NMR, bypassing the need for preliminary peak picking. We introduce two novel techniques to minimize false correlations and merge the information from all original 3D spectra. First, we take spectral derivatives prior to performing covariance to emphasize coincident peak maxima. Second, we multiply covariance maps calculated with different 3D spectra to destroy erroneous sequential correlations. The maps are easy to use and can readily be generated from conventional triple-resonance experiments. Advantages of the method are demonstrated on a 37 kDa nonribosomal peptide synthetase domain subject to spectral overlap.

  13. Using the N-15 method to determine N-soil, N-green manure, and N-urea availability after six seasons in an alley cropping system

    International Nuclear Information System (INIS)

    Elsje L Sisworo; Haryanto and Ania Citraresmini

    2006-01-01

    Nitrogen (N) is the most important nutrient for crop growth and production. This study was conducted to determine whether in each of six seasons and after these seasons the N-soil, N-green manure, N-green manure + urea, and N-urea is still available for crops. Upland rice and corn were planted successively for six seasons. In each season upland rice and corn were planted and applied with N-fertilizers at rate of: control (0N), N1 (100% green manure), N2 (50% green manure + 50% urea), N3 (100% urea). N-15 labelled urea was added at each season to determine the A-value of the crops. In each seasons it was shown that crops used N-soil as well as N-fertilizer. With the increase of the availability of N-fertilizers the use of N-soil decrease and so could preserve N-soil. With preservation of N-soil it could be assumed that soil quality has increased. The N-15 method could be used to determine the availability at each fertilizer rate’s in each season and at the end of the sixth season. (author)

  14. N fixation and transfer in Maize/Cowpea and Sorghum/Cowpea inter cropping systems as determined by N-15 isotope dilution technique

    International Nuclear Information System (INIS)

    Dayatilake, G.A.; Subasinghe, S.; Senaratne, R.

    2000-01-01

    N fixation and transfer in maize/cowpea and sorghum/cowpea intercropping systems, as determined by N-15 dilution technique was studied in two field trials conducted at Bata-atha, in the dry zone of Sri Lanka. Two cvs. of cowpea i.e; Bombay and MI-35 were used in maize/cowpea intercropping system, with following combinations of treatments; maize/Bombay, maize/MI-35, Bombay (monocrop), MI-35 (monocrop) and maize (monocrop). A similar set of treatments was used in sorghum/cowpea intercropping system also. The N-15 atom excess, percentage Ndfa, total amount of N fixed, N yield and the total dry matter production were estimated. Maize/cowpea intercropping resulted in an increase in total dry matter production and total N yield compared to monocrop treatment. However the percentage Ndfa and total N fixed showed a decrease compared to monocrop stand. The percentage Ndfa was 60-65 percent monocrop while the same was 45-50 percent in intercropped treatments

  15. Structural Encoding of Static Single Assignment Form

    DEFF Research Database (Denmark)

    Gal, Andreas; Probst, Christian; Franz, Michael

    2005-01-01

    Static Single Assignment (SSA) form is often used as an intermediate representation during code optimization in Java Virtual Machines. Recently, SSA has successfully been used for bytecode verification. However, constructing SSA at the code consumer is costly. SSAbased mobile code transport formats...... Java bytecode. While the resulting bytecode sequence can still be directly executed by traditional Virtual Machines, our novel VM can infer SSA form and confirm its safety with virtually no overhead....... have been shown to eliminate this cost by shifting SSA creation to the code producer. These new formats, however, are not backward compatible with the established Java class-file format. We propose a novel approach to transport SSA information implicitly through structural code properties of standard...

  16. Rationalization of some genetic anticodonic assignments

    Science.gov (United States)

    Lacey, J. C., Jr.; Hall, L. M.; Mullins, D. W., Jr.

    1985-01-01

    The hydrophobicity of most amino acids correlates well with that of their anticodon nucleotides, with Trp, Tyr, Ile, and Ser being the exceptions to this rule. Using previous data on hydrophobicity and binding constants, and new data on rates of esterification of polyadenylic acid with several N-acetylaminoacyl imidazolides, several of the anticodon assignments are rationalized. Chemical reasons are shown supporting the idea of the inclusion of the Ile in the catalog of biological amino acids late in the evolution, through a mutation of the existing tRNA and its aminoacyl-tRNA-synthetase. It was found that an addition of hexane increases the incorporation of hydrophobic Ac-Phe into poly-A, in support of the Fox (1965) and Oparin (1965) emphasis on the biogenetic importance of phase-separated systems.

  17. Assignment of uncertainties to scientific data

    International Nuclear Information System (INIS)

    Froehner, F.H.

    1994-01-01

    Long-standing problems of uncertainty assignment to scientific data came into a sharp focus in recent years when uncertainty information ('covariance files') had to be added to application-oriented large libraries of evaluated nuclear data such as ENDF and JEF. Question arouse about the best way to express uncertainties, the meaning of statistical and systematic errors, the origin of correlation and construction of covariance matrices, the combination of uncertain data from different sources, the general usefulness of results that are strictly valid only for Gaussian or only for linear statistical models, etc. Conventional statistical theory is often unable to give unambiguous answers, and tends to fail when statistics is bad so that prior information becomes crucial. Modern probability theory, on the other hand, incorporating decision information becomes group-theoretic results, is shown to provide straight and unique answers to such questions, and to deal easily with prior information and small samples. (author). 10 refs

  18. Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH

    International Nuclear Information System (INIS)

    Volk, Jochen; Herrmann, Torsten; Wuethrich, Kurt

    2008-01-01

    MATCH (Memetic Algorithm and Combinatorial Optimization Heuristics) is a new memetic algorithm for automated sequence-specific polypeptide backbone NMR assignment of proteins. MATCH employs local optimization for tracing partial sequence-specific assignments within a global, population-based search environment, where the simultaneous application of local and global optimization heuristics guarantees high efficiency and robustness. MATCH thus makes combined use of the two predominant concepts in use for automated NMR assignment of proteins. Dynamic transition and inherent mutation are new techniques that enable automatic adaptation to variable quality of the experimental input data. The concept of dynamic transition is incorporated in all major building blocks of the algorithm, where it enables switching between local and global optimization heuristics at any time during the assignment process. Inherent mutation restricts the intrinsically required randomness of the evolutionary algorithm to those regions of the conformation space that are compatible with the experimental input data. Using intact and artificially deteriorated APSY-NMR input data of proteins, MATCH performed sequence-specific resonance assignment with high efficiency and robustness

  19. Solving multiconstraint assignment problems using learning automata.

    Science.gov (United States)

    Horn, Geir; Oommen, B John

    2010-02-01

    This paper considers the NP-hard problem of object assignment with respect to multiple constraints: assigning a set of elements (or objects) into mutually exclusive classes (or groups), where the elements which are "similar" to each other are hopefully located in the same class. The literature reports solutions in which the similarity constraint consists of a single index that is inappropriate for the type of multiconstraint problems considered here and where the constraints could simultaneously be contradictory. This feature, where we permit possibly contradictory constraints, distinguishes this paper from the state of the art. Indeed, we are aware of no learning automata (or other heuristic) solutions which solve this problem in its most general setting. Such a scenario is illustrated with the static mapping problem, which consists of distributing the processes of a parallel application onto a set of computing nodes. This is a classical and yet very important problem within the areas of parallel computing, grid computing, and cloud computing. We have developed four learning-automata (LA)-based algorithms to solve this problem: First, a fixed-structure stochastic automata algorithm is presented, where the processes try to form pairs to go onto the same node. This algorithm solves the problem, although it requires some centralized coordination. As it is desirable to avoid centralized control, we subsequently present three different variable-structure stochastic automata (VSSA) algorithms, which have superior partitioning properties in certain settings, although they forfeit some of the scalability features of the fixed-structure algorithm. All three VSSA algorithms model the processes as automata having first the hosting nodes as possible actions; second, the processes as possible actions; and, third, attempting to estimate the process communication digraph prior to probabilistically mapping the processes. This paper, which, we believe, comprehensively reports the

  20. Experiments and strategies for the assignment of fully13 C/15N-labelled polypeptides by solid state NMR

    International Nuclear Information System (INIS)

    Straus, Suzana K.; Bremi, Tobias; Ernst, Richard R.

    1998-01-01

    High-resolution heteronuclear NMR correlation experiments and strategies are proposed for the assignment of fully 13 C/ 15 N-labelled polypeptides in the solid state. By the combination of intra-residue and inter-residue 13 C- 15 N correlation experiments with 13 C- 13 C spin-diffusion studies, it becomes feasible to partially assign backbone and side-chain resonances in solid proteins. The performance of sequences using 15 N instead of 13 C detection is evaluated regarding sensitivity and resolution for a labelled dipeptide (L-Val-L-Phe). The techniques are used for a partial assignment of the 15 N and 13 C resonances in human ubiquitin

  1. Resonating Statements

    DEFF Research Database (Denmark)

    Hjelholt, Morten; Jensen, Tina Blegind

    2015-01-01

    IT projects are often complex arrangements of technological components, social actions, and organizational transformation that are difficult to manage in practice. This paper takes an analytical discourse perspective to explore the process of legitimizing IT projects. We introduce the concept...... of resonating statements to highlight how central actors navigate in various discourses over time. Particularly, the statements and actions of an IT project manager are portrayed to show how individuals can legitimize actions by connecting statements to historically produced discourses. The case study...... as part of a feedback loop to re-attach the localized IT project to the broader national discourse. The paper concludes with reflections on how to actively build on resonating statements as a strategic resource for legitimizing IT projects...

  2. Gravitoelectromagnetic resonances

    International Nuclear Information System (INIS)

    Tsagas, Christos G.

    2011-01-01

    The interaction between gravitational and electromagnetic radiation has a rather long research history. It is well known, in particular, that gravity-wave distortions can drive propagating electromagnetic signals. Since forced oscillations provide the natural stage for resonances to occur, gravitoelectromagnetic resonances have been investigated as a means of more efficient gravity-wave detection methods. In this report, we consider the coupling between the Weyl and the Maxwell fields on a Minkowski background, which also applies to astrophysical environments where gravity is weak, at the second perturbative level. We use covariant methods that describe gravitational waves via the transverse component of the shear, instead of pure-tensor metric perturbations. The aim is to calculate the properties of the electromagnetic signal, which emerges from the interaction of its linear counterpart with an incoming gravitational wave. Our analysis shows how the wavelength and the amplitude of the gravitationally driven electromagnetic wave vary with the initial conditions. More specifically, for certain initial data, the amplitude of the induced electromagnetic signal is found to diverge. Analogous, diverging, gravitoelectromagnetic resonances were also reported in cosmology. Given that, we extend our Minkowski space study to cosmology and discuss analogies and differences in the physics and in the phenomenology of the Weyl-Maxwell coupling between the aforementioned two physical environments.

  3. Magnetic resonance annual 1986

    International Nuclear Information System (INIS)

    Kressel, H.Y.

    1986-01-01

    This book contains papers written on magnetic resonance during 1986. Topics include: musculosketetal magnetic resonance imaging; imaging of the spine; magnetic resonance chemical shift imaging; magnetic resonance imaging in the central nervous system; comparison to computed tomography; high resolution magnetic resonance imaging using surface coils; magnetic resonance imaging of the chest; magnetic resonance imaging of the breast; magnetic resonance imaging of the liver; magnetic resonance spectroscopy of neoplasms; blood flow effects in magnetic resonance imaging; and current and potential applications of clinical sodium magnetic resonance imaging

  4. 1004 RESONANCE November 2013

    Indian Academy of Sciences (India)

    IAS Admin

    1004. RESONANCE │ November 2013. Page 2. 1005. RESONANCE │ November 2013. Page 3. 1006. RESONANCE │ November 2013. Page 4. 1007. RESONANCE │ November 2013. Page 5. 1008. RESONANCE │ November 2013. Page 6. 1009. RESONANCE │ November 2013. Page 7. 1010. RESONANCE ...

  5. Even order snake resonances

    International Nuclear Information System (INIS)

    Lee, S.Y.

    1993-01-01

    We found that the perturbed spin tune due to the imperfection resonance plays an important role in beam depolarization at snake resonances. We also found that even order snake resonances exist in the overlapping intrinsic and imperfection resonances. Due to the perturbed spin tune shift of imperfection resonances, each snake resonance splits into two

  6. Artificial Neural Network Genetic Algorithm As Powerful Tool to Predict and Optimize In vitro Proliferation Mineral Medium for G × N15 Rootstock

    Science.gov (United States)

    Arab, Mohammad M.; Yadollahi, Abbas; Shojaeiyan, Abdolali; Ahmadi, Hamed

    2016-01-01

    One of the major obstacles to the micropropagation of Prunus rootstocks has, up until now, been the lack of a suitable tissue culture medium. Therefore, reformulation of culture media or modification of the mineral content might be a breakthrough to improve in vitro multiplication of G × N15 (garnem). We found artificial neural network in combination of genetic algorithm (ANN-GA) as a very precise and powerful modeling system for optimizing the culture medium, So that modeling the effects of MS mineral salts (NH4+, NO3-, PO42-, Ca2+, K+, SO42-, Mg2+, and Cl−) on in vitro multiplication parameters (the number of microshoots per explant, average length of microshoots, weight of calluses derived from the base of stem explants, and quality index of plantlets) of G × N15. Showed high R2 correlation values of 87, 91, 87, and 74 between observed and predicted values were found for these four growth parameters, respectively. According to the ANN-GA results, among the input variables, NH4+ and NO3- had the highest values of VSR in data set for the parameters studied. The ANN-GA showed that the best proliferation rate was obtained from medium containing (mM) 27.5 NO3-, 14 NH4+, 5 Ca2+, 25.9 K+, 0.7 Mg2+, 1.1 PO42-, 4.7 SO42-, and 0.96 Cl−. The performance of the medium optimized by ANN-GA, denoted as YAS (Yadollahi, Arab and Shojaeiyan), was compared to that of standard growth media for all Prunus rootstock, including the Murashige and Skoog (MS) medium, (specific media) EM, Quoirin and Lepoivre (QL) medium, and woody plant medium (WPM) Prunus. With respect to shoot length, shoot number per cultured explant and productivity (number of microshoots × length of microshoots), YAS was found to be superior to other media for in vitro multiplication of G × N15 rootstocks. In addition, our results indicated that by using ANN-GA, we were able to determine a suitable culture medium formulation to achieve the best in vitro productivity. PMID:27807436

  7. Artificial Neural Network Genetic Algorithm As Powerful Tool to Predict and Optimize In vitro Proliferation Mineral Medium for G × N15 Rootstock.

    Science.gov (United States)

    Arab, Mohammad M; Yadollahi, Abbas; Shojaeiyan, Abdolali; Ahmadi, Hamed

    2016-01-01

    One of the major obstacles to the micropropagation of Prunus rootstocks has, up until now, been the lack of a suitable tissue culture medium. Therefore, reformulation of culture media or modification of the mineral content might be a breakthrough to improve in vitro multiplication of G × N15 (garnem). We found artificial neural network in combination of genetic algorithm (ANN-GA) as a very precise and powerful modeling system for optimizing the culture medium, So that modeling the effects of MS mineral salts ([Formula: see text], [Formula: see text], [Formula: see text], Ca 2+ , K + , [Formula: see text], Mg 2+ , and Cl - ) on in vitro multiplication parameters (the number of microshoots per explant, average length of microshoots, weight of calluses derived from the base of stem explants, and quality index of plantlets) of G × N15. Showed high R 2 correlation values of 87, 91, 87, and 74 between observed and predicted values were found for these four growth parameters, respectively. According to the ANN-GA results, among the input variables, [Formula: see text] and [Formula: see text] had the highest values of VSR in data set for the parameters studied. The ANN-GA showed that the best proliferation rate was obtained from medium containing (mM) 27.5 [Formula: see text], 14 [Formula: see text], 5 Ca 2+ , 25.9 K + , 0.7 Mg 2+ , 1.1 [Formula: see text], 4.7 [Formula: see text], and 0.96 Cl - . The performance of the medium optimized by ANN-GA, denoted as YAS (Yadollahi, Arab and Shojaeiyan), was compared to that of standard growth media for all Prunus rootstock, including the Murashige and Skoog (MS) medium, (specific media) EM, Quoirin and Lepoivre (QL) medium, and woody plant medium (WPM) Prunus . With respect to shoot length, shoot number per cultured explant and productivity (number of microshoots × length of microshoots), YAS was found to be superior to other media for in vitro multiplication of G × N15 rootstocks. In addition, our results indicated that by

  8. Dual earners’ willingness to accept an international assignment.

    NARCIS (Netherlands)

    van der Velde, E.G.; Bossink, C.J.H.; Jansen, P.G.W.

    2005-01-01

    Multinational organisations experience difficulties in finding managers willing to accept international assignments. This study has therefore focused on factors that can predict males' and females' willingness to accept international assignments, or to follow their partners on international

  9. Efficient Mechanisms to Allocate Assignment Incentives in the Navy

    National Research Council Canada - National Science Library

    Nimon, R. W; Hall, Ricky D; Zaki, Hossam

    2005-01-01

    .... All assignments, however, may not necessarily be voluntary. These assignments (jobs) have been labeled as "hard to fill" by Navy leadership, and the Navy has implemented market-based, cash stipends to attract Sailors to these jobs...

  10. Comparing Examples: WebAssign versus Textbook

    Science.gov (United States)

    Richards, Evan; Polak, Jeff; Hardin, Ashley; Risley, John, , Dr.

    2005-11-01

    Research shows students can learn from worked examples.^1 This pilot study compared two groups of students' performance (10 each) in solving physics problems. One group had access to interactive examples^2 released in WebAssign^3, while the other group had access to the counterpart textbook examples. Verbal data from students in problem solving sessions was collected using a think aloud protocol^4 and the data was analyzed using Chi's procedures.^5 An explanation of the methodology and results will be presented. Future phases of this pilot study based upon these results will also be discussed. ^1Atkinson, R.K., Derry, S.J., Renkl A., Wortham, D. (2000). ``Learning from Examples: Instructional Principles from the Worked Examples Research'', Review of Educational Research, vol. 70, n. 2, pp. 181-214. ^2Serway, R.A. & Faughn, J.S. (2006). College Physics (7^th ed.). Belmont, CA: Thomson Brooks/Cole. ^3 see www.webassign.net ^4 Ericsson, K.A. & Simon, H.A. (1984). Protocol Analysis: Verbal Reports as Data. Cambridge, Massachusetts: The MIT Press. ^5 Chi, Michelene T.H. (1997). ``Quantifying Qualitative Analyses of Verbal Data: A Practical Guide,'' The Journal of the Learning Sciences, vol. 6, n. 3, pp. 271-315.

  11. Effect of reactor irradiation on long-term strength and creep of 0Kh16N15M3B steel under plane stressed state

    International Nuclear Information System (INIS)

    Khristov, G.P.; Kosov, B.D.

    1982-01-01

    The paper deals with analysis of results of experimental studies in creep of the austenitic OKh16n15m3b steel with various size of initial-structure grain under conditions of high-intensity reactor irradiation and control tests. It is suggested to consider the material initial structure effect on intensity of minimum creep rates both under ordinary and intrareactor conditions of loading by means of the function grain size effect on the equivalent stress. It is shown that the criterial expression previously suggested by the authors is invariant to the type of stressed and structural states and relative to intensity of minimal creep rates. It is established that the creep rate of the irradiated steel may be calculated from dependence for nonirradiated steel using as an argument a certain reduced equivalent stress which is a function of the acting stress and irradiation parameter

  12. Cross sections and analyzing powers of 15N(p,n)15O at 200 MeV and 494 MeV

    International Nuclear Information System (INIS)

    Ciskowski, D.E.

    1989-11-01

    Differential cross sections and analyzing powers have been measured for the 15 N(p,n) 15 O(g.s.) reaction at bombarding energies of 200 MeV and 494 MeV. The 494 MeV data were obtained at the LAMPF Neutron Time-Of-Flight Facility on an 82 m flight path with a resolution of about 2.7 MeV. The 200 MeV data were obtained at IUCF on a 76m flight path with a resolution of about 1.1 MeV. At both energies, the measured analyzing power is small, the magnitude is less than .2 for momentum transfers of less than 1 fm -1 . In contrast, both Relativistic and standard DWIA calculations predict a maximum of A=-.7 near q=0.7 fm -1 . 53 refs., 44 figs

  13. SCRAED - Simple and Complex Random Assignment in Experimental Designs

    OpenAIRE

    Alferes, Valentim R.

    2009-01-01

    SCRAED is a package of 37 self-contained SPSS syntax files that performs simple and complex random assignment in experimental designs. For between-subjects designs, SCRAED includes simple random assignment (no restrictions, forced equal sizes, forced unequal sizes, and unequal probabilities), block random assignment (simple and generalized blocks), and stratified random assignment (no restrictions, forced equal sizes, forced unequal sizes, and unequal probabilities). For within-subject...

  14. Optimal assignment of incoming flights to baggage carousels at airports

    DEFF Research Database (Denmark)

    Barth, Torben C.

    The problem considered in this report is an assignment problem occurring at airports. This problem concerns the assignment of baggage carousels in baggage claim halls to arriving aircraft (baggage carousel assignment problem). This is a highly dynamic problem since disruptions frequently occur du...... and in general is a substantial support in decision making....

  15. Computational Aspects of Assigning Agents to a Line

    DEFF Research Database (Denmark)

    Aziz, Haris; Hougaard, Jens Leth; Moreno-Ternero, Juan D.

    2017-01-01

    -egalitarian assignments. The approach relies on an algorithm which is shown to be faster than general purpose algorithms for the assignment problem. We also extend the approach to probabilistic assignments and explore the computational features of existing, as well as new, methods for this setting....

  16. Computational aspects of assigning agents to a line

    DEFF Research Database (Denmark)

    Aziz, Haris; Hougaard, Jens Leth; Moreno-Ternero, Juan D.

    2017-01-01

    -egalitarian assignments. The approach relies on an algorithm which is shown to be faster than general purpose algorithms for the assignment problem. We also extend the approach to probabilistic assignments and explore the computational features of existing, as well as new, methods for this setting....

  17. The Presentation Assignment: Creating Learning Opportunities for Diverse Student Populations.

    Science.gov (United States)

    Spencer, Brenda H.; Bartle-Angus, Kathryn

    2000-01-01

    Finds the presentation assignment to be an effective method of providing students with the opportunity to apply the literacy skills they are learning in ways that are personally meaningful. Describes the presentation assignment framework and provides an example of an assignment that required students to analyze and interpret works of literature…

  18. Assignment Procedures in the Air Force Procurement Management Information System.

    Science.gov (United States)

    Ward, Joe H., Jr.; And Others

    An overview is presented of the procedure for offering jobs in the Air Force Procurement Management Information System (PROMIS), an assignment system which makes possible the use of human resources research findings to improve individual personnel assignments. A general framework for viewing personnel assignment systems is presented; then job…

  19. 75 FR 55354 - Delegation of Authority and Assignment of Responsibilities

    Science.gov (United States)

    2010-09-10

    ... DEPARTMENT OF LABOR Office of the Secretary Delegation of Authority and Assignment of Responsibilities Secretary's Order 3-2010 Subject: Delegation of Authority and Assignment of Responsibilities to... Secretary to enforce sections 18A and 18B of the FLSA. 4. Delegation of Authority and Assignment of...

  20. 75 FR 55355 - Delegation of Authority and Assignment of Responsibility

    Science.gov (United States)

    2010-09-10

    ... DEPARTMENT OF LABOR Office of the Secretary Delegation of Authority and Assignment of Responsibility Secretary's Order 4-2010 Subject: Delegation of Authority and Assignment of Responsibility to the... delegations and assignments in full force and effect, except as expressly modified herein. 4. Delegation of...

  1. A Computerized Approach to Trickle-Process, Random Assignment.

    Science.gov (United States)

    Braucht, G. Nicholas; Reichardt, Charles S.

    1993-01-01

    Procedures for implementing random assignment with trickle processing and ways they can be corrupted are described. A computerized method for implementing random assignment with trickle processing is presented as a desirable alternative in many situations and a way of protecting against threats to assignment validity. (SLD)

  2. 7 CFR 900.106 - Assignment of mediator.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Assignment of mediator. 900.106 Section 900.106 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing... Assignment of mediator. The Director of the Division shall assign a mediator, from the group designated by...

  3. A property of assignment type mixed integer linear programming problems

    NARCIS (Netherlands)

    Benders, J.F.; van Nunen, J.A.E.E.

    1982-01-01

    In this paper we will proof that rather tight upper bounds can be given for the number of non-unique assignments that are achieved after solving the linear programming relaxation of some types of mixed integer linear assignment problems. Since in these cases the number of splitted assignments is

  4. One of My Favorite Assignments: Automated Teller Machine Simulation.

    Science.gov (United States)

    Oberman, Paul S.

    2001-01-01

    Describes an assignment for an introductory computer science class that requires the student to write a software program that simulates an automated teller machine. Highlights include an algorithm for the assignment; sample file contents; language features used; assignment variations; and discussion points. (LRW)

  5. Student generated assignments about electrical circuits in a computer simulation

    NARCIS (Netherlands)

    Vreman-de Olde, Cornelise; de Jong, Anthonius J.M.

    2004-01-01

    In this study we investigated the design of assignments by students as a knowledge-generating activity. Students were required to design assignments for 'other students' in a computer simulation environment about electrical circuits. Assignments consisted of a question, alternatives, and feedback on

  6. Resonance assignment of PsbP: an extrinsic protein from photosystem II of Spinacia oleracea

    Czech Academy of Sciences Publication Activity Database

    Rathner, A.; Chandra, K.; Rathner, P.; Horničáková, M.; Schlagnitweit, J.; Kohoutová, Jaroslava; Ettrich, Rüdiger; Müller, N.

    2015-01-01

    Roč. 9, č. 2 (2015), s. 341-346 ISSN 1874-2718 Institutional support: RVO:61388971 Keywords : PsbP * Photosystem II * Oxygen evolving complex Subject RIV: EE - Microbiology, Virology Impact factor: 0.687, year: 2015

  7. Letter to the Editor: Backbone resonance assignment of protease from Mason-Pfizer monkey virus

    Czech Academy of Sciences Publication Activity Database

    Veverka, V.; Bauerová, Helena; Zábranský, Aleš; Pichová, Iva; Hrabal, R.

    2001-01-01

    Roč. 20, - (2001), s. 291-292 ISSN 0925-2738 R&D Projects: GA ČR GA203/00/1241 Grant - others:Fogarty International Award(US) TW00050 Institutional research plan: CEZ:AV0Z4055905 Keywords : Mason-Pfizer monkey virus * retroviral protease Subject RIV: CE - Biochemistry Impact factor: 4.636, year: 2001

  8. Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS-FTMS data.

    Science.gov (United States)

    Benigni, Paolo; Marin, Rebecca; Fernandez-Lima, Francisco

    2015-10-01

    With the advent of high resolution ion mobility analyzers and their coupling to ultrahigh resolution mass spectrometers, there is a need to further develop a theoretical workflow capable of correlating experimental accurate mass and mobility measurements with tridimensional candidate structures. In the present work, a general workflow is described for unsupervised tridimensional structural assignment based on accurate mass measurements, mobility measurements, in silico 2D-3D structure generation, and theoretical mobility calculations. In particular, the potential of this workflow will be shown for the analysis of polyaromatic hydrocarbons from Coal Tar SRM 1597a using selected accumulation - trapped ion mobility spectrometry (SA-TIMS) coupled to Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). The proposed workflow can be adapted to different IMS scenarios, can utilize different collisional cross-section calculators and has the potential to include MS n and IMS n measurements for faster and more accurate tridimensional structural assignment.

  9. Complete sequence-specific 1H NMR assignments for human insulin

    International Nuclear Information System (INIS)

    Kline, A.D.; Justice, R.M. Jr.

    1990-01-01

    Solvent conditions where human insulin could be studied by high-resolution NMR were determined. Both low pH and addition of acetonitrile were required to overcome the protein's self-association and to obtain useful spectra. Two hundred eighty-six 1 H resonances were located and assigned to specific sites on the protein by using two-dimensional NMR methods. The presence and position of numerous d NN sequential NOE's indicate that the insulin conformation seen in crystallographic studies is largely retained under these solution conditions. Slowly exchanging protons were observed for seven backbone amide protons and were assigned to positions A15 and A16 and to positions B15-B19. These amides all occur within helical regions of the protein

  10. Phase modulated 2D HSQC-TOCSY for unambiguous assignment of overlapping spin systems

    Science.gov (United States)

    Singh, Amrinder; Dubey, Abhinav; Adiga, Satish K.; Atreya, Hanudatta S.

    2018-01-01

    We present a new method that allows one to unambiguously resolve overlapping spin systems often encountered in biomolecular systems such as peptides and proteins or in samples containing a mixture of different molecules such as in metabolomics. We address this problem using the recently proposed phase modulation approach. By evolving the 1H chemical shifts in a conventional two dimensional (2D) HSQC-TOCSY experiment for a fixed delay period, the phase/intensity of set of cross peaks belonging to one spin system are modulated differentially relative to those of its overlapping counterpart, resulting in their discrimination and recognition. The method thus accelerates the process of identification and resonance assignment of individual compounds in complex mixtures. This approach facilitated the assignment of molecules in the embryo culture medium used in human assisted reproductive technology.

  11. Strategy for complete NMR assignment of disordered proteins with highly repetitive sequences based on resolution-enhanced 5D experiments

    Energy Technology Data Exchange (ETDEWEB)

    Motackova, Veronika; Novacek, Jiri [Masaryk University, Faculty of Science, National Centre for Biomolecular Research (Czech Republic); Zawadzka-Kazimierczuk, Anna; Kazimierczuk, Krzysztof [University of Warsaw, Faculty of Chemistry (Poland); Zidek, Lukas, E-mail: lzidek@chemi.muni.c [Masaryk University, Faculty of Science, National Centre for Biomolecular Research (Czech Republic); Sanderova, Hana; Krasny, Libor [Academy of Sciences of the Czech Republic, Laboratory of Molecular Genetics of Bacteria and Department of Bacteriology, Institute of Microbiology (Czech Republic); Kozminski, Wiktor [University of Warsaw, Faculty of Chemistry (Poland); Sklenar, Vladimir [Masaryk University, Faculty of Science, National Centre for Biomolecular Research (Czech Republic)

    2010-11-15

    A strategy for complete backbone and side-chain resonance assignment of disordered proteins with highly repetitive sequence is presented. The protocol is based on three resolution-enhanced NMR experiments: 5D HN(CA)CONH provides sequential connectivity, 5D HabCabCONH is utilized to identify amino acid types, and 5D HC(CC-TOCSY)CONH is used to assign the side-chain resonances. The improved resolution was achieved by a combination of high dimensionality and long evolution times, allowed by non-uniform sampling in the indirect dimensions. Random distribution of the data points and Sparse Multidimensional Fourier Transform processing were used. Successful application of the assignment procedure to a particularly difficult protein, {delta} subunit of RNA polymerase from Bacillus subtilis, is shown to prove the efficiency of the strategy. The studied protein contains a disordered C-terminal region of 81 amino acids with a highly repetitive sequence. While the conventional assignment methods completely failed due to a very small differences in chemical shifts, the presented strategy provided a complete backbone and side-chain assignment.

  12. Ner protein of phage Mu: Assignments using {sup 13}C/{sup 15}N-labeled protein

    Energy Technology Data Exchange (ETDEWEB)

    Strzelecka, T.; Gronenborn, A.M.; Clore, G.M. [National Institutes of Health, Bethesda, MD (United States)

    1994-12-01

    The Ner protein is a small (74-amino acid) DNA-binding protein that regulates a switch between the lysogenic and lytic stages of phage Mu. It inhibits expression of the C repressor gene and down-regulates its own expression. Two-dimensional NMR experiments on uniformly {sup 15}N-labeled protein provided most of the backbone and some of the sidechain proton assignments. The secondary structure determination using two-dimensional NOESY experiments showed that Ner consists of five {alpha}-helices. However, because most of the sidechain protons could not be assigned, the full structure was not determined. Using uniformly {sup 13}C/{sup 15}N-labeled Ner and a set of three-dimensional experiments, we were able to assign all of the backbone and 98% of the sidechain protons. In particular, the CBCANH and CBCA(CO)NH experiments were used to sequentially assign the C{alpha} and C{beta} resonances; the HCCH-CTOCSY and HCCH-COSY were used to assign sidechain carbon and proton resonances.

  13. Applied neutron resonance theory

    International Nuclear Information System (INIS)

    Froehner, F.H.

    1980-01-01

    Utilisation of resonance theory in basic and applications-oriented neutron cross section work is reviewed. The technically important resonance formalisms, principal concepts and methods as well as representative computer programs for resonance parameter extraction from measured data, evaluation of resonance data, calculation of Doppler-broadened cross sections and estimation of level-statistical quantities from resonance parameters are described. (author)

  14. Applied neutron resonance theory

    International Nuclear Information System (INIS)

    Froehner, F.H.

    1978-07-01

    Utilisation of resonance theory in basic and applications-oriented neutron cross section work is reviewed. The technically important resonance formalisms, principal concepts and methods as well as representative computer programs for resonance parameter extraction from measured data, evaluation of resonance data, calculation of Doppler-broadened cross sections and estimation of level-statistical quantities from resonance parameters are described. (orig.) [de

  15. Dynamic domains of amyloid fibrils can be site-specifically assigned with proton detected 3D NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Falk, Alexander S.; Siemer, Ansgar B., E-mail: asiemer@usc.edu [Keck School of Medicine of USC, Department of Biochemistry and Molecular Medicine, Zilkha Neurogenetic Institute (United States)

    2016-11-15

    Several amyloid fibrils have cores framed by highly dynamic, intrinsically disordered, domains that can play important roles for function and toxicity. To study these domains in detail using solid-state NMR spectroscopy, site-specific resonance assignments are required. Although the rapid dynamics of these domains lead to considerable averaging of orientation-dependent NMR interactions and thereby line-narrowing, the proton linewidths observed in these samples is far larger than what is regularly observed in solution. Here, we show that it is nevertheless possible to record 3D HNCO, HNCA, and HNcoCA spectra on these intrinsically disordered domains and to obtain site-specific assignments.

  16. Dynamic domains of amyloid fibrils can be site-specifically assigned with proton detected 3D NMR spectroscopy

    International Nuclear Information System (INIS)

    Falk, Alexander S.; Siemer, Ansgar B.

    2016-01-01

    Several amyloid fibrils have cores framed by highly dynamic, intrinsically disordered, domains that can play important roles for function and toxicity. To study these domains in detail using solid-state NMR spectroscopy, site-specific resonance assignments are required. Although the rapid dynamics of these domains lead to considerable averaging of orientation-dependent NMR interactions and thereby line-narrowing, the proton linewidths observed in these samples is far larger than what is regularly observed in solution. Here, we show that it is nevertheless possible to record 3D HNCO, HNCA, and HNcoCA spectra on these intrinsically disordered domains and to obtain site-specific assignments.

  17. Narrow dibaryon resonances

    International Nuclear Information System (INIS)

    Kajdalov, A.B.

    1986-01-01

    Experimental data on np interactions indicating to existence of narrow resonances in pp-system are discussed. Possible theoretical interpretations of these resonances are given. Experimental characteristics of the dibaryon resonances with isospin I=2 are considered

  18. MRI (Magnetic Resonance Imaging)

    Science.gov (United States)

    ... Procedures Medical Imaging MRI (Magnetic Resonance Imaging) MRI (Magnetic Resonance Imaging) Share Tweet Linkedin Pin it More sharing options Linkedin Pin it Email Print Magnetic Resonance Imaging (MRI) is a medical imaging procedure for ...

  19. Studies of the efficiency of nitrogen placement methods and slow release nitrogen fertilizers for rice and wheat, using N-15 labelled fertilizers

    International Nuclear Information System (INIS)

    Shaukat, A.

    1979-12-01

    A series of experiments with rice and wheat were carried out to study the efficiency of nitrogen placement methods and slow-release nitrogen fertilizers for these two crops using N-15-labelled fertilizer. The results show that (1) reduced N levels, of the order of 75 percent of the full recommended dose, are equally efficient as the full dose for wheat. The yield of rice grain increased with the increased dose of nitrogen; (2) Point placement of fertilizers for rice was superior to broadcast application in terms of uptake and yield. For optimum yield of wheat grain, urea should perferably be applied as a single dose banded between the rows at 5 cm depth or by broadcasting and incorporation in the soil at the time of sowing; (3) Sulphur-coated urea (SCU) at a comparable dose and mode of application gave better yields of rice grain than the application of urea and IBDU (Isobutylidine Diurea); (4) More nitrogen was taken up by wheat when SCU was applied. The best uptake was when it was applied half at sowing and half at tillering. The nitrogen uptake from the SCU by point placement was better for rice plants than broadcast application and was higher in magnitude than the IBDU

  20. WebAssign: Assessing Your Students' Understanding Continuously

    Science.gov (United States)

    Risley, John S.

    1999-11-01

    Motivating students to learn is a constant challenge for faculty. Technology can play a significant role. One such solution is WebAssign — a web-based homework system that offers new teaching and learning opportunities for educators and their students. WebAssign delivers, collects, grades, and records customized homework assignments over the Internet. Students get immediate feedback with credit and instructors can implement "Just-in-Time" teaching. In this talk, I will describe how assignments can be generated with different numerical values for each question, giving each student a unique problem to solve. This feature encourages independent thinking with the benefit of collaborative learning. Example assignments taken from textbook questions and intellectually engaging Java applet simulations will be shown. Studies and first-hand experience on the educational impact of using WebAssign will also be discussed.

  1. Regenerative feedback resonant circuit

    Science.gov (United States)

    Jones, A. Mark; Kelly, James F.; McCloy, John S.; McMakin, Douglas L.

    2014-09-02

    A regenerative feedback resonant circuit for measuring a transient response in a loop is disclosed. The circuit includes an amplifier for generating a signal in the loop. The circuit further includes a resonator having a resonant cavity and a material located within the cavity. The signal sent into the resonator produces a resonant frequency. A variation of the resonant frequency due to perturbations in electromagnetic properties of the material is measured.

  2. Resonances, resonance functions and spectral deformations

    International Nuclear Information System (INIS)

    Balslev, E.

    1984-01-01

    The present paper is aimed at an analysis of resonances and resonance states from a mathematical point of view. Resonances are characterized as singular points of the analytically continued Lippman-Schwinger equation, as complex eigenvalues of the Hamiltonian with a purely outgoing, exponentially growing eigenfunction, and as poles of the S-matrix. (orig./HSI)

  3. Ant Colony Algorithm and Simulation for Robust Airport Gate Assignment

    Directory of Open Access Journals (Sweden)

    Hui Zhao

    2014-01-01

    Full Text Available Airport gate assignment is core task for airport ground operations. Due to the fact that the departure and arrival time of flights may be influenced by many random factors, the airport gate assignment scheme may encounter gate conflict and many other problems. This paper aims at finding a robust solution for airport gate assignment problem. A mixed integer model is proposed to formulate the problem, and colony algorithm is designed to solve this model. Simulation result shows that, in consideration of robustness, the ability of antidisturbance for airport gate assignment scheme has much improved.

  4. Stochastic resonance

    International Nuclear Information System (INIS)

    Wellens, Thomas; Shatokhin, Vyacheslav; Buchleitner, Andreas

    2004-01-01

    We are taught by conventional wisdom that the transmission and detection of signals is hindered by noise. However, during the last two decades, the paradigm of stochastic resonance (SR) proved this assertion wrong: indeed, addition of the appropriate amount of noise can boost a signal and hence facilitate its detection in a noisy environment. Due to its simplicity and robustness, SR has been implemented by mother nature on almost every scale, thus attracting interdisciplinary interest from physicists, geologists, engineers, biologists and medical doctors, who nowadays use it as an instrument for their specific purposes. At the present time, there exist a lot of diversified models of SR. Taking into account the progress achieved in both theoretical understanding and practical application of this phenomenon, we put the focus of the present review not on discussing in depth technical details of different models and approaches but rather on presenting a general and clear physical picture of SR on a pedagogical level. Particular emphasis will be given to the implementation of SR in generic quantum systems-an issue that has received limited attention in earlier review papers on the topic. The major part of our presentation relies on the two-state model of SR (or on simple variants thereof), which is general enough to exhibit the main features of SR and, in fact, covers many (if not most) of the examples of SR published so far. In order to highlight the diversity of the two-state model, we shall discuss several examples from such different fields as condensed matter, nonlinear and quantum optics and biophysics. Finally, we also discuss some situations that go beyond the generic SR scenario but are still characterized by a constructive role of noise

  5. {sup 1}H HR-MAS NMR and S180 cells: metabolite assignment and evaluation of pulse sequence

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Aline L. de; Martinelli, Bruno César B.; Lião, Luciano M. [Universidade Federal de Goiás (UFG), Goiânia, GO (Brazil). Instituto de Química. Lab. de RMN; Pereira, Flávia C.; Silveira-Lacerda, Elisangela P. [Universidade Federal de Goiás (UFG), Goiânia, GO (Brazil). Instituto de Ciências Biológicas. Laboratório Genética Molecular e Citogenética; Alcantara, Glaucia B., E-mail: glaucia.alcantara@ufms.br [Universidade Federal de Mato Grosso do Sul (UFMS), Campo Grande, MS (Brazil). Inst. de Química

    2014-07-01

    High resolution magic angle spinning {sup 1}H nuclear magnetic resonance spectroscopy (HR-MAS NMR) is a useful technique for evaluation of intact cells and tissues. However, optimal NMR parameters are crucial in obtaining reliable results. To identify the key steps for the optimization of HR-MAS NMR parameters, we assessed different pulse sequences and NMR parameters using sarcoma 180 (S180) cells. A complete assignment of the metabolites of S180 is given to assist future studies. (author)

  6. 1H HR-MAS NMR and S180 cells: metabolite assignment and evaluation of pulse sequence

    International Nuclear Information System (INIS)

    Oliveira, Aline L. de; Martinelli, Bruno César B.; Lião, Luciano M.; Pereira, Flávia C.; Silveira-Lacerda, Elisangela P.; Alcantara, Glaucia B.

    2014-01-01

    High resolution magic angle spinning 1 H nuclear magnetic resonance spectroscopy (HR-MAS NMR) is a useful technique for evaluation of intact cells and tissues. However, optimal NMR parameters are crucial in obtaining reliable results. To identify the key steps for the optimization of HR-MAS NMR parameters, we assessed different pulse sequences and NMR parameters using sarcoma 180 (S180) cells. A complete assignment of the metabolites of S180 is given to assist future studies. (author)

  7. Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins

    International Nuclear Information System (INIS)

    Vuister, G.W.; Boelens, R.; Padilla, A.; Kleywegt, G.J.; Kaptein, R.

    1990-01-01

    The increase in dimensionality of three-dimensional (3D) NMR greatly enhances the spectral resolution in comparison to 2D NMR. It alleviates the problem of resonance overlap and may extend the range of molecules amenable to structure determination by high-resolution NMR spectroscopy. Here, the authors present strategies for the assignment of protein resonances from homonuclear nonselective 3D NOE-HOHAHA spectra. A notation for connectivities between protons, corresponding to cross peaks in 3D spectra, is introduced. They show how spin systems can be identified by tracing cross-peak patterns in cross sections perpendicular to the three frequency axes. The observable 3D sequential connectivities in proteins are tabulated, and estimates for the relative intensities of the corresponding cross peaks are given for α-helical and β-sheet conformations. Intensities of the cross peaks in the 3D spectrum of pike III paravalbumin follow the predictions. The sequential-assignment procedure is illustrated for loop regions, extended and α-helical conformations for the residues Ala 54-Leu 63 of paravalbumin. NOEs that were not previously identified in 2D spectra of paravalbumin due to overlap are found

  8. Negotiating Languages and Cultures: Enacting Translingualism through a Translation Assignment

    Science.gov (United States)

    Kiernan, Julia; Meier, Joyce; Wang, Xiqiao

    2016-01-01

    This collaborative project explores the affordances of a translation assignment in the context of a learner-centered pedagogy that places composition students' movement among languages and cultures as both a site for inquiry and subject of analysis. The translation assignment asks students to translate scholarly articles or culture stories from…

  9. On some special cases of the restricted assignment problem

    NARCIS (Netherlands)

    Wang, C. (Chao); R.A. Sitters (René)

    2016-01-01

    textabstractWe consider some special cases of the restricted assignment problem. In this scheduling problem on parallel machines, any job j can only be assigned to one of the machines in its given subset Mj of machines. We give an LP-formulation for the problem with two job sizes and show that it

  10. 25 CFR 225.33 - Assignment of minerals agreements.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Assignment of minerals agreements. 225.33 Section 225.33 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR ENERGY AND MINERALS OIL AND GAS, GEOTHERMAL, AND SOLID MINERALS AGREEMENTS Minerals Agreements § 225.33 Assignment of minerals agreements. An...

  11. On the Use of Writing Assignments in Intermediate Microeconomic Theory

    Science.gov (United States)

    O'Neill, Patrick B.

    2009-01-01

    A typical writing assignment in upper level required courses is a term paper. However many economics majors, particularly those in business schools, need to develop skill at writing shorter pieces. In this paper I describe numerous examples of shorter writing assignments that I have incorporated into an Intermediate Microeconomic Theory course.…

  12. 75 FR 55352 - Delegation of Authorities and Assignment of Responsibilities

    Science.gov (United States)

    2010-09-10

    ... DEPARTMENT OF LABOR Office of the Secretary Delegation of Authorities and Assignment of Responsibilities Secretary's Order 5-2010 Subject: Delegation of Authorities and Assignment of Responsibilities to... rather than the Administrator, WHD (see also Secretary's Order 3-2010). 5. Delegations of Authority and...

  13. 7 CFR 1900.5 - Assignment of cases.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 12 2010-01-01 2010-01-01 false Assignment of cases. 1900.5 Section 1900.5 Agriculture Regulations of the Department of Agriculture (Continued) RURAL HOUSING SERVICE, RURAL BUSINESS... REGULATIONS GENERAL Delegations of Authority § 1900.5 Assignment of cases. The State Director may, in writing...

  14. Students' Evaluation of Writing Assignments in an Abnormal Psychology Course.

    Science.gov (United States)

    Procidano, Mary E.

    1991-01-01

    Presents a study in which students in an abnormal psychology class rated the usefulness of drafts for two writing assignments. Reports that a research proposal was more effective than a case study in generating interest in psychology and opportunity for creativity. Concludes that writing assignments should reflect important aspects of a…

  15. 14 CFR 1245.109 - Assignment of title to NASA.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Assignment of title to NASA. 1245.109... INTELLECTUAL PROPERTY RIGHTS Patent Waiver Regulations § 1245.109 Assignment of title to NASA. (a) The instrument of waiver set forth in § 1245.115(c) shall be voided by NASA with respect to the domestic title to...

  16. 32 CFR 644.396 - Assignment of personnel to administer.

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 4 2010-07-01 2010-07-01 true Assignment of personnel to administer. 644.396... PROPERTY REAL ESTATE HANDBOOK Disposal Predisposal Action § 644.396 Assignment of personnel to administer... responsible representative to each installation, or group of installations, to act under his staff supervision...

  17. Exogenous spatial attention influences figure-ground assignment.

    Science.gov (United States)

    Vecera, Shaun P; Flevaris, Anastasia V; Filapek, Joseph C

    2004-01-01

    In a hierarchical stage account of vision, figure-ground assignment is thought to be completed before the operation of focal spatial attention. Results of previous studies have supported this account by showing that unpredictive, exogenous spatial precues do not influence figure-ground assignment, although voluntary attention can influence figure-ground assignment. However, in these studies, attention was not summoned directly to a region in a figure-ground display. In three experiments, we addressed the relationship between figure-ground assignment and visuospatial attention. In Experiment 1, we replicated the finding that exogenous precues do not influence figure-ground assignment when they direct attention outside of a figure-ground stimulus. In Experiment 2, we demonstrated that exogenous attention can influence figure-ground assignment if it is directed to one of the regions in a figure-ground stimulus. In Experiment 3, we demonstrated that exogenous attention can influence figure-ground assignment in displays that contain a Gestalt figure-ground cue; this result suggests that figure-ground processes are not entirely completed prior to the operation of focal spatial attention. Exogenous spatial attention acts as a cue for figure-ground assignment and can affect the outcome of figure-ground processes.

  18. Parentage assignment of progeny in mixed milt fertilization of ...

    African Journals Online (AJOL)

    Administrator

    2011-06-13

    Jun 13, 2011 ... individuals. Overall, 98.8% of progeny were assigned to their parents using Family Assignment. Program (FAP). Selection of hyper-variable microsatellites in Caspian brown trout to identify unique alleles was effective for unambiguous parentage determination and estimation of genetic diversity in this study.

  19. Genetics of traffic assignment models for strategic transport planning

    NARCIS (Netherlands)

    Bliemer, M.C.J.; Raadsen, M.P.H.; Brederode, L.J.N.; Bell, M.G.H.; Wismans, Luc Johannes Josephus; Smith, M.J.

    2016-01-01

    This paper presents a review and classification of traffic assignment models for strategic transport planning purposes by using concepts analogous to genetics in biology. Traffic assignment models share the same theoretical framework (DNA), but differ in capability (genes). We argue that all traffic

  20. Scaffolding Assignments and Activities for Undergraduate Research Methods

    Science.gov (United States)

    Fisher, Sarah; Justwan, Florian

    2018-01-01

    This article details assignments and lessons created for and tested in research methods courses at two different universities, a large state school and a small liberal arts college. Each assignment or activity utilized scaffolding. Students were asked to push beyond their comfort zone while utilizing concrete and/or creative examples,…

  1. A Poster Assignment Connects Information Literacy and Writing Skills

    Science.gov (United States)

    Waters, Natalie

    2015-01-01

    This paper describes the implementation of a poster assignment in a writing and information literacy course required for undergraduate Life Sciences and Environmental Biology majors with the Faculty of Agricultural and Environmental Sciences at McGill University. The assignment was introduced in response to weaknesses identified through course…

  2. Personnel shift assignment: Existence conditions and network models

    NARCIS (Netherlands)

    van den Berg, Jeroen P.; van den Berg, J.P.; Panton, David M.

    1994-01-01

    The personnel scheduling problem is known to be a five-stage process in which the final stage involves the assignment of shifts to the days worked in the schedule. This paper discusses the existence conditions for both continuous and forward rotating shift assignments and heuristic network

  3. 28 CFR 545.23 - Inmate work/program assignment.

    Science.gov (United States)

    2010-07-01

    ... community living area, unless the pretrial inmate has signed a waiver of his or her right not to work (see... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Inmate work/program assignment. 545.23... WORK AND COMPENSATION Inmate Work and Performance Pay Program § 545.23 Inmate work/program assignment...

  4. Automating Formative and Summative Feedback for Individualised Assignments

    Science.gov (United States)

    Hamilton, Ian Robert

    2009-01-01

    Purpose: The purpose of this paper is to report on the rationale behind the use of a unique paper-based individualised accounting assignment, which automated the provision to students of immediate formative and timely summative feedback. Design/methodology/approach: As students worked towards completing their assignment, the package provided…

  5. submission of art studio-based assignments: students experience

    African Journals Online (AJOL)

    PUBLICATIONS1

    are reluctant to complete their studio assignments on time are critically ... tative and qualitative data, derived from survey and interviews were used to ... is therefore exploratory and studio based. It ... mogenous group of students who report pro- ... Assignment management .... The analyses in this study are based on data.

  6. 13 CFR 500.210 - Assignment or transfer of loans.

    Science.gov (United States)

    2010-01-01

    ... has the effect of distributing the risks of the credit among other Lenders if: (i) Neither the loan... be modified, assigned, conveyed, sold or otherwise transferred by the Lender, in whole or in part... assignment or transfer of less than 100 percent of a Lender's interest in the Loan Documents and Guarantee...

  7. Designing Internet research assignments: building a framework for instructor collaboration

    Directory of Open Access Journals (Sweden)

    David Ward

    2000-01-01

    Full Text Available Internet knowledge is increasing steadily among instructors in the academic world. As courses incorporate more instructional technology, traditional undergraduate research assignments are adapting to reflect the changing world of information and information access. New library assignments reflect this shift as well, with term papers and research projects asking students to use Web sites as an information resource, in addition to the standard literature of periodicals and monographs. But the many pitfalls the library profession has learned in its own metamorphosis during the past decade are often repeated in these newer course assignments. The authors in this paper present a framework for librarians to interact with instructors to incorporate Internet resources into traditional term paper and research assignments. They suggest a framework for creating sample assignments librarians can take to campus instructional units, to show the teaching community at large what the library profession has learned from first-hand experience.

  8. GENERAL ISSUES CONCERNING THE ASSIGNMENT OF SOCIAL PARTS

    Directory of Open Access Journals (Sweden)

    Stela Mihăilescu

    2012-11-01

    Full Text Available By means of the present study, we try to offer a thorough image and an analysis concerning the assignment mode of social parts within a company having limited liability. The assignment of social parts is free and unrestricted except for the cases provided by article 202, paragraph 2 from Law no. 31/ 1990- the law of commercial companies with further modifications and completions and the ones provided in OUG no. 54/ 2010 concerning some measures for fighting fiscal evasion. By means of the assignment operation a transmission is made up by an assignment of social parts contract towards one or more already associated persons in the company or towards other individual or legal persons who are going to obtain the associate quality. The principle governing any assignment is the one of goods circulation freedom, a freedom restricted only by the public order and imperative judicial norms.

  9. Main-chain-directed strategy for the assignment of 1H NMR spectra of proteins

    International Nuclear Information System (INIS)

    Englander, S.W.; Wand, A.J.

    1987-01-01

    A strategy for assigning the resonances in two-dimensional (2D) NMR spectra of proteins is described. The method emphasizes the analysis of through-space relationships between protons by use of the two-dimensional nuclear Overhauser effect (NOE) experiment. NOE patterns used in the algorithm were derived from a statistical analysis of the combinations of short proton-proton distances observed in the high-resolution crystal structures of 21 proteins. One starts with a search for authentic main-chain NH-C/sub α/H-C/sub β/H J-coupled units, which can be found with high reliability. The many main-chain units of a protein are then placed in their proper juxtaposition by recognition of predefined NOE connectivity patterns. To discover these connectivities, the 2D NOE spectrum is examined, in a prescribed order, for the distinct NOE patterns characteristic of helices, sheets, turns, and extended chain. Finally, the recognition of a few amino acid side-chain types places the discovered secondary structure elements within the polypeptide sequences. Unlike the sequential assignment approach, the main-chain-directed strategy does not rely on the difficult task of recognizing many side-chain spin systems in J-correlated spectra, the assignment process is not in general sequential with the polypeptide chain, and the prescribed connectivity patterns are cyclic rather than linear. The latter characteristic avoids ambiguous branch points in the analysis and imposed an internally confirmatory property on each forward step

  10. MetaboID: a graphical user interface package for assignment of 1H NMR spectra of bodyfluids and tissues.

    Science.gov (United States)

    MacKinnon, Neil; Somashekar, Bagganahalli S; Tripathi, Pratima; Ge, Wencheng; Rajendiran, Thekkelnaycke M; Chinnaiyan, Arul M; Ramamoorthy, Ayyalusamy

    2013-01-01

    Nuclear magnetic resonance based measurements of small molecule mixtures continues to be confronted with the challenge of spectral assignment. While multi-dimensional experiments are capable of addressing this challenge, the imposed time constraint becomes prohibitive, particularly with the large sample sets commonly encountered in metabolomic studies. Thus, one-dimensional spectral assignment is routinely performed, guided by two-dimensional experiments on a selected sample subset; however, a publicly available graphical interface for aiding in this process is currently unavailable. We have collected spectral information for 360 unique compounds from publicly available databases including chemical shift lists and authentic full resolution spectra, supplemented with spectral information for 25 compounds collected in-house at a proton NMR frequency of 900 MHz. This library serves as the basis for MetaboID, a Matlab-based user interface designed to aid in the one-dimensional spectral assignment process. The tools of MetaboID were built to guide resonance assignment in order of increasing confidence, starting from cursory compound searches based on chemical shift positions to analysis of authentic spike experiments. Together, these tools streamline the often repetitive task of spectral assignment. The overarching goal of the integrated toolbox of MetaboID is to centralize the one dimensional spectral assignment process, from providing access to large chemical shift libraries to providing a straightforward, intuitive means of spectral comparison. Such a toolbox is expected to be attractive to both experienced and new metabolomic researchers as well as general complex mixture analysts. Copyright © 2012 Elsevier Inc. All rights reserved.

  11. A NOVEL APPROACH TO MEASURE THE CROSS SECTION OF THE O-18(p, alpha)N-15 RESONANT REACTION IN THE 0-200 keV ENERGY RANGE

    Czech Academy of Sciences Publication Activity Database

    La Cognata, M.; Spitaleri, C.; Mukhamedzhanov, A. M.; Banu, A.; Cherubini, S.; Coc, A.; Crucilla, V.; Goldberg, V.; Gulino, M.; Irgaziev, B.; Kiss, G. G.; Lamia, L.; Mrázek, Jaromír; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Tabacaru, G.; Trache, L.; Tribble, R. E.; Trzaska, W.; Tumino, A.

    2010-01-01

    Roč. 708, č. 1 (2010), s. 796-811 ISSN 0004-637X Institutional research plan: CEZ:AV0Z10480505 Keywords : nuclear reactions * nucleosynthesis * abundances Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 7.436, year: 2010

  12. Heuristic for Task-Worker Assignment with Varying Learning Slopes

    Directory of Open Access Journals (Sweden)

    Wipawee Tharmmaphornphilas

    2010-04-01

    Full Text Available Fashion industry has variety products, so the multi-skilled workers are required to improve flexibility in production and assignment. Generally the supervisor will assign task to the workers based on skill and skill levels of worker. Since in fashion industry new product styles are launched more frequently and the order size tends to be smaller, the workers always learn when the raw material and the production process changes. Consequently they require less time to produce the succeeding units of a task based on their learning ability. Since the workers have both experience and inexperience workers, so each worker has different skill level and learning ability. Consequently, the assignment which assumed constant skill level is not proper to use. This paper proposes a task-worker assignment considering worker skill levels and learning abilities. Processing time of each worker changes along production period due to a worker learning ability. We focus on a task-worker assignment in a fashion industry where tasks are ordered in series; the number of tasks is greater than the number of workers. Therefore, workers can perform multiple assignments followed the precedence restriction as an assembly line balancing problem. The problem is formulated in an integer linear programming model with objective to minimize makespan. A heuristic is proposed to determine the lower bound (LB and the upper bound (UB of the problem and the best assignment is determined. The performance of the heuristic method is tested by comparing quality of solution and computational time to optimal solutions.

  13. Staff assignment practices in nursing homes: review of the literature.

    Science.gov (United States)

    Rahman, Anna; Straker, Jane K; Manning, Lydia

    2009-01-01

    Consistent assignment, whereby nursing home staff members, particularly certified nurse aides, are assigned to the same residents on most shifts, is increasingly viewed as a cornerstone of culture change in nursing homes. It has been advocated as a best-care model that increases residents' quality of life while contributing to a more stable frontline staff. Given these potential benefits, consistent assignment is now widely viewed as superior to rotating assignment, an alternative staffing model that aims to distribute care burden more fairly among staff and ensure that workers are familiar with most residents. Despite favorable anecdotal reports about the benefits of consistent assignment, the research literature reports mixed and sometimes contradictory findings for this staffing practice. This article reviews the research pertaining to staff assignment practices in nursing homes. Reviewed here are 13 reports on experimental trials (6 reports), evaluation research (4 reports), and nursing home surveys (3 reports). The review reveals broad diversity in staffing practices and raises questions that challenge popular assumptions about consistent assignment. The article closes with a discussion of the research, policy, and practice implications of the research findings.

  14. Electroexcitation of giant resonances in 181Ta

    International Nuclear Information System (INIS)

    Hicks, R.S.; Auer, I.P.; Bergstrom, J.C.; Caplan, H.S.

    1977-01-01

    The giant resonance region of 181 Ta has been investigated by means of inelastic electron scattering with primary electron energies of 79.1 to 118.3 MeV. A peak-fitting procedure was employed to separate the measured spectrum into nine different resonance components. Multipolarity and strength assignments were deduced using DWBA analysis with the Goldhaber-Teller and Steinwedel-Jensen models. In addition to the well-known giant dipole structure, other resonances were identified at 23.2+-0.3 MeV (E2), 9.5+-0.2 and 11.5+-0.2 MeV (E2 or E0), 19.5+-0.8 MeV (E3), 3.70+-0.14 MeV (E3 or E4), and 5.40+-0.15 MeV (E4 or E5). The model dependence of the analysis is discussed. (Auth.)

  15. Two-dimensional nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Bax, A.; Lerner, L.

    1986-01-01

    Great spectral simplification can be obtained by spreading the conventional one-dimensional nuclear magnetic resonance (NMR) spectrum in two independent frequency dimensions. This so-called two-dimensional NMR spectroscopy removes spectral overlap, facilitates spectral assignment, and provides a wealth of additional information. For example, conformational information related to interproton distances is available from resonance intensities in certain types of two-dimensional experiments. Another method generates 1 H NMR spectra of a preselected fragment of the molecule, suppressing resonances from other regions and greatly simplifying spectral appearance. Two-dimensional NMR spectroscopy can also be applied to the study of 13 C and 15 N, not only providing valuable connectivity information but also improving sensitivity of 13 C and 15 N detection by up to two orders of magnitude. 45 references, 10 figures

  16. Assigning breed origin to alleles in crossbred animals.

    Science.gov (United States)

    Vandenplas, Jérémie; Calus, Mario P L; Sevillano, Claudia A; Windig, Jack J; Bastiaansen, John W M

    2016-08-22

    For some species, animal production systems are based on the use of crossbreeding to take advantage of the increased performance of crossbred compared to purebred animals. Effects of single nucleotide polymorphisms (SNPs) may differ between purebred and crossbred animals for several reasons: (1) differences in linkage disequilibrium between SNP alleles and a quantitative trait locus; (2) differences in genetic backgrounds (e.g., dominance and epistatic interactions); and (3) differences in environmental conditions, which result in genotype-by-environment interactions. Thus, SNP effects may be breed-specific, which has led to the development of genomic evaluations for crossbred performance that take such effects into account. However, to estimate breed-specific effects, it is necessary to know breed origin of alleles in crossbred animals. Therefore, our aim was to develop an approach for assigning breed origin to alleles of crossbred animals (termed BOA) without information on pedigree and to study its accuracy by considering various factors, including distance between breeds. The BOA approach consists of: (1) phasing genotypes of purebred and crossbred animals; (2) assigning breed origin to phased haplotypes; and (3) assigning breed origin to alleles of crossbred animals based on a library of assigned haplotypes, the breed composition of crossbred animals, and their SNP genotypes. The accuracy of allele assignments was determined for simulated datasets that include crosses between closely-related, distantly-related and unrelated breeds. Across these scenarios, the percentage of alleles of a crossbred animal that were correctly assigned to their breed origin was greater than 90 %, and increased with increasing distance between breeds, while the percentage of incorrectly assigned alleles was always less than 2 %. For the remaining alleles, i.e. 0 to 10 % of all alleles of a crossbred animal, breed origin could not be assigned. The BOA approach accurately assigns

  17. Incorporating breeding abundance into spatial assignments on continuous surfaces.

    Science.gov (United States)

    Rushing, Clark S; Marra, Peter P; Studds, Colin E

    2017-06-01

    Determining the geographic connections between breeding and nonbreeding populations, termed migratory connectivity, is critical to advancing our understanding of the ecology and conservation of migratory species. Assignment models based on stable isotopes historically have been an important tool for studying migratory connectivity of small-bodied species, but the low resolution of these assignments has generated interest into combining isotopes with other sources in information. Abundance is one of the most appealing data sources to include in isotope-based assignments, but there are currently no statistical methods or guidelines for optimizing the contribution of stable isotopes and abundance for inferring migratory connectivity. Using known-origin stable-hydrogen isotope samples of six Neotropical migratory bird species, we rigorously assessed the performance of assignment models that differentially weight the contribution of the isotope and abundance data. For two species with adequate sample sizes, we used Pareto optimality to determine the set of models that simultaneously minimized both assignment error rate and assignment area. We then assessed the ability of the top models from these two species to improve assignments of the remaining four species compared to assignments based on isotopes alone. We show that the increased precision of models that include abundance is often offset by a large increase in assignment error. However, models that optimally weigh the abundance data relative to the isotope data can result in higher precision and, in some cases, lower error than models based on isotopes alone. The top models, however, depended on the distribution of relative breeding abundance, with patchier distributions requiring stronger downweighting of abundance, and we present general guidelines for future studies. These results confirm that breeding abundance can be an important source of information for studies investigating broad-scale movements of

  18. Sequence-specific 1H-NMR assignments for the aromatic region of several biologically active, monomeric insulins including native human insulin.

    Science.gov (United States)

    Roy, M; Lee, R W; Kaarsholm, N C; Thøgersen, H; Brange, J; Dunn, M F

    1990-06-12

    The aromatic region of the 1H-FT-NMR spectrum of the biologically fully-potent, monomeric human insulin mutant, B9 Ser----Asp, B27 Thr----Glu has been investigated in D2O. At 1 to 5 mM concentrations, this mutant insulin is monomeric above pH 7.5. Coupling and amino acid classification of all aromatic signals is established via a combination of homonuclear one- and two-dimensional methods, including COSY, multiple quantum filters, selective spin decoupling and pH titrations. By comparisons with other insulin mutants and with chemically modified native insulins, all resonances in the aromatic region are given sequence-specific assignments without any reliance on the various crystal structures reported for insulin. These comparisons also give the sequence-specific assignments of most of the aromatic resonances of the mutant insulins B16 Tyr----Glu, B27 Thr----Glu and B25 Phe----Asp and the chemically modified species des-(B23-B30) insulin and monoiodo-Tyr A14 insulin. Chemical dispersion of the assigned resonances, ring current perturbations and comparisons at high pH have made possible the assignment of the aromatic resonances of human insulin, and these studies indicate that the major structural features of the human insulin monomer (including those critical to biological function) are also present in the monomeric mutant.

  19. Calibrated peer review assignments for the earth sciences

    Science.gov (United States)

    Rudd, J.A.; Wang, V.Z.; Cervato, C.; Ridky, R.W.

    2009-01-01

    Calibrated Peer Review ??? (CPR), a web-based instructional tool developed as part of the National Science Foundation reform initiatives in undergraduate science education, allows instructors to incorporate multiple writing assignments in large courses without overwhelming the instructor. This study reports successful implementation of CPR in a large, introductory geology course and student learning of geoscience content. For each CPR assignment in this study, students studied web-based and paper resources, wrote an essay, and reviewed seven essays (three from the instructor, three from peers, and their own) on the topic. Although many students expressed negative attitudes and concerns, particularly about the peer review process of this innovative instructional approach, they also recognized the learning potential of completing CPR assignments. Comparing instruction on earthquakes and plate boundaries using a CPR assignment vs. an instructional video lecture and homework essay with extensive instructor feedback, students mastered more content via CPR instruction.

  20. Characterizing Sailor and Command Enlisted Placement and Assignment Preferences

    National Research Council Canada - National Science Library

    Butler, Virginia

    2002-01-01

    .... DON currently matches sailors to billets using a labor-intensive detailing process. With evolving information technology, the assignment process could be accomplished using intelligent agents and web-based markets...

  1. A Qualitative Analysis of the Turkish Gendarmerie Assignment Process

    National Research Council Canada - National Science Library

    Soylemez, Kadir

    2005-01-01

    ...; this number increases to 43 million (65% of the population) in the summer months. This study is an organizational analysis of the current assignment process of the Turkish General Command of the Gendarmerie...

  2. 46 CFR 42.05-10 - Assigning authority.

    Science.gov (United States)

    2010-10-01

    ... Definition of Terms Used in This Subchapter § 42.05-10 Assigning authority. This term means the “American Bureau of Shipping” or such other recognized classification society which the Commandant may approve as...

  3. ZAP: a distributed channel assignment algorithm for cognitive radio networks

    Directory of Open Access Journals (Sweden)

    Munaretto Anelise

    2011-01-01

    Full Text Available Abstract We propose ZAP, an algorithm for the distributed channel assignment in cognitive radio (CR networks. CRs are capable of identifying underutilized licensed bands of the spectrum, allowing their reuse by secondary users without interfering with primary users. In this context, efficient channel assignment is challenging as ideally it must be simple, incur acceptable communication overhead, provide timely response, and be adaptive to accommodate frequent changes in the network. Another challenge is the optimization of network capacity through interference minimization. In contrast to related work, ZAP addresses these challenges with a fully distributed approach based only on local (neighborhood knowledge, while significantly reducing computational costs and the number of messages required for channel assignment. Simulations confirm the efficiency of ZAP in terms of (i the performance tradeoff between different metrics and (ii the fast achievement of a suitable assignment solution regardless of network size and density.

  4. Dynamic Passenger Assignment during Disruptions in Railway Systems

    NARCIS (Netherlands)

    Zhu, Y.; Goverde, R.M.P.

    2017-01-01

    Passenger-oriented rescheduling problems receive increasing attention. However, the passenger assignment models used for evaluating the rescheduling solutions are usually simplified by many assumptions. To estimate passenger inconvenience more accurately, this paper establishes a dynamic passenger

  5. A singular value sensitivity approach to robust eigenstructure assignment

    DEFF Research Database (Denmark)

    Søgaard-Andersen, Per; Trostmann, Erik; Conrad, Finn

    1986-01-01

    A design technique for improving the feedback properties of multivariable state feedback systems designed using eigenstructure assignment is presented. Based on a singular value analysis of the feedback properties a design parameter adjustment procedure is outlined. This procedure allows...

  6. Subcarrier Group Assignment for MC-CDMA Wireless Networks

    Directory of Open Access Journals (Sweden)

    Le-Ngoc Tho

    2007-01-01

    Full Text Available Two interference-based subcarrier group assignment strategies in dynamic resource allocation are proposed for MC-CDMA wireless systems to achieve high throughput in a multicell environment. Least interfered group assignment (LIGA selects for each session the subcarrier group on which the user receives the minimum interference, while best channel ratio group assignment (BCRGA chooses the subcarrier group with the largest channel response-to-interference ratio. Both analytical framework and simulation model are developed for evaluation of throughput distribution of the proposed schemes. An iterative approach is devised to handle the complex interdependency between multicell interference profiles in the throughput analysis. Illustrative results show significant throughput improvement offered by the interference-based assignment schemes for MC-CDMA multicell wireless systems. In particular, under low loading conditions, LIGA renders the best performance. However, as the load increases BCRGA tends to offer superior performance.

  7. Subcarrier Group Assignment for MC-CDMA Wireless Networks

    Directory of Open Access Journals (Sweden)

    Tho Le-Ngoc

    2007-12-01

    Full Text Available Two interference-based subcarrier group assignment strategies in dynamic resource allocation are proposed for MC-CDMA wireless systems to achieve high throughput in a multicell environment. Least interfered group assignment (LIGA selects for each session the subcarrier group on which the user receives the minimum interference, while best channel ratio group assignment (BCRGA chooses the subcarrier group with the largest channel response-to-interference ratio. Both analytical framework and simulation model are developed for evaluation of throughput distribution of the proposed schemes. An iterative approach is devised to handle the complex interdependency between multicell interference profiles in the throughput analysis. Illustrative results show significant throughput improvement offered by the interference-based assignment schemes for MC-CDMA multicell wireless systems. In particular, under low loading conditions, LIGA renders the best performance. However, as the load increases BCRGA tends to offer superior performance.

  8. ZAP: a distributed channel assignment algorithm for cognitive radio networks

    OpenAIRE

    Junior , Paulo Roberto ,; Fonseca , Mauro; Munaretto , Anelise; Viana , Aline ,; Ziviani , Artur

    2011-01-01

    Abstract We propose ZAP, an algorithm for the distributed channel assignment in cognitive radio (CR) networks. CRs are capable of identifying underutilized licensed bands of the spectrum, allowing their reuse by secondary users without interfering with primary users. In this context, efficient channel assignment is challenging as ideally it must be simple, incur acceptable communication overhead, provide timely response, and be adaptive to accommodate frequent changes in the network. Another ...

  9. A parametric visualization software for the assignment problem

    Directory of Open Access Journals (Sweden)

    Papamanthou Charalampos

    2005-01-01

    Full Text Available In this paper we present a parametric visualization software used to assist the teaching of the Network Primal Simplex Algorithm for the assignment problem (AP. The assignment problem is a special case of the balanced transportation problem. The main functions of the algorithm and design techniques are also presented. Through this process, we aim to underline the importance and necessity of using such educational methods in order to improve the teaching of Computer Algorithms.

  10. A demand assignment control in international business satellite communications network

    Science.gov (United States)

    Nohara, Mitsuo; Takeuchi, Yoshio; Takahata, Fumio; Hirata, Yasuo

    An experimental system is being developed for use in an international business satellite (IBS) communications network based on demand-assignment (DA) and TDMA techniques. This paper discusses its system design, in particular from the viewpoints of a network configuration, a DA control, and a satellite channel-assignment algorithm. A satellite channel configuration is also presented along with a tradeoff study on transmission rate, HPA output power, satellite resource efficiency, service quality, and so on.

  11. Interactive visual exploration and refinement of cluster assignments.

    Science.gov (United States)

    Kern, Michael; Lex, Alexander; Gehlenborg, Nils; Johnson, Chris R

    2017-09-12

    With ever-increasing amounts of data produced in biology research, scientists are in need of efficient data analysis methods. Cluster analysis, combined with visualization of the results, is one such method that can be used to make sense of large data volumes. At the same time, cluster analysis is known to be imperfect and depends on the choice of algorithms, parameters, and distance measures. Most clustering algorithms don't properly account for ambiguity in the source data, as records are often assigned to discrete clusters, even if an assignment is unclear. While there are metrics and visualization techniques that allow analysts to compare clusterings or to judge cluster quality, there is no comprehensive method that allows analysts to evaluate, compare, and refine cluster assignments based on the source data, derived scores, and contextual data. In this paper, we introduce a method that explicitly visualizes the quality of cluster assignments, allows comparisons of clustering results and enables analysts to manually curate and refine cluster assignments. Our methods are applicable to matrix data clustered with partitional, hierarchical, and fuzzy clustering algorithms. Furthermore, we enable analysts to explore clustering results in context of other data, for example, to observe whether a clustering of genomic data results in a meaningful differentiation in phenotypes. Our methods are integrated into Caleydo StratomeX, a popular, web-based, disease subtype analysis tool. We show in a usage scenario that our approach can reveal ambiguities in cluster assignments and produce improved clusterings that better differentiate genotypes and phenotypes.

  12. PARETO OPTIMAL SOLUTIONS FOR MULTI-OBJECTIVE GENERALIZED ASSIGNMENT PROBLEM

    Directory of Open Access Journals (Sweden)

    S. Prakash

    2012-01-01

    Full Text Available

    ENGLISH ABSTRACT: The Multi-Objective Generalized Assignment Problem (MGAP with two objectives, where one objective is linear and the other one is non-linear, has been considered, with the constraints that a job is assigned to only one worker – though he may be assigned more than one job, depending upon the time available to him. An algorithm is proposed to find the set of Pareto optimal solutions of the problem, determining assignments of jobs to workers with two objectives without setting priorities for them. The two objectives are to minimise the total cost of the assignment and to reduce the time taken to complete all the jobs.

    AFRIKAANSE OPSOMMING: ‘n Multi-doelwit veralgemeende toekenningsprobleem (“multi-objective generalised assignment problem – MGAP” met twee doelwitte, waar die een lineêr en die ander nielineêr is nie, word bestudeer, met die randvoorwaarde dat ‘n taak slegs toegedeel word aan een werker – alhoewel meer as een taak aan hom toegedeel kan word sou die tyd beskikbaar wees. ‘n Algoritme word voorgestel om die stel Pareto-optimale oplossings te vind wat die taaktoedelings aan werkers onderhewig aan die twee doelwitte doen sonder dat prioriteite toegeken word. Die twee doelwitte is om die totale koste van die opdrag te minimiseer en om die tyd te verminder om al die take te voltooi.

  13. Photoemission study of Kr 3d→np autoionization resonances

    International Nuclear Information System (INIS)

    Lindle, D.W.; Heimann, P.A.; Ferrett, T.A.; Piancastelli, M.N.; Shirley, D.A.

    1987-01-01

    Resonant photoelectron spectra of Kr have been taken in the photon-energy ranges of the 3d/sub 5/2/→5p,6p and 3d/sub 3/2/→5p excitations. The spectra, which closely resemble normal Kr + 3d/sup -1/ Auger spectra, illustrate the importance of ''spectator'' Auger-like decay for inner-shell resonances, in which the initially excited electron does not participate in the core-hole deexcitation process, except to respond to the change in the atomic potential. Possible assignments for some of the spectator decay channels are discussed based on photoemission intensity measurements at the different 3d resonances. These assignments suggest that shake-up (e.g., 5p→6p) of the ''spectator'' electron during the decay process is not quite as important as previously suspected. The resonance profiles of some of the more intense satellites have been determined over the 3d→np resonances. Very small resonance effects also were observed in the partial cross section for 4p subshell ionization, which produced asymmetric Fano-type profiles. The 4p angular distribution, in contrast, exhibits a pronounced effect in the resonance energy range. The 4p results demonstrate that nonspectator autoionization also is present

  14. Crossing simple resonances

    International Nuclear Information System (INIS)

    Collins, T.

    1985-08-01

    A simple criterion governs the beam distortion and/or loss of protons on a fast resonance crossing. Results from numerical integrations are illustrated for simple sextupole, octupole, and 10-pole resonances

  15. Acoustic Fano resonators

    KAUST Repository

    Amin, Muhammad; Farhat, Mohamed; Bagci, Hakan

    2014-01-01

    The resonances with asymmetric Fano line-shapes were originally discovered in the context of quantum mechanics (U. Fano, Phys. Rev., 124, 1866-1878, 1961). Quantum Fano resonances were generated from destructive interference of a discrete state

  16. Neutron resonance averaging

    International Nuclear Information System (INIS)

    Chrien, R.E.

    1986-10-01

    The principles of resonance averaging as applied to neutron capture reactions are described. Several illustrations of resonance averaging to problems of nuclear structure and the distribution of radiative strength in nuclei are provided. 30 refs., 12 figs

  17. Crossing simple resonances

    Energy Technology Data Exchange (ETDEWEB)

    Collins, T.

    1985-08-01

    A simple criterion governs the beam distortion and/or loss of protons on a fast resonance crossing. Results from numerical integrations are illustrated for simple sextupole, octupole, and 10-pole resonances.

  18. Pediatric magnetic resonance imaging

    International Nuclear Information System (INIS)

    Cohen, M.D.

    1986-01-01

    This book defines the current clinical potential of magnetic resonance imaging and focuses on direct clinical work with pediatric patients. A section dealing with the physics of magnetic resonance imaging provides an introduction to enable clinicians to utilize the machine and interpret the images. Magnetic resonance imaging is presented as an appropriate imaging modality for pediatric patients utilizing no radiation

  19. Resonant thermonuclear reaction rate

    International Nuclear Information System (INIS)

    Haubold, H.J.; Mathai, A.M.

    1986-01-01

    Basic physical principles for the resonant and nonresonant thermonuclear reaction rates are applied to find their standard representations for nuclear astrophysics. Closed-form representations for the resonant reaction rate are derived in terms of Meijer's G-function. Analytic representations of the resonant and nonresonant nuclear reaction rates are compared and the appearance of Meijer's G-function is discussed in physical terms

  20. Magnetic resonance spectroscopy: clinical application in neuroradiology

    International Nuclear Information System (INIS)

    Penev, L.

    2012-01-01

    Full text: Magnetic Resonance Spectroscopy (MRS) provides a non-invasive method of studying metabolism in vivo. Magnetic resonance spectroscopy (MRS) defines neuro chemistry on a regional basis by acquiring a radiofrequency signal with chemical shift from one or many voxels or volumes previously selected on MRI. The tissue's chemical environment determines the frequency of a metabolite peak in an MRS spectrum. Candidates for MRS include: 1 H, 31 P, 13 C, 23 Na, 7 Li, 19 F, 14 N, 15 N, 17 O, 39 K The most commonly studied nuclei are 1 H and 31 P. This lecture is focused on Proton ( 1 H) Spectroscopy. Proton MRS can be added on to conventional MR imaging protocols. It can be used to serially monitor biochemical changes in tumors, stroke, epilepsy, metabolic disorders, infections, and neurodegenerative diseases.The MR spectra do not come labeled with diagnoses. They require interpretation and should always be correlated with the MR images before making a final diagnosis. As a general rule, the single voxel, short TE technique is used to make the initial diagnosis, because the signal-to-noise is high and all metabolites are represented. Multi-voxel, long TE techniques are used to further characterize different regions of a mass and to assess brain parenchyma around or adjacent to the mass. Multi-voxel, long TE techniques are also used to assess response to therapy and to search for tumor recurrence. Each metabolite appears at a specific ppm, and each one reflects specific cellular and biochemical processes

  1. Socially-assigned race, healthcare discrimination and preventive healthcare services.

    Directory of Open Access Journals (Sweden)

    Tracy Macintosh

    Full Text Available Race and ethnicity, typically defined as how individuals self-identify, are complex social constructs. Self-identified racial/ethnic minorities are less likely to receive preventive care and more likely to report healthcare discrimination than self-identified non-Hispanic whites. However, beyond self-identification, these outcomes may vary depending on whether racial/ethnic minorities are perceived by others as being minority or white; this perception is referred to as socially-assigned race.To examine the associations between socially-assigned race and healthcare discrimination and receipt of selected preventive services.Cross-sectional analysis of the 2004 Behavioral Risk Factor Surveillance System "Reactions to Race" module. Respondents from seven states and the District of Columbia were categorized into 3 groups, defined by a composite of self-identified race/socially-assigned race: Minority/Minority (M/M, n = 6,837, Minority/White (M/W, n = 929, and White/White (W/W, n = 25,913. Respondents were 18 years or older, with 61.7% under age 60; 51.8% of respondents were female. Measures included reported healthcare discrimination and receipt of vaccinations and cancer screenings.Racial/ethnic minorities who reported being socially-assigned as minority (M/M were more likely to report healthcare discrimination compared with those who reported being socially-assigned as white (M/W (8.9% vs. 5.0%, p = 0.002. Those reporting being socially-assigned as white (M/W and W/W had similar rates for past-year influenza (73.1% vs. 74.3% and pneumococcal (69.3% vs. 58.6% vaccinations; however, rates were significantly lower among M/M respondents (56.2% and 47.6%, respectively, p-values<0.05. There were no significant differences between the M/M and M/W groups in the receipt of cancer screenings.Racial/ethnic minorities who reported being socially-assigned as white are more likely to receive preventive vaccinations and less likely to report

  2. Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts

    International Nuclear Information System (INIS)

    Pan, Yun-Zu; Quade, Bradley; Brewer, Kyle D.; Szabo, Monika; Swarbrick, James D.; Graham, Bim; Rizo, Josep

    2016-01-01

    Neurotransmitter release depends critically on the neuronal SNARE complex formed by syntaxin-1, SNAP-25 and synaptobrevin, as well as on other proteins such as Munc18-1, Munc13-1 and synaptotagmin-1. Although three-dimensional structures are available for these components, it is still unclear how they are assembled between the synaptic vesicle and plasma membranes to trigger fast, Ca 2+ -dependent membrane fusion. Methyl TROSY NMR experiments provide a powerful tool to study complexes between these proteins, but assignment of the methyl groups of the SNARE complex is hindered by its limited solubility. Here we report the assignment of the isoleucine, leucine, methionine and valine methyl groups of the four SNARE motifs of syntaxin-1, SNAP-25 and synaptobrevin within the SNARE complex based solely on measurements of lanthanide-induced pseudocontact shifts. Our results illustrate the power of this approach to assign protein resonances without the need of triple resonance experiments and provide an invaluable tool for future structural studies of how the SNARE complex binds to other components of the release machinery.

  3. Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Yun-Zu; Quade, Bradley; Brewer, Kyle D. [University of Texas Southwestern Medical Center, Department of Biophysics (United States); Szabo, Monika; Swarbrick, James D.; Graham, Bim [Monash Institute of Pharmaceutical Sciences, Monash University (Australia); Rizo, Josep, E-mail: Jose.Rizo-Rey@UTSouthwestern.edu [University of Texas Southwestern Medical Center, Department of Biophysics (United States)

    2016-12-15

    Neurotransmitter release depends critically on the neuronal SNARE complex formed by syntaxin-1, SNAP-25 and synaptobrevin, as well as on other proteins such as Munc18-1, Munc13-1 and synaptotagmin-1. Although three-dimensional structures are available for these components, it is still unclear how they are assembled between the synaptic vesicle and plasma membranes to trigger fast, Ca{sup 2+}-dependent membrane fusion. Methyl TROSY NMR experiments provide a powerful tool to study complexes between these proteins, but assignment of the methyl groups of the SNARE complex is hindered by its limited solubility. Here we report the assignment of the isoleucine, leucine, methionine and valine methyl groups of the four SNARE motifs of syntaxin-1, SNAP-25 and synaptobrevin within the SNARE complex based solely on measurements of lanthanide-induced pseudocontact shifts. Our results illustrate the power of this approach to assign protein resonances without the need of triple resonance experiments and provide an invaluable tool for future structural studies of how the SNARE complex binds to other components of the release machinery.

  4. Triage level assignment and nurse characteristics and experience.

    Science.gov (United States)

    Gómez-Angelats, Elisenda; Miró, Òscar; Bragulat Baur, Ernesto; Antolín Santaliestra, Alberto; Sánchez Sánchez, Miquel

    2018-06-01

    To study the relation between nursing staff demographics and experience and their assignment of triage level in the emergency department. One-year retrospective observational study in the triage area of a tertiary care urban university hospital that applies the Andorran-Spanish triage model. Variables studied were age, gender, nursing experience, triage experience, shift, usual level of emergency work the nurse undertakes, number of triage decisions made, and percentage of patients assigned to each level. Fifty nurses (5 men, 45 women) with a mean (SD) age of 45 (9) years triaged 67 803 patients during the year. Nurses classified more patients in level 5 on the morning shift (7.9%) than on the afternoon shift (5.5%) (P=.003). The difference in the rate of level-5 triage classification became significant when nurses were older (β = 0.092, P=.037) and experience was greater (β = 0.103, P=.017). The number of triages recorded by a nurse was significantly and directly related to the percentage of patients assigned to level 3 (β = 0.003, P=.006) and inversely related to the percentages assigned to level 4 (β = -0.002, P=.008) and level 5 (β = -0.001, P=.017). We found that triage level assignments were related to age, experience, shift, and total number of patients triaged by a nurse.

  5. Wildlife forensic science: A review of genetic geographic origin assignment.

    Science.gov (United States)

    Ogden, Rob; Linacre, Adrian

    2015-09-01

    Wildlife forensic science has become a key means of enforcing legislation surrounding the illegal trade in protected and endangered species. A relatively new dimension to this area of forensic science is to determine the geographic origin of a seized sample. This review focuses on DNA testing, which relies on assignment of an unknown sample to its genetic population of origin. Key examples of this are the trade in timber, fish and ivory and these are used only to illustrate the large number of species for which this type of testing is potentially available. The role of mitochondrial and nuclear DNA markers is discussed, alongside a comparison of neutral markers with those exhibiting signatures of selection, which potentially offer much higher levels of assignment power to address specific questions. A review of assignment tests is presented along with detailed methods for evaluating error rates and considerations for marker selection. The availability and quality of reference data are of paramount importance to support assignment applications and ensure reliability of any conclusions drawn. The genetic methods discussed have been developed initially as investigative tools but comment is made regarding their use in courts. The potential to compliment DNA markers with elemental assays for greater assignment power is considered and finally recommendations are made for the future of this type of testing. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  6. Reflective practice: assessment of assignments in English for Specific Purposes

    Directory of Open Access Journals (Sweden)

    Galina Kavaliauskiené

    2007-10-01

    Full Text Available The construct alternative assessment has been widely used in higher education. It is often defined as any type of assessment of learners who provide a response to an assignment. The key features of alternative assessment are active participation of learners in self-evaluation of their performance, and the development of reflective thinking through reflective thinking (Schön, 1983. The success of alternative assessment in language teaching is predetermined by student’s performance and demonstrates learner’s language proficiency in contemporary communicative classrooms. This paper aims at researching the influence of students’ evaluations of various assignments for their linguistic development in English for Specific Purposes (ESP. The study uses learners’ assessment of different assignments and learners’ in-course and post-course written reflections on benefits to language mastery. Learners’ assignments included were contributions to portfolios (dossiers, such as essays and summaries, oral presentations, short impromptu talks, creative tasks, tests, and self-assessment notes (reflections on activities in learning ESP. Findings were obtained for two streams of the project participants. Results showed that self-assessment was beneficial for learners’ linguistic development. The context of learners’ reflections reveals that the attitudes to various assignments are affected by success or failure in students’ performance. Reflective practice might help teachers develop ways of dealing with previously identified difficulties and improve the quality of teaching.

  7. Visual words assignment via information-theoretic manifold embedding.

    Science.gov (United States)

    Deng, Yue; Li, Yipeng; Qian, Yanjun; Ji, Xiangyang; Dai, Qionghai

    2014-10-01

    Codebook-based learning provides a flexible way to extract the contents of an image in a data-driven manner for visual recognition. One central task in such frameworks is codeword assignment, which allocates local image descriptors to the most similar codewords in the dictionary to generate histogram for categorization. Nevertheless, existing assignment approaches, e.g., nearest neighbors strategy (hard assignment) and Gaussian similarity (soft assignment), suffer from two problems: 1) too strong Euclidean assumption and 2) neglecting the label information of the local descriptors. To address the aforementioned two challenges, we propose a graph assignment method with maximal mutual information (GAMI) regularization. GAMI takes the power of manifold structure to better reveal the relationship of massive number of local features by nonlinear graph metric. Meanwhile, the mutual information of descriptor-label pairs is ultimately optimized in the embedding space for the sake of enhancing the discriminant property of the selected codewords. According to such objective, two optimization models, i.e., inexact-GAMI and exact-GAMI, are respectively proposed in this paper. The inexact model can be efficiently solved with a closed-from solution. The stricter exact-GAMI nonparametrically estimates the entropy of descriptor-label pairs in the embedding space and thus leads to a relatively complicated but still trackable optimization. The effectiveness of GAMI models are verified on both the public and our own datasets.

  8. Detailed {sup 1}H and {sup 13}C NMR spectral data assignment for two dihydrobenzofuran neolignans

    Energy Technology Data Exchange (ETDEWEB)

    Medeiros, Talita C.T.; Dias, Herbert J.; Crotti, Antônio E.M., E-mail: millercrotti@ffclrp.usp.br [Universidade de São Paulo (USP), Ribeirão Preto, SP (Brazil). Faculdade de Filosofia, Ciências e Letras. Departamento de Química

    2016-07-01

    In this work we present a complete proton ({sup 1}H) and carbon 13 ({sup 13}C) nuclear magnetic resonance (NMR) spectral analysis of two synthetic dihydrofuran neolignans (±)-trans-dehydrodicoumarate dimethyl ester and (±)-trans-dehydrodiferulate dimethyl ester. Unequivocal assignments were achieved by 1 H NMR, proton decoupled {sup 13}C ({sup 13}C{"1H}) NMR spectra, gradient-selected correlation spectroscopy (gCOSY), J-resolved, gradient-selected heteronuclear multiple quantum coherence (gHMQC), gradient-selected heteronuclear multiple bond coherence (gHMBC) and nuclear Overhauser effect spectroscopy (NOESY) experiments. All hydrogen coupling constants were measured, clarifying all the hydrogen signals multiplicities. Computational methods were also used to simulate the {sup 1}H and {sup 13}C chemical shifts and showed good agreement with the trans configuration of the substituents at C{sub 7} and C{sub 8}. (author)

  9. Detailed 1H and 13C NMR spectral data assignment for two dihydrobenzofuran neolignans

    International Nuclear Information System (INIS)

    Medeiros, Talita C.T.; Dias, Herbert J.; Crotti, Antônio E.M.

    2016-01-01

    In this work we present a complete proton ( 1 H) and carbon 13 ( 13 C) nuclear magnetic resonance (NMR) spectral analysis of two synthetic dihydrofuran neolignans (±)-trans-dehydrodicoumarate dimethyl ester and (±)-trans-dehydrodiferulate dimethyl ester. Unequivocal assignments were achieved by 1 H NMR, proton decoupled 13 C ( 13 C{ 1 H}) NMR spectra, gradient-selected correlation spectroscopy (gCOSY), J-resolved, gradient-selected heteronuclear multiple quantum coherence (gHMQC), gradient-selected heteronuclear multiple bond coherence (gHMBC) and nuclear Overhauser effect spectroscopy (NOESY) experiments. All hydrogen coupling constants were measured, clarifying all the hydrogen signals multiplicities. Computational methods were also used to simulate the 1 H and 13 C chemical shifts and showed good agreement with the trans configuration of the substituents at C 7 and C 8 . (author)

  10. Quantum mechanical resonances

    International Nuclear Information System (INIS)

    Cisneros S, A.; McIntosh, H.V.

    1982-01-01

    A discussion of the nature of quantum mechanical resonances is presented from the point of view of the spectral theory of operators. In the case of Bohr-Feshbach resonances, graphs are presented to illustrate the theory showing the decay of a doubly excited metastable state and the excitation of the resonance by an incident particle with proper energy. A characterization of resonances is given as well as a procedure to determine widths using the spectral density function. A sufficient condition is given for the validity of the Breit-Wigner formula for Bohr-Feshbach resonances. (author)

  11. DNATCO: assignment of DNA conformers at dnatco.org.

    Science.gov (United States)

    Černý, Jiří; Božíková, Paulína; Schneider, Bohdan

    2016-07-08

    The web service DNATCO (dnatco.org) classifies local conformations of DNA molecules beyond their traditional sorting to A, B and Z DNA forms. DNATCO provides an interface to robust algorithms assigning conformation classes called NTC: to dinucleotides extracted from DNA-containing structures uploaded in PDB format version 3.1 or above. The assigned dinucleotide NTC: classes are further grouped into DNA structural alphabet NTA: , to the best of our knowledge the first DNA structural alphabet. The results are presented at two levels: in the form of user friendly visualization and analysis of the assignment, and in the form of a downloadable, more detailed table for further analysis offline. The website is free and open to all users and there is no login requirement. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  12. The Utility of Writing Assignments in Undergraduate Bioscience

    Science.gov (United States)

    Libarkin, Julie; Ording, Gabriel

    2012-01-01

    We tested the hypothesis that engagement in a few, brief writing assignments in a nonmajors science course can improve student ability to convey critical thought about science. A sample of three papers written by students (n = 30) was coded for presence and accuracy of elements related to scientific writing. Scores for different aspects of scientific writing were significantly correlated, suggesting that students recognized relationships between components of scientific thought. We found that students' ability to write about science topics and state conclusions based on data improved over the course of three writing assignments, while the abilities to state a hypothesis and draw clear connections between human activities and environmental impacts did not improve. Three writing assignments generated significant change in student ability to write scientifically, although our results suggest that three is an insufficient number to generate complete development of scientific writing skills. PMID:22383616

  13. Integrated project scheduling and staff assignment with controllable processing times.

    Science.gov (United States)

    Fernandez-Viagas, Victor; Framinan, Jose M

    2014-01-01

    This paper addresses a decision problem related to simultaneously scheduling the tasks in a project and assigning the staff to these tasks, taking into account that a task can be performed only by employees with certain skills, and that the length of each task depends on the number of employees assigned. This type of problems usually appears in service companies, where both tasks scheduling and staff assignment are closely related. An integer programming model for the problem is proposed, together with some extensions to cope with different situations. Additionally, the advantages of the controllable processing times approach are compared with the fixed processing times. Due to the complexity of the integrated model, a simple GRASP algorithm is implemented in order to obtain good, approximate solutions in short computation times.

  14. Integrated Project Scheduling and Staff Assignment with Controllable Processing Times

    Directory of Open Access Journals (Sweden)

    Victor Fernandez-Viagas

    2014-01-01

    Full Text Available This paper addresses a decision problem related to simultaneously scheduling the tasks in a project and assigning the staff to these tasks, taking into account that a task can be performed only by employees with certain skills, and that the length of each task depends on the number of employees assigned. This type of problems usually appears in service companies, where both tasks scheduling and staff assignment are closely related. An integer programming model for the problem is proposed, together with some extensions to cope with different situations. Additionally, the advantages of the controllable processing times approach are compared with the fixed processing times. Due to the complexity of the integrated model, a simple GRASP algorithm is implemented in order to obtain good, approximate solutions in short computation times.

  15. A search asymmetry reversed by figure-ground assignment.

    Science.gov (United States)

    Humphreys, G W; Müller, H

    2000-05-01

    We report evidence demonstrating that a search asymmetry favoring concave over convex targets can be reversed by altering the figure-ground assignment of edges in shapes. Visual search for a concave target among convex distractors is faster than search for a convex target among concave distractors (a search asymmetry). By using shapes with ambiguous local figure-ground relations, we demonstrated that search can be efficient (with search slopes around 10 ms/item) or inefficient (with search slopes around 30-40 ms/item) with the same stimuli, depending on whether edges are assigned to concave or convex "figures." This assignment process can operate in a top-down manner, according to the task set. The results suggest that attention is allocated to spatial regions following the computation of figure-ground relations in parallel across the elements present. This computation can also be modulated by top-down processes.

  16. Lower region: a new cue for figure-ground assignment.

    Science.gov (United States)

    Vecera, Shaun P; Vogel, Edward K; Woodman, Geoffrey F

    2002-06-01

    Figure-ground assignment is an important visual process; humans recognize, attend to, and act on figures, not backgrounds. There are many visual cues for figure-ground assignment. A new cue to figure-ground assignment, called lower region, is presented: Regions in the lower portion of a stimulus array appear more figurelike than regions in the upper portion of the display. This phenomenon was explored, and it was demonstrated that the lower-region preference is not influenced by contrast, eye movements, or voluntary spatial attention. It was found that the lower region is defined relative to the stimulus display, linking the lower-region preference to pictorial depth perception cues. The results are discussed in terms of the environmental regularities that this new figure-ground cue may reflect.

  17. A Stone Resource Assignment Model under the Fuzzy Environment

    Directory of Open Access Journals (Sweden)

    Liming Yao

    2012-01-01

    to tackle a stone resource assignment problem with the aim of decreasing dust and waste water emissions. On the upper level, the local government wants to assign a reasonable exploitation amount to each stone plant so as to minimize total emissions and maximize employment and economic profit. On the lower level, stone plants must reasonably assign stone resources to produce different stone products under the exploitation constraint. To deal with inherent uncertainties, the object functions and constraints are defuzzified using a possibility measure. A fuzzy simulation-based improved simulated annealing algorithm (FS-ISA is designed to search for the Pareto optimal solutions. Finally, a case study is presented to demonstrate the practicality and efficiency of the model. Results and a comparison analysis are presented to highlight the performance of the optimization method, which proves to be very efficient compared with other algorithms.

  18. Quality Control Test for Sequence-Phenotype Assignments

    Science.gov (United States)

    Ortiz, Maria Teresa Lara; Rosario, Pablo Benjamín Leon; Luna-Nevarez, Pablo; Gamez, Alba Savin; Martínez-del Campo, Ana; Del Rio, Gabriel

    2015-01-01

    Relating a gene mutation to a phenotype is a common task in different disciplines such as protein biochemistry. In this endeavour, it is common to find false relationships arising from mutations introduced by cells that may be depurated using a phenotypic assay; yet, such phenotypic assays may introduce additional false relationships arising from experimental errors. Here we introduce the use of high-throughput DNA sequencers and statistical analysis aimed to identify incorrect DNA sequence-phenotype assignments and observed that 10–20% of these false assignments are expected in large screenings aimed to identify critical residues for protein function. We further show that this level of incorrect DNA sequence-phenotype assignments may significantly alter our understanding about the structure-function relationship of proteins. We have made available an implementation of our method at http://bis.ifc.unam.mx/en/software/chispas. PMID:25700273

  19. The ICAP (Interactive Course Assignment Pages Publishing System

    Directory of Open Access Journals (Sweden)

    Kim Griggs

    2008-03-01

    Full Text Available The ICAP publishing system is an open source custom content management system that enables librarians to easily and quickly create and manage library help pages for course assignments (ICAPs, without requiring knowledge of HTML or other web technologies. The system's unique features include an emphasis on collaboration and content reuse and an easy-to-use interface that includes in-line help, simple forms and drag and drop functionality. The system generates dynamic, attractive course assignment pages that blend Web 2.0 features with traditional library resources, and makes the pages easier to find by providing a central web page for the course assignment pages. As of December 2007, the code is available as free, open-source software under the GNU General Public License.

  20. Assignment of stock keeping units to parallel undirectional picking

    Directory of Open Access Journals (Sweden)

    Matthews, Jason

    2015-05-01

    Full Text Available An order picking system consisting of a number of parallel unidirectional picking lines is investigated. Stock keeping units (SKUs that are grouped by product type into distributions (DBNs are assigned daily to available picking lines. A mathematical programming formulation and its relaxations is presented. A greedy insertion and a greedy phased insertion are further introduced to obtain feasible results within usable computation times for all test cases. The walking distance of the pickers was shown to decrease by about 22 per cent compared with the current assignment approach. However, product handling and operational risk increases.

  1. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1984-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given. 12 references

  2. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1985-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given

  3. Automated Negotiation for Resource Assignment in Wireless Surveillance Sensor Networks

    Directory of Open Access Journals (Sweden)

    Enrique de la Hoz

    2015-11-01

    Full Text Available Due to the low cost of CMOS IP-based cameras, wireless surveillance sensor networks have emerged as a new application of sensor networks able to monitor public or private areas or even country borders. Since these networks are bandwidth intensive and the radioelectric spectrum is limited, especially in unlicensed bands, it is mandatory to assign frequency channels in a smart manner. In this work, we propose the application of automated negotiation techniques for frequency assignment. Results show that these techniques are very suitable for the problem, being able to obtain the best solutions among the techniques with which we have compared them.

  4. Probabilistic validation of protein NMR chemical shift assignments

    International Nuclear Information System (INIS)

    Dashti, Hesam; Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel; Ulrich, Eldon L.; Markley, John L.

    2016-01-01

    Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/

  5. A method to assign failure rates for piping reliability assessments

    International Nuclear Information System (INIS)

    Gamble, R.M.; Tagart, S.W. Jr.

    1991-01-01

    This paper reports on a simplified method that has been developed to assign failure rates that can be used in reliability and risk studies of piping. The method can be applied on a line-by-line basis by identifying line and location specific attributes that can lead to piping unreliability from in-service degradation mechanisms and random events. A survey of service experience for nuclear piping reliability also was performed. The data from this survey provides a basis for identifying in-service failure attributes and assigning failure rates for risk and reliability studies

  6. Single machine scheduling with slack due dates assignment

    Science.gov (United States)

    Liu, Weiguo; Hu, Xiangpei; Wang, Xuyin

    2017-04-01

    This paper considers a single machine scheduling problem in which each job is assigned an individual due date based on a common flow allowance (i.e. all jobs have slack due date). The goal is to find a sequence for jobs, together with a due date assignment, that minimizes a non-regular criterion comprising the total weighted absolute lateness value and common flow allowance cost, where the weight is a position-dependent weight. In order to solve this problem, an ? time algorithm is proposed. Some extensions of the problem are also shown.

  7. Probabilistic validation of protein NMR chemical shift assignments

    Energy Technology Data Exchange (ETDEWEB)

    Dashti, Hesam [University of Wisconsin-Madison, Graduate Program in Biophysics, Biochemistry Department (United States); Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States); Ulrich, Eldon L. [University of Wisconsin-Madison, BioMagResBank, Biochemistry Department (United States); Markley, John L., E-mail: markley@nmrfam.wisc.edu, E-mail: jmarkley@wisc.edu [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States)

    2016-01-15

    Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/.

  8. Evoked Feelings, Assigned Meanings and Constructed Knowledge Based on Mistakes

    Directory of Open Access Journals (Sweden)

    Luciane Guimarães Batistella Bianchini

    2017-09-01

    Full Text Available By means of Piaget's critical clinical method, the study investigated the meanings assigned to mistakes by four students in different activities and interactive situations. The research also analyzed the results of using self-regulatory situations in understanding mistakes initially committed by the students. Data collection instruments consisted of games, video recordings, diaries and interviews. Following intervention, the students were able to recognize their competence, establish positive interactions within the group, and avoid viewing mistakes as obstacles to learning. We concluded that the meanings assigned to mistakes depend on certain variables, among them feelings nurtured by the individuals about themselves, the other, and the object of knowledge.

  9. Asymmetry in some common assignment algorithms: the dispersion factor solution

    OpenAIRE

    T de la Barra; B Pérez

    1986-01-01

    Many common assignment algorithms are based on Dial's original design to determine the paths that trip makers will follow from a given origin to destination centroids. The purpose of this paper is to show that the rules that have to be applied result in two unwanted properties. The first is that trips assigned from an origin centroid i to a destination j can be dramatically different to those resulting from centroid j to centroid i , even if the number of trips is the same and the network is ...

  10. Database proton NMR chemical shifts for RNA signal assignment and validation

    Energy Technology Data Exchange (ETDEWEB)

    Barton, Shawn; Heng Xiao [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States); Johnson, Bruce A., E-mail: bruce@onemoonscientific.com [University of Maryland, Baltimore County, Department of Chemistry and Biochemistry (United States); Summers, Michael F., E-mail: summers@hhmi.umbc.edu [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States)

    2013-01-15

    The Biological Magnetic Resonance Data Bank contains NMR chemical shift depositions for 132 RNAs and RNA-containing complexes. We have analyzed the {sup 1}H NMR chemical shifts reported for non-exchangeable protons of residues that reside within A-form helical regions of these RNAs. The analysis focused on the central base pair within a stretch of three adjacent base pairs (BP triplets), and included both Watson-Crick (WC; G:C, A:U) and G:U wobble pairs. Chemical shift values were included for all 4{sup 3} possible WC-BP triplets, as well as 137 additional triplets that contain one or more G:U wobbles. Sequence-dependent chemical shift correlations were identified, including correlations involving terminating base pairs within the triplets and canonical and non-canonical structures adjacent to the BP triplets (i.e. bulges, loops, WC and non-WC BPs), despite the fact that the NMR data were obtained under different conditions of pH, buffer, ionic strength, and temperature. A computer program (RNAShifts) was developed that enables convenient comparison of RNA {sup 1}H NMR assignments with database predictions, which should facilitate future signal assignment/validation efforts and enable rapid identification of non-canonical RNA structures and RNA-ligand/protein interaction sites.

  11. Probing the Carbonyl Functionality of a Petroleum Resin and Asphaltene through Oximation and Schiff Base Formation in Conjunction with N-15 NMR.

    Directory of Open Access Journals (Sweden)

    Kevin A Thorn

    Full Text Available Despite recent advances in spectroscopic techniques, there is uncertainty regarding the nature of the carbonyl groups in the asphaltene and resin fractions of crude oil, information necessary for an understanding of the physical properties and environmental fate of these materials. Carbonyl and hydroxyl group functionalities are not observed in natural abundance 13C nuclear magnetic resonance (NMR spectra of asphaltenes and resins and therefore require spin labeling techniques for detection. In this study, the carbonyl functionalities of the resin and asphaltene fractions from a light aliphatic crude oil that is the source of groundwater contamination at the long term USGS study site near Bemidji, Minnesota, have been examined through reaction with 15N-labeled hydroxylamine and aniline in conjunction with analysis by solid and liquid state 15N NMR. Ketone groups were revealed through 15N NMR detection of their oxime and Schiff base derivatives, and esters through their hydroxamic acid derivatives. Anilinohydroquinone adducts provided evidence for quinones. Some possible configurations of the ketone groups in the resin and asphaltene fractions can be inferred from a consideration of the likely reactions that lead to heterocyclic condensation products with aniline and to the Beckmann reaction products from the initially formed oximes. These include aromatic ketones and ketones adjacent to quaternary carbon centers, β-hydroxyketones, β-diketones, and β-ketoesters. In a solid state cross polarization/magic angle spinning (CP/MAS 15N NMR spectrum recorded on the underivatized asphaltene as a control, carbazole and pyrrole-like nitrogens were the major naturally abundant nitrogens detected.

  12. Probing the carbonyl functionality of a petroleum resin and asphaltene through oximation and schiff base formation in conjunction with N-15 NMR

    Science.gov (United States)

    Thorn, Kevin A.; Cox, Larry G.

    2015-01-01

    Despite recent advances in spectroscopic techniques, there is uncertainty regarding the nature of the carbonyl groups in the asphaltene and resin fractions of crude oil, information necessary for an understanding of the physical properties and environmental fate of these materials. Carbonyl and hydroxyl group functionalities are not observed in natural abundance 13C nuclear magnetic resonance (NMR) spectra of asphaltenes and resins and therefore require spin labeling techniques for detection. In this study, the carbonyl functionalities of the resin and asphaltene fractions from a light aliphatic crude oil that is the source of groundwater contamination at the long term USGS study site near Bemidji, Minnesota, have been examined through reaction with 15N-labeled hydroxylamine and aniline in conjunction with analysis by solid and liquid state 15N NMR. Ketone groups were revealed through 15N NMR detection of their oxime and Schiff base derivatives, and esters through their hydroxamic acid derivatives. Anilinohydroquinone adducts provided evidence for quinones. Some possible configurations of the ketone groups in the resin and asphaltene fractions can be inferred from a consideration of the likely reactions that lead to heterocyclic condensation products with aniline and to the Beckmann reaction products from the initially formed oximes. These include aromatic ketones and ketones adjacent to quaternary carbon centers, β-hydroxyketones, β-diketones, and β-ketoesters. In a solid state cross polarization/magic angle spinning (CP/MAS) 15N NMR spectrum recorded on the underivatized asphaltene as a control, carbazole and pyrrole-like nitrogens were the major naturally abundant nitrogens detected.

  13. Microstrip resonators for electron paramagnetic resonance experiments

    Science.gov (United States)

    Torrezan, A. C.; Mayer Alegre, T. P.; Medeiros-Ribeiro, G.

    2009-07-01

    In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5×1010 spins/GHz1/2 despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

  14. Microstrip resonators for electron paramagnetic resonance experiments.

    Science.gov (United States)

    Torrezan, A C; Mayer Alegre, T P; Medeiros-Ribeiro, G

    2009-07-01

    In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5 x 10(10) spins/GHz(1/2) despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

  15. Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion

    International Nuclear Information System (INIS)

    Habenstein, Birgit; Wasmer, Christian; Bousset, Luc; Sourigues, Yannick; Schütz, Anne; Loquet, Antoine; Meier, Beat H.; Melki, Ronald; Böckmann, Anja

    2011-01-01

    We present the de novo resonance assignments for the crystalline 33 kDa C-terminal domain of the Ure2 prion using an optimized set of five 3D solid-state NMR spectra. We obtained, using a single uniformly 13 C, 15 N labeled protein sample, sequential chemical-shift information for 74% of the N, Cα, Cβ triples, and for 80% of further side-chain resonances for these spin systems. We describe the procedures and protocols devised, and discuss possibilities and limitations of the assignment of this largest protein assigned today by solid-state NMR, and for which no solution-state NMR shifts were available. A comparison of the NMR chemical shifts with crystallographic data reveals that regions with high crystallographic B-factors are particularly difficult to assign. While the secondary structure elements derived from the chemical shift data correspond mainly to those present in the X-ray crystal structure, we detect an additional helical element and structural variability in the protein crystal, most probably originating from the different molecules in the asymmetric unit, with the observation of doubled resonances in several parts, including entire stretches, of the protein. Our results provide the point of departure towards an atomic-resolution structural analysis of the C-terminal Ure2p domain in the context of the full-length prion fibrils.

  16. Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion

    Energy Technology Data Exchange (ETDEWEB)

    Habenstein, Birgit [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France); Wasmer, Christian [Harvard Medical School (United States); Bousset, Luc; Sourigues, Yannick [UPR 3082 CNRS, Laboratoire d' Enzymologie et Biochimie Structurales (France); Schuetz, Anne [ETH Zurich, Physical Chemistry (Switzerland); Loquet, Antoine [Max Planck Institute for Biophysical Chemistry (Germany); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland); Melki, Ronald, E-mail: melki@lebs.cnrs-gif.fr [UPR 3082 CNRS, Laboratoire d' Enzymologie et Biochimie Structurales (France); Boeckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Universite de Lyon 1, Institut de Biologie et Chimie des Proteines (France)

    2011-11-15

    We present the de novo resonance assignments for the crystalline 33 kDa C-terminal domain of the Ure2 prion using an optimized set of five 3D solid-state NMR spectra. We obtained, using a single uniformly {sup 13}C, {sup 15}N labeled protein sample, sequential chemical-shift information for 74% of the N, C{alpha}, C{beta} triples, and for 80% of further side-chain resonances for these spin systems. We describe the procedures and protocols devised, and discuss possibilities and limitations of the assignment of this largest protein assigned today by solid-state NMR, and for which no solution-state NMR shifts were available. A comparison of the NMR chemical shifts with crystallographic data reveals that regions with high crystallographic B-factors are particularly difficult to assign. While the secondary structure elements derived from the chemical shift data correspond mainly to those present in the X-ray crystal structure, we detect an additional helical element and structural variability in the protein crystal, most probably originating from the different molecules in the asymmetric unit, with the observation of doubled resonances in several parts, including entire stretches, of the protein. Our results provide the point of departure towards an atomic-resolution structural analysis of the C-terminal Ure2p domain in the context of the full-length prion fibrils.

  17. CSSI-PRO: a method for secondary structure type editing, assignment and estimation in proteins using linear combination of backbone chemical shifts

    International Nuclear Information System (INIS)

    Swain, Monalisa; Atreya, Hanudatta S.

    2009-01-01

    Estimation of secondary structure in polypeptides is important for studying their structure, folding and dynamics. In NMR spectroscopy, such information is generally obtained after sequence specific resonance assignments are completed. We present here a new methodology for assignment of secondary structure type to spin systems in proteins directly from NMR spectra, without prior knowledge of resonance assignments. The methodology, named Combination of Shifts for Secondary Structure Identification in Proteins (CSSI-PRO), involves detection of specific linear combination of backbone 1 H α and 13 C' chemical shifts in a two-dimensional (2D) NMR experiment based on G-matrix Fourier transform (GFT) NMR spectroscopy. Such linear combinations of shifts facilitate editing of residues belonging to α-helical/β-strand regions into distinct spectral regions nearly independent of the amino acid type, thereby allowing the estimation of overall secondary structure content of the protein. Comparison of the predicted secondary structure content with those estimated based on their respective 3D structures and/or the method of Chemical Shift Index for 237 proteins gives a correlation of more than 90% and an overall rmsd of 7.0%, which is comparable to other biophysical techniques used for structural characterization of proteins. Taken together, this methodology has a wide range of applications in NMR spectroscopy such as rapid protein structure determination, monitoring conformational changes in protein-folding/ligand-binding studies and automated resonance assignment

  18. 1H NMR studies of plastocyanin from Scenedesmus obliquus: Complete sequence-specific assignment, secondary structure analysis, and global fold

    International Nuclear Information System (INIS)

    Moore, J.M.; Chazin, W.J.; Wright, P.E.; Powls, R.

    1988-01-01

    Two-dimensional 1 H NMR methods have been used to make sequence-specific resonance assignments for the 97 amino acid residues of the plastocyanin from the green alga Scenedesmus obliquus. Assignments were obtained for all backbone protons and the majority of the side-chain protons. Spin system identification relied heavily on the observation of relayed connectivities to the backbone amide proton. Sequence-specific assignments were made by using the sequential assignment procedure. During this process, an extra valine residue was identified that had not been detected in the original amino acid sequence. Elements of regular secondary structure were identified from characteristic NOE connectivities between backbone protons, coupling constant values, and the observation of slowly exchanging amide protons. The protein in solution contains eight β-strands, one short segment of helix, five reverse turns, and five loops. The β-strands may be arranged into two βsheets on the basis of extensive cross-strand NOE connectivities. The chain-folding topology determined from the NMR experiments is that of a Greek key β-barrel and is similar to that observed for French bean plastocyanin in solution and poplar plastocyanin in the crystalline state. While the overall structures are similar, several differences in local structure between the S. obliquus and higher plant plastocyanins have been identified

  19. Formularity: Software for Automated Formula Assignment of Natural and Other Organic Matter from Ultrahigh-Resolution Mass Spectra.

    Science.gov (United States)

    Tolić, Nikola; Liu, Yina; Liyu, Andrey; Shen, Yufeng; Tfaily, Malak M; Kujawinski, Elizabeth B; Longnecker, Krista; Kuo, Li-Jung; Robinson, Errol W; Paša-Tolić, Ljiljana; Hess, Nancy J

    2017-12-05

    Ultrahigh resolution mass spectrometry, such as Fourier transform ion cyclotron resonance mass spectrometry (FT ICR MS), can resolve thousands of molecular ions in complex organic matrices. A Compound Identification Algorithm (CIA) was previously developed for automated elemental formula assignment for natural organic matter (NOM). In this work, we describe software Formularity with a user-friendly interface for CIA function and newly developed search function Isotopic Pattern Algorithm (IPA). While CIA assigns elemental formulas for compounds containing C, H, O, N, S, and P, IPA is capable of assigning formulas for compounds containing other elements. We used halogenated organic compounds (HOC), a chemical class that is ubiquitous in nature as well as anthropogenic systems, as an example to demonstrate the capability of Formularity with IPA. A HOC standard mix was used to evaluate the identification confidence of IPA. Tap water and HOC spike in Suwannee River NOM were used to assess HOC identification in complex environmental samples. Strategies for reconciliation of CIA and IPA assignments were discussed. Software and sample databases with documentation are freely available.

  20. Formularity: Software for Automated Formula Assignment of Natural and Other Organic Matter from Ultrahigh-Resolution Mass Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Tolic, Nikola; Liu, Yina; Liyu, Andrey V.; Shen, Yufeng; Tfaily, Malak M.; Kujawinski, Elizabeth B.; Longnecker, Krista; Kuo, Li-Jung; Robinson, Errol W.; Pasa Tolic, Ljiljana; Hess, Nancy J.

    2017-11-13

    Ultrahigh-resolution mass spectrometry, such as Fourier transform ion-cyclotron resonance mass spectrometry (FT-ICR MS), can resolve thousands of molecular ions in complex organic matrices. A Compound Identification Algorithm (CIA) was previously developed for automated elemental formula assignment for natural organic matter (NOM). In this work we describe a user friendly interface for CIA, titled Formularity, which includes an additional functionality to perform search of formulas based on an Isotopic Pattern Algorithm (IPA). While CIA assigns elemental formulas for compounds containing C, H, O, N, S, and P, IPA is capable of assigning formulas for compounds containing other elements. We used halogenated organic compounds (HOC), a chemical class that is ubiquitous in nature as well as anthropogenic systems, as an example to demonstrate the capability of Formularity with IPA. A HOC standard mix was used to evaluate the identification confidence of IPA. The HOC spike in NOM and tap water were used to assess HOC identification in natural and anthropogenic matrices. Strategies for reconciliation of CIA and IPA assignments are discussed. Software and sample databases with documentation are freely available from the PNNL OMICS software repository https://omics.pnl.gov/software/formularity.

  1. Electronically excited negative ion resonant states in chloroethylenes

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

    2015-02-15

    Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

  2. Single Assignment C (SAC): High Productivity meets High Performance

    NARCIS (Netherlands)

    Grelck, C.; Zsók, V.; Horváth, Z.; Plasmeijer, R.

    2012-01-01

    We present the ins and outs of the purely functional, data parallel programming language SaC (Single Assignment C). SaC defines state- and side-effect-free semantics on top of a syntax resembling that of imperative languages like C/C++/C# or Java: functional programming with curly brackets. In

  3. Developing Team Skills through a Collaborative Writing Assignment

    Science.gov (United States)

    Thomas, Theda Ann

    2014-01-01

    Employers want students who are able to work effectively as members of a team, and expect universities to develop this ability in their graduates. This paper proposes a framework for a collaborative writing assignment that specifically develops students' ability to work in teams. The framework has been tested using two iterations of an action…

  4. 47 CFR 90.723 - Selection and assignment of frequencies.

    Science.gov (United States)

    2010-10-01

    ... 220-222 MHz Band § 90.723 Selection and assignment of frequencies. (a) Phase II applications for frequencies in the 220-222 MHz band shall specify whether their intended use is for 10-channel nationwide... medical use. Phase II applicants for frequencies for public safety/mutual aid use or emergency medical use...

  5. Threat evaluation and weapon assignment decision support: A ...

    African Journals Online (AJOL)

    ... stands within the context of a ground based air defence system (GBADS) at the turn of the twenty first century. However, much of the contents of the paper maye generalized to military environments other than a GBADS one. Keywords: Threat evaluation, weapon assignment, decision support. ORiON Vol. 23 (2) 2007: pp.

  6. A Competitive and Experiential Assignment in Search Engine Optimization Strategy

    Science.gov (United States)

    Clarke, Theresa B.; Clarke, Irvine, III

    2014-01-01

    Despite an increase in ad spending and demand for employees with expertise in search engine optimization (SEO), methods for teaching this important marketing strategy have received little coverage in the literature. Using Bloom's cognitive goals hierarchy as a framework, this experiential assignment provides a process for educators who may be new…

  7. Assignments of rights and obligations under a gas sales contract

    International Nuclear Information System (INIS)

    Kowch, J.R.M.

    1996-01-01

    A general overview of the principles of assignment in a gas sales contract was presented. Assignment is a process wherein the rights or obligations under a contract are transferred from one of the contracting parties to a third party. It is, in other words, the introduction of a new party to the original contractual relationship. Under the rights and obligations of a gas sales contract, the most important right of the seller is to have its gas taken and to be paid. Likewise, the most important obligation of the buyer is to take the gas and pay for it. An assignment by either party has the potential to alter the original expectations of the parties or the basis of which they committed to the contract in the first place. Prior to deregulation and unbundling initiatives, gas sellers and buyers could enter a 20 year sales contract and deal exclusively with each other over the entire 20 year term. Since deregulation, there are more players, and a higher level of corporate acquisitions, divestitures, rationalizations, and restructuring. Today, there are greater chances than ever before that the original party to a contract may change, or that certain rights and obligations may be assigned to a third party and affect the expectations under the contract

  8. Nursing Distance Learning Course Comparison of Assignments and Examination Scores

    Science.gov (United States)

    Mundine, Jennifer

    2016-01-01

    Nursing programs have embraced distance learning in their curricula, but discussion is ongoing about course assignments and grading criteria to increase examination scores in nursing distance learning courses. Because course examinations are a predictor of success on the postgraduate licensing examination (NCLEX-RN), the purpose of this study was…

  9. 33 CFR 5.33 - Training, examination, and assignment.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Training, examination, and... GENERAL COAST GUARD AUXILIARY § 5.33 Training, examination, and assignment. The Commandant will prescribe the type of training, qualifications and examinations required before a member of the Auxiliary shall...

  10. Protect Heterogeneous Environment Distributed Computing from Malicious Code Assignment

    Directory of Open Access Journals (Sweden)

    V. S. Gorbatov

    2011-09-01

    Full Text Available The paper describes the practical implementation of the protection system of heterogeneous environment distributed computing from malicious code for the assignment. A choice of technologies, development of data structures, performance evaluation of the implemented system security are conducted.

  11. Asset Mapping: A Course Assignment and Community Assessment

    Science.gov (United States)

    Crozier, Mary; Melchior, Florence

    2013-01-01

    Asset mapping is a relatively new data collection strategy to identify services, staff capacity, programs, resources, values, and other protective factors in a geographic area that can be juxtaposed to risk factors when initiating community planning. A substance abuse prevention course for undergraduates added an assignment of assessing community…

  12. Mining Staff Assignment Rules from Event-Based Data

    NARCIS (Netherlands)

    Ly, Linh Thao; Rinderle, Stefanie; Dadam, Peter; Reichert, Manfred; Bussler, Christoph J.; Haller, Armin

    2006-01-01

    Process mining offers methods and techniques for capturing process behaviour from log data of past process executions. Although many promising approaches on mining the control flow have been published, no attempt has been made to mine the staff assignment situation of business processes. In this

  13. Gamification for Non-Majors Mathematics: An Innovative Assignment Model

    Science.gov (United States)

    Leong, Siow Hoo; Tang, Howe Eng

    2017-01-01

    The most important ingredient of the pedagogy for teaching non-majors is getting their engagement. This paper proposes to use gamification to engage non-majors. An innovative game termed as Cover the Hungarian's Zeros is designed to tackle the common weakness of non-majors mathematics in solving the assignment problem using the Hungarian Method.…

  14. 9 CFR 355.10 - Assignment of inspectors.

    Science.gov (United States)

    2010-01-01

    ... INSPECTION AND CERTIFICATION CERTIFIED PRODUCTS FOR DOGS, CATS, AND OTHER CARNIVORA; INSPECTION... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false Assignment of inspectors. 355.10 Section 355.10 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE...

  15. Homework Assignments to Enhance Student Engagement in Secondary Education

    Science.gov (United States)

    Buijs, Maartje; Admiraal, Wilfried

    2013-01-01

    Secondary school teachers often complain that their students show a disengaged attitude in class. Students do not prepare for lessons, they show a passive attitude towards classroom activities and they have a limited awareness of their own learning process. Based on a pilot study, four homework assignments were designed, implemented, and evaluated…

  16. Application of a Dynamic Programming Algorithm for Weapon Target Assignment

    Science.gov (United States)

    2016-02-01

    evaluation and weapon assignment in maritime combat scenarios. Lloyd also acts as a liaison for the Weapons and Combat Systems Division with the ANZAC...positively identified a number of targets as threats, whether they are an enemy ship (i.e., specifically, its weapon launcher systems) or a directed

  17. Linear Optimization of Frequency Spectrum Assignments Across System

    Science.gov (United States)

    2016-03-01

    selection tools, frequency allocation, transmission optimization, electromagnetic maneuver warfare, electronic protection, assignment model 15. NUMBER ...Characteristics Modeled ...............................................................29 Table 10.   Antenna Systems Modeled , Number of Systems and...surveillance EW early warning GAMS general algebraic modeling system GHz gigahertz IDE integrated development environment ILP integer linear program

  18. Comparison of Categorical Assignments of the BSRI and the PAQ.

    Science.gov (United States)

    Gaa, John P.; Liberman, Dov

    The degree of agreement between the Bem Sex Role Inventory (BSRI) and the Personality Attributes Questionnaire (PAQ) in assigning sex role categories was investigated by administering both instruments to undergraduate education majors. As a result of scoring, subjects were classified as androgynous, masculine, feminine, or undifferentiated. It was…

  19. Unintended Cognitive, Affective, and Behavioral Consequences of Group Assignments

    Science.gov (United States)

    Neu, Wayne A.

    2012-01-01

    Pedagogical strategies can be thought of as a set of stimuli placed in students' environment to influence their cognition, affect, and behavior. The design of strategies such as group assignments and a comprehensive understanding of their consequences for students should then include an analysis of all three of these elements and the…

  20. 28 CFR 345.35 - Assignments to FPI.

    Science.gov (United States)

    2010-07-01

    ..., color, religion, ethnic origin, age, or disability. (b) The SOI ordinarily makes assignments based on... course in pre-industrial training or on-the-job training (as available) before promotion to pay grade four. (2) An inmate who has not successfully completed pre-industrial or on-the-job training remains at...

  1. Privacy-Preserving Task Assignment in Spatial Crowdsourcing

    KAUST Repository

    Liu, An

    2017-09-20

    With the progress of mobile devices and wireless networks, spatial crowdsourcing (SC) is emerging as a promising approach for problem solving. In SC, spatial tasks are assigned to and performed by a set of human workers. To enable effective task assignment, however, both workers and task requesters are required to disclose their locations to untrusted SC systems. In this paper, we study the problem of assigning workers to tasks in a way that location privacy for both workers and task requesters is preserved. We first combine the Paillier cryptosystem with Yao’s garbled circuits to construct a secure protocol that assigns the nearest worker to a task. Considering that this protocol cannot scale to a large number of workers, we then make use of Geohash, a hierarchical spatial index to design a more efficient protocol that can securely find approximate nearest workers. We theoretically show that these two protocols are secure against semi-honest adversaries. Through extensive experiments on two real-world datasets, we demonstrate the efficiency and effectiveness of our protocols.

  2. Assigning Main Orientation to an EOH Descriptor on Multispectral Images

    Directory of Open Access Journals (Sweden)

    Yong Li

    2015-07-01

    Full Text Available This paper proposes an approach to compute an EOH (edge-oriented histogram descriptor with main orientation. EOH has a better matching ability than SIFT (scale-invariant feature transform on multispectral images, but does not assign a main orientation to keypoints. Alternatively, it tends to assign the same main orientation to every keypoint, e.g., zero degrees. This limits EOH to matching keypoints between images of translation misalignment only. Observing this limitation, we propose assigning to keypoints the main orientation that is computed with PIIFD (partial intensity invariant feature descriptor. In the proposed method, SIFT keypoints are detected from images as the extrema of difference of Gaussians, and every keypoint is assigned to the main orientation computed with PIIFD. Then, EOH is computed for every keypoint with respect to its main orientation. In addition, an implementation variant is proposed for fast computation of the EOH descriptor. Experimental results show that the proposed approach performs more robustly than the original EOH on image pairs that have a rotation misalignment.

  3. The Value of Interactive Assignments in the Online Learning Environment

    Science.gov (United States)

    Florenthal, Bela

    2016-01-01

    The offerings of Web-based supplemental material for textbooks have been increasingly growing. When deciding to adopt a textbook, instructors examine the added value of the associated supplements, also called "e-learning tools," to enhance students' learning of course concepts. In this study, one such supplement, interactive assignments,…

  4. A multiobjective approach towards weapon assignment in a ground ...

    African Journals Online (AJOL)

    A typical ground-based air defence (GBAD) environment comprises defended assets on the ground which require protection from enemy aircraft entering the defended airspace. ... of computerised threat evaluation and weapon assignment (TEWA) decision support systems (DSSs) within the context of a GBAD system.

  5. Preconditions of origin, essence and assignment of strategic managerial accounting

    OpenAIRE

    Boiko, I.

    2010-01-01

    The article is devoted to the research of preconditions and necessity of creation strategic managerial accounting in the accounting system of enterprise. There are investigated economic essence and assignment of strategic managerial accounting and substantiated its importance for making strategic decisions on an enterprise.

  6. More Districts Factoring Poverty into Student-Assignment Plans

    Science.gov (United States)

    Zehr, Mary Ann

    2010-01-01

    A growing number of school districts are trying to break up concentrations of poverty on their campuses by taking students' family income into consideration in school assignments. Some of the districts replaced race with socioeconomic status as a determining indicator after the U.S. Supreme Court ruled in 2007 that using race as the primary factor…

  7. Optimal resource assignment in workflows for maximizing cooperation

    NARCIS (Netherlands)

    Kumar, Akhil; Dijkman, R.M.; Song, Minseok; Daniel, Fl.; Wang, J.; Weber, B.

    2013-01-01

    A workflow is a team process since many actors work on various tasks to complete an instance. Resource management in such workflows deals with assignment of tasks to workers or actors. In team formation, it is necessary to ensure that members of a team are compatible with each other. When a workflow

  8. Three results on frequency assignment in linear cellular networks

    Czech Academy of Sciences Publication Activity Database

    Chrobak, M.; Sgall, Jiří

    2010-01-01

    Roč. 411, č. 1 (2010), s. 131-137 ISSN 0304-3975 R&D Projects: GA MŠk(CZ) 1M0545; GA AV ČR IAA100190902 Keywords : frequency assignment * approximation algorithms * online algorithms Subject RIV: BA - General Mathematics Impact factor: 0.838, year: 2010 http://www.sciencedirect.com/science/article/pii/S0304397509006574

  9. 36 CFR 292.22 - Land category assignments.

    Science.gov (United States)

    2010-07-01

    ... land. (iv) Commercial land. (2) Not later than August 12, 1994, a map or maps displaying the privately... availability of this map or maps in the local newspapers of record. (b) Changes in land category assignment.../grazing land so long as the intended use or development is consistent with the standards in § 292.23 and...

  10. Optimal Weight Assignment for a Chinese Signature File.

    Science.gov (United States)

    Liang, Tyne; And Others

    1996-01-01

    Investigates the performance of a character-based Chinese text retrieval scheme in which monogram keys and bigram keys are encoded into document signatures. Tests and verifies the theoretical predictions of the optimal weight assignments and the minimal false hit rate in experiments using a real Chinese corpus for disyllabic queries of different…

  11. 77 FR 8174 - EPAAR Prescription for Work Assignments

    Science.gov (United States)

    2012-02-14

    ... because it does not affect the level of protection provided to human health or the environment. This rulemaking does not involve human health or environmental affects. K. Congressional Review Act The... Prescription for Work Assignments AGENCY: Environmental Protection Agency (EPA). ACTION: Final rule. SUMMARY...

  12. Assigning Main Orientation to an EOH Descriptor on Multispectral Images.

    Science.gov (United States)

    Li, Yong; Shi, Xiang; Wei, Lijun; Zou, Junwei; Chen, Fang

    2015-07-01

    This paper proposes an approach to compute an EOH (edge-oriented histogram) descriptor with main orientation. EOH has a better matching ability than SIFT (scale-invariant feature transform) on multispectral images, but does not assign a main orientation to keypoints. Alternatively, it tends to assign the same main orientation to every keypoint, e.g., zero degrees. This limits EOH to matching keypoints between images of translation misalignment only. Observing this limitation, we propose assigning to keypoints the main orientation that is computed with PIIFD (partial intensity invariant feature descriptor). In the proposed method, SIFT keypoints are detected from images as the extrema of difference of Gaussians, and every keypoint is assigned to the main orientation computed with PIIFD. Then, EOH is computed for every keypoint with respect to its main orientation. In addition, an implementation variant is proposed for fast computation of the EOH descriptor. Experimental results show that the proposed approach performs more robustly than the original EOH on image pairs that have a rotation misalignment.

  13. Python Source Code Plagiarism Attacks on Introductory Programming Course Assignments

    Science.gov (United States)

    Karnalim, Oscar

    2017-01-01

    This paper empirically enlists Python plagiarism attacks that have been found on Introductory Programming course assignments for undergraduate students. According to our observation toward 400 plagiarism-suspected cases, there are 35 plagiarism attacks that have been conducted by students. It starts with comment & whitespace modification as…

  14. Atlas of neutron resonances

    CERN Document Server

    Mughabghab, Said

    2018-01-01

    Atlas of Neutron Resonances: Resonance Properties and Thermal Cross Sections Z= 1-60, Sixth Edition, contains an extensive list of detailed individual neutron resonance parameters for Z=1-60, as well as thermal cross sections, capture resonance integrals, average resonance parameters and a short survey of the physics of thermal and resonance neutrons. The long introduction contains: nuclear physics formulas aimed at neutron physicists; topics of special interest such as valence neutron capture, nuclear level density parameters, and s-, p-, and d-wave neutron strength functions; and various comparisons of measured quantities with the predictions of nuclear models, such as the optical model. As in the last edition, additional features have been added to appeal to a wider spectrum of users. These include: spin-dependent scattering lengths that are of interest to solid-state physicists, nuclear physicists and neutron evaluators; calculated and measured Maxwellian average 5-keV and 30-keV capture cross sections o...

  15. Complete NMR assignment of a bisecting hybrid-type oligosaccharide transferred by Mucor hiemalis endo-β-N-acetylglucosaminidase.

    Science.gov (United States)

    Yamanoi, Takashi; Oda, Yoshiki; Katsuraya, Kaname; Inazu, Toshiyuki; Yamamoto, Kenji

    2016-06-02

    This study describes the complete nuclear magnetic resonance (NMR) spectral assignment of a bisecting hybrid-type oligosaccharide 1, transferred by Mucor hiemalis endo-β-N-acetylglucosaminidase (Endo-M). Through (1)H- and (13)C-NMR, DQF-COSY, HSQC, HMBC, TOCSY, and NOESY experiments, we determine the structure of the glycoside linkage formed by the Endo-M transglycosylation, i.e., the connection between GlcNAc and GlcNAc in oligosaccharide 1. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Simultaneous acquisition of 2D and 3D solid-state NMR experiments for sequential assignment of oriented membrane protein samples.

    Science.gov (United States)

    Gopinath, T; Mote, Kaustubh R; Veglia, Gianluigi

    2015-05-01

    We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins reconstituted in mechanically or magnetically aligned lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living (15)N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through (15)N-(15)N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish (15)N-(15)N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments.

  17. Magnetic resonance imaging apparatus

    International Nuclear Information System (INIS)

    Ehnholm, G.J.

    1991-01-01

    This patent describes an electron spin resonance enhanced magnetic resonance (MR) imaging (ESREMRI) apparatus able to generate a primary magnetic field during periods of nuclear spin transition excitation and magnetic resonance signal detection. This allows the generation of ESREMRI images of a subject. A primary magnetic field of a second and higher value generated during periods of nuclear spin transition excitation and magnetic resonance signal detection can be used to generate conventional MR images of a subject. The ESREMRI and native MR images so generated may be combined, (or superimposed). (author)

  18. Electron paramagnetic resonance

    CERN Document Server

    Al'tshuler, S A

    2013-01-01

    Electron Paramagnetic Resonance is a comprehensive text on the field of electron paramagnetic resonance, covering both the theoretical background and the results of experiment. This book is composed of eight chapters that cover theoretical materials and experimental data on ionic crystals, since these are the materials that have been most extensively studied by the methods of paramagnetic resonance. The opening chapters provide an introduction to the basic principles of electron paramagnetic resonance and the methods of its measurement. The next chapters are devoted to the theory of spectra an

  19. Ramifide resonators for cyclotrons

    International Nuclear Information System (INIS)

    Smirnov, Yu.V.

    2000-01-01

    The resonators with the conductors ramified form for cyclotrons are systematized and separated into the self-contained class - the ramified resonators for cyclotrons (Carr). The ramified resonators are compared with the quarter-wave and half-wave nonramified resonators, accomplished from the transmitting lines fragments. The CRR are classified into two types: ones with the additional structural element, switched in parallel and in series. The CRR may include several additional structural elements. The CRR calculations may be concluded by analytical methods - the method of matrix calculation or the method of telegraph equations and numerical methods - by means of the ISFEL3D, MAFIA and other programs [ru

  20. 76 FR 42706 - Amendment of Inspector General Operations & Reporting System Audit, Assignment, and Timesheet...

    Science.gov (United States)

    2011-07-19

    ... Operations & Reporting System Audit, Assignment, and Timesheet Files (EPA-42) AGENCY: Environmental... (IGOR) System Audit, Assignment, and Timesheet Files (EPA-42) to the Inspector General Enterprise Management System (IGEMS) Audit, Assignment, and Timesheet Modules. DATES: Effective Dates: Persons wishing...

  1. Application of Neutrosophic Set Theory in Generalized Assignment Problem

    Directory of Open Access Journals (Sweden)

    Supriya Kar

    2015-09-01

    Full Text Available This paper presents the application of Neutrosophic Set Theory (NST in solving Generalized Assignment Problem (GAP. GAP has been solved earlier under fuzzy environment. NST is a generalization of the concept of classical set, fuzzy set, interval-valued fuzzy set, intuitionistic fuzzy set. Elements of Neutrosophic set are characterized by a truth-membership function, falsity and also indeterminacy which is a more realistic way of expressing the parameters in real life problem. Here the elements of the cost matrix for the GAP are considered as neutrosophic elements which have not been considered earlier by any other author. The problem has been solved by evaluating score function matrix and then solving it by Extremum Difference Method (EDM [1] to get the optimal assignment. The method has been demonstrated by a suitable numerical example.

  2. Privacy-Preserving Task Assignment in Spatial Crowdsourcing

    KAUST Repository

    Liu, An; Li, Zhi-Xu; Liu, Guan-Feng; Zheng, Kai; Zhang, Min; Li, Qing; Zhang, Xiangliang

    2017-01-01

    untrusted SC systems. In this paper, we study the problem of assigning workers to tasks in a way that location privacy for both workers and task requesters is preserved. We first combine the Paillier cryptosystem with Yao’s garbled circuits to construct a secure protocol that assigns the nearest worker to a task. Considering that this protocol cannot scale to a large number of workers, we then make use of Geohash, a hierarchical spatial index to design a more efficient protocol that can securely find approximate nearest workers. We theoretically show that these two protocols are secure against semi-honest adversaries. Through extensive experiments on two real-world datasets, we demonstrate the efficiency and effectiveness of our protocols.

  3. Scalable Task Assignment for Heterogeneous Multi-Robot Teams

    Directory of Open Access Journals (Sweden)

    Paula García

    2013-02-01

    Full Text Available This work deals with the development of a dynamic task assignment strategy for heterogeneous multi-robot teams in typical real world scenarios. The strategy must be efficiently scalable to support problems of increasing complexity with minimum designer intervention. To this end, we have selected a very simple auction-based strategy, which has been implemented and analysed in a multi-robot cleaning problem that requires strong coordination and dynamic complex subtask organization. We will show that the selection of a simple auction strategy provides a linear computational cost increase with the number of robots that make up the team and allows the solving of highly complex assignment problems in dynamic conditions by means of a hierarchical sub-auction policy. To coordinate and control the team, a layered behaviour-based architecture has been applied that allows the reusing of the auction-based strategy to achieve different coordination levels.

  4. Mapping Learning Outcomes and Assignment Tasks for SPIDER Activities

    Directory of Open Access Journals (Sweden)

    Lyn Brodie

    2011-05-01

    Full Text Available Modern engineering programs have to address rapidly changing technical content and have to enable students to develop transferable skills such as critical evaluation, communication skills and lifelong learning. This paper introduces a combined learning and assessment activity that provides students with opportunities to develop and practice their soft skills, but also extends their theoretical knowledge base. Key tasks included self directed inquiry, oral and written communication as well as peer assessment. To facilitate the SPIDER activities (Select, Prepare and Investigate, Discuss, Evaluate, Reflect, a software tool has been implemented in the learning management system Moodle. Evidence shows increased student engagement and better learning outcomes for both transferable as well as technical skills. The study focuses on generalising the relationship between learning outcomes and assignment tasks as well as activities that drive these tasks. Trail results inform the approach. Staff evaluations and their views of assignments and intended learning outcomes also supported this analysis.

  5. Using a digital storytelling assignment to teach public health advocacy.

    Science.gov (United States)

    de Castro, A B; Levesque, Salem

    2018-03-01

    The need and expectation for advocacy is central to public health nursing practice. Advocacy efforts that effectively call attention to population health threats and promote the well-being of communities rely on strategies that deliver influential messaging. The digital story is a lay method to capture meaningful, impactful stories that can be used to advocate for public health concerns. Readily available, user-friendly digital technologies allow engagement in digital media production to create digital stories. This paper describes how digital story making can be utilized as an academic assignment to teach public health advocacy within an undergraduate nursing curriculum. Providing nursing students this artistic outlet can facilitate meeting academic learning goals, while also equipping them with creative skills that can be applied in future professional practice. Nursing educators can take advantage of institutional resources and campus culture to support the use of novel digital media assignments that facilitate application of advocacy concepts. © 2017 Wiley Periodicals, Inc.

  6. Method for assigning sites to projected generic nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Holter, G.M.; Purcell, W.L.; Shutz, M.E.; Young, J.R.

    1986-07-01

    Pacific Northwest Laboratory developed a method for forecasting potential locations and startup sequences of nuclear power plants that will be required in the future but have not yet been specifically identified by electric utilities. Use of the method results in numerical ratings for potential nuclear power plant sites located in each of the 10 federal energy regions. The rating for each potential site is obtained from numerical factors assigned to each of 5 primary siting characteristics: (1) cooling water availability, (2) site land area, (3) power transmission land area, (4) proximity to metropolitan areas, and (5) utility plans for the site. The sequence of plant startups in each federal energy region is obtained by use of the numerical ratings and the forecasts of generic nuclear power plant startups obtained from the EIA Middle Case electricity forecast. Sites are assigned to generic plants in chronological order according to startup date.

  7. Method for assigning sites to projected generic nuclear power plants

    International Nuclear Information System (INIS)

    Holter, G.M.; Purcell, W.L.; Shutz, M.E.; Young, J.R.

    1986-07-01

    Pacific Northwest Laboratory developed a method for forecasting potential locations and startup sequences of nuclear power plants that will be required in the future but have not yet been specifically identified by electric utilities. Use of the method results in numerical ratings for potential nuclear power plant sites located in each of the 10 federal energy regions. The rating for each potential site is obtained from numerical factors assigned to each of 5 primary siting characteristics: (1) cooling water availability, (2) site land area, (3) power transmission land area, (4) proximity to metropolitan areas, and (5) utility plans for the site. The sequence of plant startups in each federal energy region is obtained by use of the numerical ratings and the forecasts of generic nuclear power plant startups obtained from the EIA Middle Case electricity forecast. Sites are assigned to generic plants in chronological order according to startup date

  8. Fragment assignment in the cloud with eXpress-D

    Science.gov (United States)

    2013-01-01

    Background Probabilistic assignment of ambiguously mapped fragments produced by high-throughput sequencing experiments has been demonstrated to greatly improve accuracy in the analysis of RNA-Seq and ChIP-Seq, and is an essential step in many other sequence census experiments. A maximum likelihood method using the expectation-maximization (EM) algorithm for optimization is commonly used to solve this problem. However, batch EM-based approaches do not scale well with the size of sequencing datasets, which have been increasing dramatically over the past few years. Thus, current approaches to fragment assignment rely on heuristics or approximations for tractability. Results We present an implementation of a distributed EM solution to the fragment assignment problem using Spark, a data analytics framework that can scale by leveraging compute clusters within datacenters–“the cloud”. We demonstrate that our implementation easily scales to billions of sequenced fragments, while providing the exact maximum likelihood assignment of ambiguous fragments. The accuracy of the method is shown to be an improvement over the most widely used tools available and can be run in a constant amount of time when cluster resources are scaled linearly with the amount of input data. Conclusions The cloud offers one solution for the difficulties faced in the analysis of massive high-thoughput sequencing data, which continue to grow rapidly. Researchers in bioinformatics must follow developments in distributed systems–such as new frameworks like Spark–for ways to port existing methods to the cloud and help them scale to the datasets of the future. Our software, eXpress-D, is freely available at: http://github.com/adarob/express-d. PMID:24314033

  9. Learning, Teaching, and Turn Taking in the Repeated Assignment Game

    OpenAIRE

    Timothy N. Cason; Sau-Him Paul Lau; Vai-Lam Mui

    2011-01-01

    History-dependent strategies are often used to support cooperation in repeated game models. Using the indefinitely repeated common-pool resource assignment game and a perfect stranger experimental design, this paper reports novel evidence that players who have successfully used an efficiency-enhancing turn-taking strategy will teach other players in subsequent supergames to adopt this strategy. We find that subjects engage in turn taking frequently in both the Low Conflict and the High Confli...

  10. Transmission Range Assignment with Balancing Connectivity in Clustered Wireless Networks

    OpenAIRE

    Hussein, Abd Ali

    2014-01-01

    Currently, the main challenge for researchers in the field of wireless sensor networks is associated with reducing the energy consumption as much as possible to increase the lifetime of the nodes and improve the performance of the network. Furthermore, delivery of data to its destination is also an important key issue that represents throughput of the network. On the other hand, transmission range assignment in clustered wireless networks is the bottleneck of the balance between energy con...

  11. Model morphing and sequence assignment after molecular replacement

    Energy Technology Data Exchange (ETDEWEB)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87545 (United States); Read, Randy J. [University of Cambridge, Cambridge Institute for Medical Research, Cambridge CB2 0XY (United Kingdom); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Bldg 64R0121, Berkeley, CA 94720 (United States); Brunger, Axel T. [Stanford University, 318 Campus Drive West, Stanford, CA 94305 (United States); Afonine, Pavel V. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Bldg 64R0121, Berkeley, CA 94720 (United States); Hung, Li-Wei [Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87545 (United States)

    2013-11-01

    A procedure for model building is described that combines morphing a model to match a density map, trimming the morphed model and aligning the model to a sequence. A procedure termed ‘morphing’ for improving a model after it has been placed in the crystallographic cell by molecular replacement has recently been developed. Morphing consists of applying a smooth deformation to a model to make it match an electron-density map more closely. Morphing does not change the identities of the residues in the chain, only their coordinates. Consequently, if the true structure differs from the working model by containing different residues, these differences cannot be corrected by morphing. Here, a procedure that helps to address this limitation is described. The goal of the procedure is to obtain a relatively complete model that has accurate main-chain atomic positions and residues that are correctly assigned to the sequence. Residues in a morphed model that do not match the electron-density map are removed. Each segment of the resulting trimmed morphed model is then assigned to the sequence of the molecule using information about the connectivity of the chains from the working model and from connections that can be identified from the electron-density map. The procedure was tested by application to a recently determined structure at a resolution of 3.2 Å and was found to increase the number of correctly identified residues in this structure from the 88 obtained using phenix.resolve sequence assignment alone (Terwilliger, 2003 ▶) to 247 of a possible 359. Additionally, the procedure was tested by application to a series of templates with sequence identities to a target structure ranging between 7 and 36%. The mean fraction of correctly identified residues in these cases was increased from 33% using phenix.resolve sequence assignment to 47% using the current procedure. The procedure is simple to apply and is available in the Phenix software package.

  12. An Optimization Method of Passenger Assignment for Customized Bus

    OpenAIRE

    Yang Cao; Jian Wang

    2017-01-01

    This study proposes an optimization method of passenger assignment on customized buses (CB). Our proposed method guarantees benefits to passengers by balancing the elements of travel time, waiting time, delay, and economic cost. The optimization problem was solved using a Branch and Bound (B&B) algorithm based on the shortest path for the selected stations. A simulation-based evaluation of the proposed optimization method was conducted. We find that a CB service can save 38.33% in average tra...

  13. Automatic Functionality Assignment to AUTOSAR Multicore Distributed Architectures

    DEFF Research Database (Denmark)

    Maticu, Florin; Pop, Paul; Axbrink, Christian

    2016-01-01

    The automotive electronic architectures have moved from federated architectures, where one function is implemented in one ECU (Electronic Control Unit), to distributed architectures, where several functions may share resources on an ECU. In addition, multicore ECUs are being adopted because...... of better performance, cost, size, fault-tolerance and power consumption. In this paper we present an approach for the automatic software functionality assignment to multicore distributed architectures. We consider that the systems use the AUTomotive Open System ARchitecture (AUTOSAR). The functionality...

  14. Model morphing and sequence assignment after molecular replacement

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.; Read, Randy J.; Adams, Paul D.; Brunger, Axel T.; Afonine, Pavel V.; Hung, Li-Wei

    2013-01-01

    A procedure for model building is described that combines morphing a model to match a density map, trimming the morphed model and aligning the model to a sequence. A procedure termed ‘morphing’ for improving a model after it has been placed in the crystallographic cell by molecular replacement has recently been developed. Morphing consists of applying a smooth deformation to a model to make it match an electron-density map more closely. Morphing does not change the identities of the residues in the chain, only their coordinates. Consequently, if the true structure differs from the working model by containing different residues, these differences cannot be corrected by morphing. Here, a procedure that helps to address this limitation is described. The goal of the procedure is to obtain a relatively complete model that has accurate main-chain atomic positions and residues that are correctly assigned to the sequence. Residues in a morphed model that do not match the electron-density map are removed. Each segment of the resulting trimmed morphed model is then assigned to the sequence of the molecule using information about the connectivity of the chains from the working model and from connections that can be identified from the electron-density map. The procedure was tested by application to a recently determined structure at a resolution of 3.2 Å and was found to increase the number of correctly identified residues in this structure from the 88 obtained using phenix.resolve sequence assignment alone (Terwilliger, 2003 ▶) to 247 of a possible 359. Additionally, the procedure was tested by application to a series of templates with sequence identities to a target structure ranging between 7 and 36%. The mean fraction of correctly identified residues in these cases was increased from 33% using phenix.resolve sequence assignment to 47% using the current procedure. The procedure is simple to apply and is available in the Phenix software package

  15. Model morphing and sequence assignment after molecular replacement.

    Science.gov (United States)

    Terwilliger, Thomas C; Read, Randy J; Adams, Paul D; Brunger, Axel T; Afonine, Pavel V; Hung, Li-Wei

    2013-11-01

    A procedure termed `morphing' for improving a model after it has been placed in the crystallographic cell by molecular replacement has recently been developed. Morphing consists of applying a smooth deformation to a model to make it match an electron-density map more closely. Morphing does not change the identities of the residues in the chain, only their coordinates. Consequently, if the true structure differs from the working model by containing different residues, these differences cannot be corrected by morphing. Here, a procedure that helps to address this limitation is described. The goal of the procedure is to obtain a relatively complete model that has accurate main-chain atomic positions and residues that are correctly assigned to the sequence. Residues in a morphed model that do not match the electron-density map are removed. Each segment of the resulting trimmed morphed model is then assigned to the sequence of the molecule using information about the connectivity of the chains from the working model and from connections that can be identified from the electron-density map. The procedure was tested by application to a recently determined structure at a resolution of 3.2 Å and was found to increase the number of correctly identified residues in this structure from the 88 obtained using phenix.resolve sequence assignment alone (Terwilliger, 2003) to 247 of a possible 359. Additionally, the procedure was tested by application to a series of templates with sequence identities to a target structure ranging between 7 and 36%. The mean fraction of correctly identified residues in these cases was increased from 33% using phenix.resolve sequence assignment to 47% using the current procedure. The procedure is simple to apply and is available in the Phenix software package.

  16. Practical Homework Assignments As Part Of Chemistry Teaching And Learning

    OpenAIRE

    Dragica Trivic; Mirjana Markovi; Miomir Randjelovi

    2010-01-01

    The paper presents two examples of classroom practices when practical research tasks in primary and secondary school are assigned as homework. The task for primary school students was aimed at developing divergent thinking, which is evidenced and illustrated by some examples of students’ solutions. The task for secondary school students illustrates how these students are able to apply their classroom knowledge of acids, bases and indicators on the substances they can find in everyday life. Th...

  17. A career exploration assignment for first-year pharmacy students.

    Science.gov (United States)

    Sholy, Lydia; Zeenny, Rony

    2013-11-12

    To develop, implement, and assess student-learning outcomes from an assignment designed to expose first-year pharmacy students (P1) to a wide range of pharmacy career pathways. Students enrolled in a required Pharmacy Practice and Ethics course at the Lebanese American University chose 1 pharmacist career to investigate from a suggested list of 28 career pathways. Students completed a literature review on the selected career, interviewed a pharmacist practicing that career path in Lebanon, wrote a paper, and prepared and delivered a summary presentation to their classmates about the career pathway. Students peer evaluated their classmates after each presentation. More than 85% of the students scored ≥70% on the assignment based on their achievement of student learning outcomes. Responses on an anonymous questionnaire showed that more than 94.6% of students were satisfied with the extent to which the course allowed them to meet the established learning outcomes. A career exploration assignment provided pharmacy students with an opportunity to widen their knowledge and understanding of the different career pathways that are available for them.

  18. Web-Based Problem-Solving Assignment and Grading System

    Science.gov (United States)

    Brereton, Giles; Rosenberg, Ronald

    2014-11-01

    In engineering courses with very specific learning objectives, such as fluid mechanics and thermodynamics, it is conventional to reinforce concepts and principles with problem-solving assignments and to measure success in problem solving as an indicator of student achievement. While the modern-day ease of copying and searching for online solutions can undermine the value of traditional assignments, web-based technologies also provide opportunities to generate individualized well-posed problems with an infinite number of different combinations of initial/final/boundary conditions, so that the probability of any two students being assigned identical problems in a course is vanishingly small. Such problems can be designed and programmed to be: single or multiple-step, self-grading, allow students single or multiple attempts; provide feedback when incorrect; selectable according to difficulty; incorporated within gaming packages; etc. In this talk, we discuss the use of a homework/exam generating program of this kind in a single-semester course, within a web-based client-server system that ensures secure operation.

  19. Performance evaluation of distributed wavelength assignment in WDM optical networks

    Science.gov (United States)

    Hashiguchi, Tomohiro; Wang, Xi; Morikawa, Hiroyuki; Aoyama, Tomonori

    2004-04-01

    In WDM wavelength routed networks, prior to a data transfer, a call setup procedure is required to reserve a wavelength path between the source-destination node pairs. A distributed approach to a connection setup can achieve a very high speed, while improving the reliability and reducing the implementation cost of the networks. However, along with many advantages, several major challenges have been posed by the distributed scheme in how the management and allocation of wavelength could be efficiently carried out. In this thesis, we apply a distributed wavelength assignment algorithm named priority based wavelength assignment (PWA) that was originally proposed for the use in burst switched optical networks to the problem of reserving wavelengths of path reservation protocols in the distributed control optical networks. Instead of assigning wavelengths randomly, this approach lets each node select the "safest" wavelengths based on the information of wavelength utilization history, thus unnecessary future contention is prevented. The simulation results presented in this paper show that the proposed protocol can enhance the performance of the system without introducing any apparent drawbacks.

  20. De novo protein structure generation from incomplete chemical shift assignments

    Energy Technology Data Exchange (ETDEWEB)

    Shen Yang [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Vernon, Robert; Baker, David [University of Washington, Department of Biochemistry and Howard Hughes Medical Institute (United States); Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov

    2009-02-15

    NMR chemical shifts provide important local structural information for proteins. Consistent structure generation from NMR chemical shift data has recently become feasible for proteins with sizes of up to 130 residues, and such structures are of a quality comparable to those obtained with the standard NMR protocol. This study investigates the influence of the completeness of chemical shift assignments on structures generated from chemical shifts. The Chemical-Shift-Rosetta (CS-Rosetta) protocol was used for de novo protein structure generation with various degrees of completeness of the chemical shift assignment, simulated by omission of entries in the experimental chemical shift data previously used for the initial demonstration of the CS-Rosetta approach. In addition, a new CS-Rosetta protocol is described that improves robustness of the method for proteins with missing or erroneous NMR chemical shift input data. This strategy, which uses traditional Rosetta for pre-filtering of the fragment selection process, is demonstrated for two paramagnetic proteins and also for two proteins with solid-state NMR chemical shift assignments.

  1. Effectiveness of author-assigned keywords to INIS indexing

    International Nuclear Information System (INIS)

    Yokoo, Hiroshi; Takahashi, Satoko; Habara, Tadashi

    1977-01-01

    A test was carried out on the quality of indexing data which is based only upon author-assigned keywords in order to appreciate effectiveness of the keywords. As measures of the quality, the retrievability and the consistency of the indexing data were evaluated by comparison with the case of the conventional indexing method under the circumstances of the INIS descriptor assignment to the journal articles of the Atomic Energy Society of Japan. The indexing consistency obtained was approximately 0.61 on an average (or 0.66 when the narrower-broader hierarchical relations were regarded as consistent ones). Of the hit, noise, or total documents retrieved with the conventional indexing data, 0.86, 0.27, or 0.71, respectively, were retrievable with the keywords-based indexing data. From the results the recall ratio for the keywords-based indexing is estimated to be no less than 0.86 of that for the conventional indexing method, and the consistency of the hit documents are to be 0.75 at least. Consequently, the author-assigned keywords proved to be very effective to the document indexing. (auth.)

  2. A feedback model of figure-ground assignment.

    Science.gov (United States)

    Domijan, Drazen; Setić, Mia

    2008-05-30

    A computational model is proposed in order to explain how bottom-up and top-down signals are combined into a unified perception of figure and background. The model is based on the interaction between the ventral and the dorsal stream. The dorsal stream computes saliency based on boundary signals provided by the simple and the complex cortical cells. Output from the dorsal stream is projected to the surface network which serves as a blackboard on which the surface representation is formed. The surface network is a recurrent network which segregates different surfaces by assigning different firing rates to them. The figure is labeled by the maximal firing rate. Computer simulations showed that the model correctly assigns figural status to the surface with a smaller size, a greater contrast, convexity, surroundedness, horizontal-vertical orientation and a higher spatial frequency content. The simple gradient of activity in the dorsal stream enables the simulation of the new principles of the lower region and the top-bottom polarity. The model also explains how the exogenous attention and the endogenous attention may reverse the figural assignment. Due to the local excitation in the surface network, neural activity at the cued region will spread over the whole surface representation. Therefore, the model implements the object-based attentional selection.

  3. Target assignment for security officers to K targets (TASK)

    International Nuclear Information System (INIS)

    Rowland, J.R.; Shelton, K.W.; Stunkel, C.B.

    1983-02-01

    A probabilistic algorithm is developed to provide an optimal Target Assignment for Security officers to K targets (TASK) using a maximin criterion. Under the assumption of only a limited number (N) of security officers, the TASK computer model determines deployment assignments which maximize the system protection against sabotage by an adversary who may select any link in the system, including the weakest, for the point of attack. Applying the TASK model to a hypothetical nuclear facility containing a nine-level building reveals that aggregate targets covering multiple vital areas should be utilized to reduce the number of possible target assignments to a value equal to or only slightly larger than N. The increased probability that a given aggregate target is covered by one or more security officers offsets the slight decrease in interruption probability due to its occurring earlier in the adversary's path. In brief, the TASK model determines the optimal maximin deployment strategy for limited numbers of security officers and calculates a quantitative measure of the resulting system protection

  4. Evaluation of Dynamic Channel and Power Assignment for Cognitive Networks

    Energy Technology Data Exchange (ETDEWEB)

    Syed A. Ahmad; Umesh Shukla; Ryan E. Irwin; Luiz A. DaSilva; Allen B. MacKenzie

    2011-03-01

    In this paper, we develop a unifying optimization formulation to describe the Dynamic Channel and Power Assignment (DCPA) problem and evaluation method for comparing DCPA algorithms. DCPA refers to the allocation of transmit power and frequency channels to links in a cognitive network so as to maximize the total number of feasible links while minimizing the aggregate transmit power. We apply our evaluation method to five algorithms representative of DCPA used in literature. This comparison illustrates the tradeoffs between control modes (centralized versus distributed) and channel/power assignment techniques. We estimate the complexity of each algorithm. Through simulations, we evaluate the effectiveness of the algorithms in achieving feasible link allocations in the network, as well as their power efficiency. Our results indicate that, when few channels are available, the effectiveness of all algorithms is comparable and thus the one with smallest complexity should be selected. The Least Interfering Channel and Iterative Power Assignment (LICIPA) algorithm does not require cross-link gain information, has the overall lowest run time, and highest feasibility ratio of all the distributed algorithms; however, this comes at a cost of higher average power per link.

  5. FISCAL DECENTRALIZATION IN THE DRC: EVIDENCE OFREVENUE ASSIGNMENT

    Directory of Open Access Journals (Sweden)

    Angelita Kithatu-Kiwekete

    2017-07-01

    Full Text Available The rationalefor central government to devolve resources for service provisionhas been debated in decentralization literature. Decentralization enhancesdemocracy,encouragesparticipation in local development initiativesandpromotes local political accountability.This discourse has been complemented bythe implementation of fiscal decentralization to increase the ability of sub-nationalgovernment in financing municipal service delivery. Fiscal decentralization hasoften been adopted by African statessince the onset ofthe New PublicManagement erain an effortto improvethe standard ofgovernance. The concernis that African states have taken minimal steps to adopt fiscal devolution thatpromotes revenue assignment which in turn limits sub-nationalgovernments’ability to generate own source revenues.This article examines the revenue assignment function of fiscal decentralization inthe Democratic Republic of Congo(DRCinthelight of decentralizationconcerns that have been raised by civil society, as the country charts its course todemocracy. The article is a desktop study that will consider documents andpoliciesin theDRCon thenational, provincialand locallevel as far asstaterevenue sourcesare concerned. Revenue assignment should enable DRC’sprovinces and local authoritiestogeneratesignificantrevenueindependently.However, post-conflict reconstruction and development efforts in the Great Lakesregion and in the DRC have largely isolated decentralization which wouldotherwise entrench local fiscalautonomy infinancing for local services anddevelopment. The article concludes that revenue generation for local authoritiesandtheprovinces in the DRC is still very centralised by the national government.Thearticleproposes policy recommendations that will be useful for the country toensurethatdecentralization effortsinclude fiscal devolution toenhance thefinancing for local development initiatives.

  6. Controlling Parametric Resonance

    DEFF Research Database (Denmark)

    Galeazzi, Roberto; Pettersen, Kristin Ytterstad

    2012-01-01

    the authors review the conditions for the onset of parametric resonance, and propose a nonlinear control strategy in order to both induce the resonant oscillations and to stabilize the unstable motion. Lagrange’s theory is used to derive the dynamics of the system and input–output feedback linearization...

  7. Electron Paramagnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Electron Paramagnetic Resonance Spectroscopy: Biological Applications. B G Hegde. General Article Volume 20 Issue 11 November 2015 pp 1017-1032. Fulltext. Click here to view fulltext PDF. Permanent link:

  8. Electromagnetic resonance waves

    International Nuclear Information System (INIS)

    Villaba, J.M.; Manjon, F.J.; Guirao, A.; Andres, M.V.

    1994-01-01

    We describe in this paper a set of experiments designed to make qualitative and quantitative measurements on electromagnetic resonances of several simple systems. The experiments are designed for the undergraduate laboratory of Electricity and Magnetism in Physics. These experiments can help the students understanding the concept of resonance, which appears in different fields of Physics. (Author) 8 refs

  9. Laser magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Ferrari, C.A.

    1985-01-01

    The technique of laser resonance magnetic resonance allows one to study the high-resolution spectroscopy of transient paramagnetic species, viz, atoms, radicals, and molecular ions. This article is a brief exposition of the method, describing the principles, instrumentation and applicability of the IR and FIR-LMR and shows results of HF + . (Author) [pt

  10. Resonance and Fractal Geometry

    NARCIS (Netherlands)

    Broer, Henk W.

    The phenomenon of resonance will be dealt with from the viewpoint of dynamical systems depending on parameters and their bifurcations. Resonance phenomena are associated to open subsets in the parameter space, while their complement corresponds to quasi-periodicity and chaos. The latter phenomena

  11. Nuclear Magnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 1. Nuclear Magnetic Resonance Spectroscopy. Susanta Das. General Article Volume 9 Issue 1 January 2004 pp 34-49. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/009/01/0034-0049. Keywords.

  12. Cardiac magnetic resonance imaging

    African Journals Online (AJOL)

    2011-03-06

    Mar 6, 2011 ... Cardiac magnetic resonance imaging. Cardiovascular magnetic resonance imaging is becoming a routine diagnostic technique. BRUCE s sPOTTiswOOdE, PhD. MRC/UCT Medical Imaging Research Unit, University of Cape Town, and Division of Radiology, Stellenbosch University. Bruce Spottiswoode ...

  13. Fundamentals of nanomechanical resonators

    CERN Document Server

    Schmid, Silvan; Roukes, Michael Lee

    2016-01-01

    This authoritative book introduces and summarizes the latest models and skills required to design and optimize nanomechanical resonators, taking a top-down approach that uses macroscopic formulas to model the devices. The authors cover the electrical and mechanical aspects of nano electromechanical system (NEMS) devices. The introduced mechanical models are also key to the understanding and optimization of nanomechanical resonators used e.g. in optomechanics. Five comprehensive chapters address: The eigenmodes derived for the most common continuum mechanical structures used as nanomechanical resonators; The main sources of energy loss in nanomechanical resonators; The responsiveness of micro and nanomechanical resonators to mass, forces, and temperature; The most common underlying physical transduction mechanisms; The measurement basics, including amplitude and frequency noise. The applied approach found in this book is appropriate for engineering students and researchers working with micro and nanomechanical...

  14. Resonant snubber inverter

    Science.gov (United States)

    Lai, Jih-Sheng; Young, Sr., Robert W.; Chen, Daoshen; Scudiere, Matthew B.; Ott, Jr., George W.; White, Clifford P.; McKeever, John W.

    1997-01-01

    A resonant, snubber-based, soft switching, inverter circuit achieves lossless switching during dc-to-ac power conversion and power conditioning with minimum component count and size. Current is supplied to the resonant snubber branches solely by the main inverter switches. Component count and size are reduced by use of a single semiconductor switch in the resonant snubber branches. Component count is also reduced by maximizing the use of stray capacitances of the main switches as parallel resonant capacitors. Resonance charging and discharging of the parallel capacitances allows lossless, zero voltage switching. In one embodiment, circuit component size and count are minimized while achieving lossless, zero voltage switching within a three-phase inverter.

  15. Time-resolved resonance raman spectrum of all-trans-diphenylbutadiene in the lowest excited singlet state

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, Niels-Henrik; Langkilde, F.W.

    1984-01-01

    The resonance Raman spectrwn of all-trans-diphenylbutadiene in its lowest excited S1 state excited in resonance with the S1 → Sn absorption band at 650 nm in non-polar solvents is reported. Three vibrational bands at 1572, 1481 and 1165 cm−1 are observed. A possible assignment of the the 1481 cm−...

  16. Exploring an ultracold Fermi-Fermi mixture: Interspecies Feshbach resonances and scattering properties of 6Li and 40K

    NARCIS (Netherlands)

    Wille, E.; Spiegelhalder, F.M.; Kerner, G.; Naik, D.; Trenkwalder, A.; Hendl, G.; Schreck, F.; Grimm, R.; Tiecke, T.G.; Walraven, J.T.M.; Kokkelmans, S.J.J.M.F.; Tiesinga, E.; Julienne, P.S.

    2008-01-01

    We report on the observation of Feshbach resonances in an ultracold mixture of two fermionic species, 6Li and 40K. The experimental data are interpreted using a simple asymptotic bound state model and full coupled channels calculations. This unambiguously assigns the observed resonances in terms of

  17. Missing and Spurious Level Corrections for Nuclear Resonances

    International Nuclear Information System (INIS)

    Mitchell, G E; Agvaanluvsan, U; Pato, M P; Shriner, J F

    2005-01-01

    Neutron and proton resonances provide detailed level density information. However, due to experimental limitations, some levels are missed and some are assigned incorrect quantum numbers. The standard method to correct for missing levels uses the experimental widths and the Porter-Thomas distribution. Analysis of the spacing distribution provides an independent determination of the fraction of missing levels. We have derived a general expression for such an imperfect spacing distribution using the maximum entropy principle and applied it to a variety of nuclear resonance data. The problem of spurious levels has not been extensively addressed

  18. Advances in magnetic resonance 10

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 10, presents a variety of contributions to the theory and practice of magnetic resonance. The book contains three chapters that examine superoperators in magnetic resonance; ultrasonically modulated paramagnetic resonance; and the utility of electron paramagnetic resonance (EPR) and electron-nuclear double-resonance (ENDOR) techniques for studying low-frequency modes of atomic fluctuations and their significance for understanding the mechanism of structural phase transitions in solids.

  19. Multiple photon resonances

    International Nuclear Information System (INIS)

    Elliott, C.J.; Feldman, B.J.

    1979-02-01

    A detailed theoretical analysis is presented of the interaction of intense near-resonant monochromatic radiation with an N-level anharmonic oscillator. In particular, the phenomenon of multiple photon resonance, the process by which an N-level system resonantly absorbs two or more photons simultaneously, is investigated. Starting from the Schroedinger equation, diagrammatic techniques are developed that allow the resonant process to be analyzed quantitatively, in analogy with well-known two-level coherent phenomena. In addition, multiple photon Stark shifts of the resonances, shifts absent in two-level theory, are obtained from the diagrams. Insights into the nature of multiple photon resonances are gained by comparing the quantum mechanical system with classical coupled pendulums whose equations of motion possess identical eigenvalues and eigenvectors. In certain limiting cases, including that of the resonantly excited N-level harmonic oscillator and that of the equally spaced N-level system with equal matrix elements, analytic results are derived. The influence of population relaxation and phase-disrupting collisions on the multiple photon process are also analyzed, the latter by extension of the diagrammatic technique to the density matrix equations of motion. 11 figures

  20. Properties of spiral resonators

    International Nuclear Information System (INIS)

    Haeuser, J.

    1989-10-01

    The present thesis deals with the calculation and the study of the application possibilities of single and double spiral resonators. The main aim was the development and the construction of reliable and effective high-power spiral resonators for the UNILAC of the GSI in Darmstadt and the H - -injector for the storage ring HERA of DESY in Hamburg. After the presentation of the construction and the properties of spiral resonators and their description by oscillating-circuit models the theoretical foundations of the bunching are presented and some examples of a rebuncher and debuncher and their influence on the longitudinal particle dynamics are shown. After the description of the characteristic accelerator quantities by means of an oscillating-circuit model and the theory of an inhomogeneous λ/4 line it is shown, how the resonance frequency and the efficiency of single and double spiral resonators can be calculated from the geometrical quantities of the structure. In the following the dependence of the maximal reachable resonator voltage in dependence on the gap width and the surface of the drift tubes is studied. Furthermore the high-power resonators are presented, which were built for the different applications for the GSI in Darmstadt, DESY in Hamburg, and for the FOM Institute in Amsterdam. (orig./HSI) [de

  1. Magnetic Resonance Force Microscopy System

    Data.gov (United States)

    Federal Laboratory Consortium — The Magnetic Resonance Force Microscopy (MRFM) system, developed by ARL, is the world's most sensitive nuclear magnetic resonance (NMR) spectroscopic analysis tool,...

  2. Resonant power converters

    CERN Document Server

    Kazimierczuk, Marian K

    2012-01-01

    This book is devoted to resonant energy conversion in power electronics. It is a practical, systematic guide to the analysis and design of various dc-dc resonant inverters, high-frequency rectifiers, and dc-dc resonant converters that are building blocks of many of today's high-frequency energy processors. Designed to function as both a superior senior-to-graduate level textbook for electrical engineering courses and a valuable professional reference for practicing engineers, it provides students and engineers with a solid grasp of existing high-frequency technology, while acquainting them wit

  3. Excitation of Nucleon Resonances

    International Nuclear Information System (INIS)

    Burkert, Volker D.

    2001-01-01

    I discuss developments in the area of nucleon resonance excitation, both necessary and feasible, that would put our understanding of nucleon structure in the regime of strong QCD on a qualitatively new level. They involve the collection of high quality data in various channels, a more rigorous approach in the search for ''missing'' resonances, an effort to compute some critical quantities in nucleon resonance excitations from first principles, i.e. QCD, and a proposal focused to obtain an understanding of a fundamental quantity in nucleon structure

  4. Dihadronic and dileptonic resonances

    International Nuclear Information System (INIS)

    Gareev, F.A.; Barabanov, M.Yu.; Kazacha, G.S.

    1997-01-01

    Simple phenomenological rules are suggested for calculation of dihadron and dilepton resonance masses. A general interpretation is given for different exotic resonances in nuclear physics: Darmstadt-effect, dibaryon, dipion and other resonances. Information about the inner structure of e ± , proton, neutron, pions and so on can be obtained from the usual reactions of the type e + + e - =>γγ, e ± +γ=>e ± γ, e ± μ ± , e ± N... at low, intermediate and high energies using existing experimental devices

  5. Multiquark resonant states

    International Nuclear Information System (INIS)

    Shahbazian, B.A.

    1982-01-01

    The invariant mass spectra of forty nine hadronic systems with hypercharge, strangeness and baryon number, varied in wide limits have been studied. Resonance peaks have been found in the invariant mass spectra of Y 2 and #betta#pπ 2495 MeV/c 2 resonant states. Three more candidates for anti qq 4 states were found #bettaπ# + π + : 1705, 2072, 2605 MeV/c 2 . The masses of all these candidates are in good agreement with Bag Model predictions. A hypercharge selection rule is suggested: ''The hypercharge of hadronic resonances in weak gravitational fields cannot exceed one Y <= 1

  6. Resonant halide perovskite nanoparticles

    Science.gov (United States)

    Tiguntseva, Ekaterina Y.; Ishteev, Arthur R.; Komissarenko, Filipp E.; Zuev, Dmitry A.; Ushakova, Elena V.; Milichko, Valentin A.; Nesterov-Mueller, Alexander; Makarov, Sergey V.; Zakhidov, Anvar A.

    2017-09-01

    The hybrid halide perovskites is a prospective material for fabrication of cost-effective optical devices. Unique perovskites properties are used for solar cells and different photonic applications. Recently, perovskite-based nanophotonics has emerged. Here, we consider perovskite like a high-refractive index dielectric material, which can be considered to be a basis for nanoparticles fabrication with Mie resonances. As a result, we fabricate and study resonant perovskite nanoparticles with different sizes. We reveal, that spherical nanoparticles show enhanced photoluminescence signal. The achieved results lay a cornerstone in the field of novel types of organic-inorganic nanophotonics devices with optical properties improved by Mie resonances.

  7. Writing with resonance

    DEFF Research Database (Denmark)

    Meier, Ninna; Wegener, Charlotte

    2017-01-01

    In this article, we explore what organization and management scholars can do to write with resonance and to facilitate an emotional, bodily, or in other ways sensory connection between the text and the reader. We propose that resonance can be relevant for organization and management scholars in two......, and thus bring forward the field of research in question. We propose that writing with resonance may be a way to further the impact of academic work by extending the modalities with which our readers can relate to and experience our work....

  8. Doubly resonant multiphoton ionization

    International Nuclear Information System (INIS)

    Crance, M.

    1978-01-01

    A particular case of doubly resonant multiphoton ionization is theoretically investigated. More precisely, two levels quasi-resonant with two successive harmonics of the field frequency are considered. The method used is based on the effective operator formalism first introduced for this problem by Armstrong, Beers and Feneuille. The main result is to show the possibility of observing large interference effects on the width of the resonances. Moreover this treatment allows us to make more precise the connection between effective operator formalism and standard perturbation theory

  9. Resonance search on πN reaction

    International Nuclear Information System (INIS)

    Sugahara, Ryuhei

    1974-01-01

    Present status of the study on resonance state is reviewed. Among various problems on the resonance state, the inelastic decay of baryon resonance and boson resonance are described in this paper. Experimental data on N → N eta with bubble chambers are few. An experimental results by using a counter shows enhancement around 1.8 GeV in the relation between cross section and energy. Some bubble chamber experiment also shows enhancement around 1.6 GeV. The spin and parity analyses for 1000 events are required. Data on N → Nω show enhancement at 1.76 GeV. The effective mass distribution on N → delta ++ (1236)π + π - shows enhancement around 2.0 GeV. Study on the boson resonance has been made, but still ambiguity remains. Effective mass distribution on the reaction π + d → pspπ + π - π 0 shows a peak of ω 1664 . The assignment of spin and parity by Matthews et al. is not in agreement with that by Kenyon et al. therefore confirmation by other experiment is necessary. A few experiment show peaks at 1.4 and 1.7 GeV in the effective mass distribution of (rho 0 rho 0 ) in the reaction anti pp → 3π + π - . Confirmation is also required. Deviation was found in the effective mass distribution of (ωπ + π - ) in anti pp → 3π + π - π 0 reaction, and ωπ + π - decay was seen in π + d → psp2π + 2π - π 0 reaction. (Kato, T.)

  10. DNA barcode data accurately assign higher spider taxa

    Directory of Open Access Journals (Sweden)

    Jonathan A. Coddington

    2016-07-01

    Full Text Available The use of unique DNA sequences as a method for taxonomic identification is no longer fundamentally controversial, even though debate continues on the best markers, methods, and technology to use. Although both existing databanks such as GenBank and BOLD, as well as reference taxonomies, are imperfect, in best case scenarios “barcodes” (whether single or multiple, organelle or nuclear, loci clearly are an increasingly fast and inexpensive method of identification, especially as compared to manual identification of unknowns by increasingly rare expert taxonomists. Because most species on Earth are undescribed, a complete reference database at the species level is impractical in the near term. The question therefore arises whether unidentified species can, using DNA barcodes, be accurately assigned to more inclusive groups such as genera and families—taxonomic ranks of putatively monophyletic groups for which the global inventory is more complete and stable. We used a carefully chosen test library of CO1 sequences from 49 families, 313 genera, and 816 species of spiders to assess the accuracy of genus and family-level assignment. We used BLAST queries of each sequence against the entire library and got the top ten hits. The percent sequence identity was reported from these hits (PIdent, range 75–100%. Accurate assignment of higher taxa (PIdent above which errors totaled less than 5% occurred for genera at PIdent values >95 and families at PIdent values ≥ 91, suggesting these as heuristic thresholds for accurate generic and familial identifications in spiders. Accuracy of identification increases with numbers of species/genus and genera/family in the library; above five genera per family and fifteen species per genus all higher taxon assignments were correct. We propose that using percent sequence identity between conventional barcode sequences may be a feasible and reasonably accurate method to identify animals to family/genus. However

  11. The Reduction of Directed Cyclic Graph for Task Assignment Problem

    Directory of Open Access Journals (Sweden)

    Ariffin W.N.M.

    2018-01-01

    Full Text Available In this paper, a directed cyclic graph (DCG is proposed as the task graph. It is undesirable and impossible to complete the task according to the constraints if the cycle exists. Therefore, an effort should be done in order to eliminate the cycle to obtain a directed acyclic graph (DAG, so that the minimum amount of time required for the entire task can be found. The technique of reducing the complexity of the directed cyclic graph to a directed acyclic graph by reversing the orientation of the path is the main contribution of this study. The algorithm was coded using Java programming and consistently produced good assignment and task schedule.

  12. Symmetric reconfigurable capacity assignment in a bidirectional DWDM access network.

    Science.gov (United States)

    Ortega, Beatriz; Mora, José; Puerto, Gustavo; Capmany, José

    2007-12-10

    This paper presents a novel architecture for DWDM bidirectional access networks providing symmetric dynamic capacity allocation for both downlink and uplink signals. A foldback arrayed waveguide grating incorporating an optical switch enables the experimental demonstration of flexible assignment of multiservice capacity. Different analog and digital services, such as CATV, 10 GHz-tone, 155Mb/s PRBS and UMTS signals have been transmitted in order to successfully test the system performance under different scenarios of total capacity distribution from the Central Station to different Base Stations with two reconfigurable extra channels for each down and upstream direction.

  13. Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information

    International Nuclear Information System (INIS)

    Fritzsching, K. J.; Yang, Y.; Schmidt-Rohr, K.; Hong Mei

    2013-01-01

    We introduce a Python-based program that utilizes the large database of 13 C and 15 N chemical shifts in the Biological Magnetic Resonance Bank to rapidly predict the amino acid type and secondary structure from correlated chemical shifts. The program, called PACSYlite Unified Query (PLUQ), is designed to help assign peaks obtained from 2D 13 C– 13 C, 15 N– 13 C, or 3D 15 N– 13 C– 13 C magic-angle-spinning correlation spectra. We show secondary-structure specific 2D 13 C– 13 C correlation maps of all twenty amino acids, constructed from a chemical shift database of 262,209 residues. The maps reveal interesting conformation-dependent chemical shift distributions and facilitate searching of correlation peaks during amino-acid type assignment. Based on these correlations, PLUQ outputs the most likely amino acid types and the associated secondary structures from inputs of experimental chemical shifts. We test the assignment accuracy using four high-quality protein structures. Based on only the Cα and Cβ chemical shifts, the highest-ranked PLUQ assignments were 40–60 % correct in both the amino-acid type and the secondary structure. For three input chemical shifts (CO–Cα–Cβ or N–Cα–Cβ), the first-ranked assignments were correct for 60 % of the residues, while within the top three predictions, the correct assignments were found for 80 % of the residues. PLUQ and the chemical shift maps are expected to be useful at the first stage of sequential assignment, for combination with automated sequential assignment programs, and for highly disordered proteins for which secondary structure analysis is the main goal of structure determination.

  14. Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsching, K. J.; Yang, Y.; Schmidt-Rohr, K.; Hong Mei, E-mail: mhong@iastate.edu [Iowa State University, Department of Chemistry (United States)

    2013-06-15

    We introduce a Python-based program that utilizes the large database of {sup 13}C and {sup 15}N chemical shifts in the Biological Magnetic Resonance Bank to rapidly predict the amino acid type and secondary structure from correlated chemical shifts. The program, called PACSYlite Unified Query (PLUQ), is designed to help assign peaks obtained from 2D {sup 13}C-{sup 13}C, {sup 15}N-{sup 13}C, or 3D {sup 15}N-{sup 13}C-{sup 13}C magic-angle-spinning correlation spectra. We show secondary-structure specific 2D {sup 13}C-{sup 13}C correlation maps of all twenty amino acids, constructed from a chemical shift database of 262,209 residues. The maps reveal interesting conformation-dependent chemical shift distributions and facilitate searching of correlation peaks during amino-acid type assignment. Based on these correlations, PLUQ outputs the most likely amino acid types and the associated secondary structures from inputs of experimental chemical shifts. We test the assignment accuracy using four high-quality protein structures. Based on only the C{alpha} and C{beta} chemical shifts, the highest-ranked PLUQ assignments were 40-60 % correct in both the amino-acid type and the secondary structure. For three input chemical shifts (CO-C{alpha}-C{beta} or N-C{alpha}-C{beta}), the first-ranked assignments were correct for 60 % of the residues, while within the top three predictions, the correct assignments were found for 80 % of the residues. PLUQ and the chemical shift maps are expected to be useful at the first stage of sequential assignment, for combination with automated sequential assignment programs, and for highly disordered proteins for which secondary structure analysis is the main goal of structure determination.

  15. 41 CFR 102-79.20 - What standard must Executive agencies promote when assigning space?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What standard must Executive agencies promote when assigning space? 102-79.20 Section 102-79.20 Public Contracts and Property... PROPERTY 79-ASSIGNMENT AND UTILIZATION OF SPACE Assignment and Utilization of Space Assignment of Space...

  16. 20 CFR 422.104 - Who can be assigned a social security number.

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Who can be assigned a social security number... General Procedures § 422.104 Who can be assigned a social security number. (a) Persons eligible for SSN assignment. We can assign you a social security number if you meet the evidence requirements in § 422.107 and...

  17. Magnetic Resonance (MR) Defecography

    Science.gov (United States)

    ... to a CD or uploaded to a digital cloud server. Magnetic resonance (MR) defecography is a special ... with you. top of page What are the benefits vs. risks? Benefits MR defecography helps assess pelvic ...

  18. Quantum Proximity Resonances

    International Nuclear Information System (INIS)

    Heller, E.J.

    1996-01-01

    It is well known that at long wavelengths λ an s-wave scatterer can have a scattering cross section σ on the order of λ 2 , much larger than its physical size, as measured by the range of its potential. Very interesting phenomena can arise when two or more identical scatterers are placed close together, well within one wavelength. We show that, for a pair of identical scatterers, an extremely narrow p-wave open-quote open-quote proximity close-quote close-quote resonance develops from a broader s-wave resonance of the individual scatterers. A new s-wave resonance of the pair also appears. The relation of these proximity resonances (so called because they appear when the scatterers are close together) to the Thomas and Efimov effects is discussed. copyright 1996 The American Physical Society

  19. Resonances in QCD

    Energy Technology Data Exchange (ETDEWEB)

    Lutz, Matthias F.M., E-mail: m.lutz@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Technische Universität Darmstadt, D-64289 Darmstadt (Germany); Lange, Jens Sören, E-mail: Soeren.Lange@exp2.physik.uni-giessen.de [II. Physikalisches Institut, Justus-Liebig-Universität Giessen, D-35392 Giessen (Germany); Pennington, Michael, E-mail: michaelp@jlab.org [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); Bettoni, Diego [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, 44122 Ferrara (Italy); Brambilla, Nora [Physik Department, Technische Universität München, D-85747 Garching (Germany); Crede, Volker [Department of Physics, Florida State University, Tallahassee, FL 32306 (United States); Eidelman, Simon [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Budker Istitute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Gillitzer, Albrecht [Institut für Kernphysik, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Gradl, Wolfgang [Institut für Kernphysik, Johannes Gutenberg-Universität Mainz, D-55128 Mainz (Germany); Lang, Christian B. [Institut für Physik, Universität Graz, A-8010 Graz (Austria); Metag, Volker [II. Physikalisches Institut, Justus-Liebig-Universität Giessen, D-35392 Giessen (Germany); Nakano, Takashi [Research Center for Nuclear Physics, Osaka University, Osaka 567-0047 (Japan); and others

    2016-04-15

    We report on the EMMI Rapid Reaction Task Force meeting ‘Resonances in QCD’, which took place at GSI October 12–14, 2015. A group of 26 people met to discuss the physics of resonances in QCD. The aim of the meeting was defined by the following three key questions: • What is needed to understand the physics of resonances in QCD? • Where does QCD lead us to expect resonances with exotic quantum numbers? • What experimental efforts are required to arrive at a coherent picture? For light mesons and baryons only those with up, down and strange quark content were considered. For heavy–light and heavy–heavy meson systems, those with charm quarks were the focus. This document summarizes the discussions by the participants, which in turn led to the coherent conclusions we present here.

  20. Magnetic resonance angiography (MRA)

    International Nuclear Information System (INIS)

    Arlart, I.P.; Guhl, L.

    1992-01-01

    An account is given in this paper of the physical and technical principles underlying the 'time-of-flight' technique for imaging of vessels by magnetic resonance tomography. Major indications for the new procedure of magnetic resonance angiography at present are intracerebral and extracerebral vessels, with digital subtraction angiography quite often being required to cope with minor alterations (small aneurysms, small occlusions). Magnetic resonance angiography and digital subtraction angiography are compared to each other for advantages and disadvantages. Basically, replacement of radiological angiography by magnetic resonance angiography appears to be possible only within limits, since X-ray diagnostics primarily provides morphological information about vessels, whereas flow dynamics is visualized by the 'time-of-flight' technique. (orig.) [de