Alterations in Brain Structure and Functional Connectivity in Alcohol Dependent Patients and Possible Association with Impulsivity.

Science.gov (United States)

Wang, Junkai; Fan, Yunli; Dong, Yue; Ma, Mengying; Ma, Yi; Dong, Yuru; Niu, Yajuan; Jiang, Yin; Wang, Hong; Wang, Zhiyan; Wu, Liuzhen; Sun, Hongqiang; Cui, Cailian

2016-01-01

Previous studies have documented that heightened impulsivity likely contributes to the development and maintenance of alcohol use disorders. However, there is still a lack of studies that comprehensively detected the brain changes associated with abnormal impulsivity in alcohol addicts. This study was designed to investigate the alterations in brain structure and functional connectivity associated with abnormal impulsivity in alcohol dependent patients. Brain structural and functional magnetic resonance imaging data as well as impulsive behavior data were collected from 20 alcohol dependent patients and 20 age- and sex-matched healthy controls respectively. Voxel-based morphometry was used to investigate the differences of grey matter volume, and tract-based spatial statistics was used to detect abnormal white matter regions between alcohol dependent patients and healthy controls. The alterations in resting-state functional connectivity in alcohol dependent patients were examined using selected brain areas with gray matter deficits as seed regions. Compared with healthy controls, alcohol dependent patients had significantly reduced gray matter volume in the mesocorticolimbic system including the dorsal posterior cingulate cortex, the dorsal anterior cingulate cortex, the medial prefrontal cortex, the orbitofrontal cortex and the putamen, decreased fractional anisotropy in the regions connecting the damaged grey matter areas driven by higher radial diffusivity value in the same areas and decreased resting-state functional connectivity within the reward network. Moreover, the gray matter volume of the left medial prefrontal cortex exhibited negative correlations with various impulse indices. These findings suggest that chronic alcohol dependence could cause a complex neural changes linked to abnormal impulsivity.

Hadron structure functions

International Nuclear Information System (INIS)

Martin, F.

1981-03-01

The x dependence of hadron structure functions is investigated. If quarks can exist in very low mass states (10 MeV for d and u quarks) the pion structure function is predicted to behave like (1-x) and not (1-x) 2 in a x-region around 1. Relativistic and non-relativistic quark bound state pictures of hadrons are considered together with their relation with the Q 2 evolution of structure functions. Good agreement with data is in general obtained

Evolution of spin-dependent structure functions from DGLAP equations in leading order and next to leading order

International Nuclear Information System (INIS)

Baishya, R.; Jamil, U.; Sarma, J. K.

2009-01-01

In this paper the spin-dependent singlet and nonsinglet structure functions have been obtained by solving Dokshitzer, Gribov, Lipatov, Altarelli, Parisi evolution equations in leading order and next to leading order in the small x limit. Here we have used Taylor series expansion and then the method of characteristics to solve the evolution equations. We have also calculated t and x evolutions of deuteron structure functions, and the results are compared with the SLAC E-143 Collaboration data.

Scale-Dependence of Processes Structuring Dung Beetle Metacommunities Using Functional Diversity and Community Deconstruction Approaches

Science.gov (United States)

da Silva, Pedro Giovâni; Hernández, Malva Isabel Medina

2015-01-01

Community structure is driven by mechanisms linked to environmental, spatial and temporal processes, which have been successfully addressed using metacommunity framework. The relative importance of processes shaping community structure can be identified using several different approaches. Two approaches that are increasingly being used are functional diversity and community deconstruction. Functional diversity is measured using various indices that incorporate distinct community attributes. Community deconstruction is a way to disentangle species responses to ecological processes by grouping species with similar traits. We used these two approaches to determine whether they are improvements over traditional measures (e.g., species composition, abundance, biomass) for identification of the main processes driving dung beetle (Scarabaeinae) community structure in a fragmented mainland-island landscape in southern Brazilian Atlantic Forest. We sampled five sites in each of four large forest areas, two on the mainland and two on the island. Sampling was performed in 2012 and 2013. We collected abundance and biomass data from 100 sampling points distributed over 20 sampling sites. We studied environmental, spatial and temporal effects on dung beetle community across three spatial scales, i.e., between sites, between areas and mainland-island. The γ-diversity based on species abundance was mainly attributed to β-diversity as a consequence of the increase in mean α- and β-diversity between areas. Variation partitioning on abundance, biomass and functional diversity showed scale-dependence of processes structuring dung beetle metacommunities. We identified two major groups of responses among 17 functional groups. In general, environmental filters were important at both local and regional scales. Spatial factors were important at the intermediate scale. Our study supports the notion of scale-dependence of environmental, spatial and temporal processes in the distribution

Structural and functional characteristics of cGMP-dependent methionine oxidation in Arabidopsis thaliana proteins

KAUST Repository

Marondedze, Claudius

2013-01-05

Background: Increasing structural and biochemical evidence suggests that post-translational methionine oxidation of proteins is not just a result of cellular damage but may provide the cell with information on the cellular oxidative status. In addition, oxidation of methionine residues in key regulatory proteins, such as calmodulin, does influence cellular homeostasis. Previous findings also indicate that oxidation of methionine residues in signaling molecules may have a role in stress responses since these specific structural modifications can in turn change biological activities of proteins. Findings. Here we use tandem mass spectrometry-based proteomics to show that treatment of Arabidopsis thaliana cells with a non-oxidative signaling molecule, the cell-permeant second messenger analogue, 8-bromo-3,5-cyclic guanosine monophosphate (8-Br-cGMP), results in a time-dependent increase in the content of oxidised methionine residues. Interestingly, the group of proteins affected by cGMP-dependent methionine oxidation is functionally enriched for stress response proteins. Furthermore, we also noted distinct signatures in the frequency of amino acids flanking oxidised and un-oxidised methionine residues on both the C- and N-terminus. Conclusions: Given both a structural and functional bias in methionine oxidation events in response to a signaling molecule, we propose that these are indicative of a specific role of such post-translational modifications in the direct or indirect regulation of cellular responses. The mechanisms that determine the specificity of the modifications remain to be elucidated. 2013 Marondedze et al.; licensee BioMed Central Ltd.

The spin dependent structure function g1 of the deuteron and the proton

International Nuclear Information System (INIS)

Klostermann, L.

1995-01-01

This thesis presents a study on the spin structure of the nucleon, via deep inelastic scattering (DIS) of polarised nuons on polarised proton and deuterium targets. The work was done in the Spin Muon Collaboration (SMC) at CERN in Geneva. From the asymmetry in the scattering cross section for nucleon and lepton spins parallel and anti-parallel, one con determine the spin dependent structure function g 1 , which contains information on the quark and gluon spin distribution functions. The interpretation in the frame work of the quark parton model (QPM) of earlier results on g 1 p by the European Muon Collaboration (EMC), gave an indication that only a small fraction of the proton spin, compatible with zero, is carried by the spins of the constituent quarks. The SMC was set up to check this unexpected result with improved accuracy, and to combine measurements of g 1 p and g 1 d to test a fundamental sum rule in quantum chromodynamics (QCD), the Bjorken sum rule. (orig./WL)

Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

Energy Technology Data Exchange (ETDEWEB)

Oxley, M. P.; Kapetanakis, M. D.; Prange, Micah P.; Varela, M.; Pennycook, Stephen J.; Pantelides, Sokrates T.

2014-03-31

We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

Proton structure functions at small x

International Nuclear Information System (INIS)

Hentschinski, Martin

2015-01-01

Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recent result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F 2 and F L , which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F 2 . We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F 2 in the small x region, as measured at HERA. Predictions for the structure function F L are found to be in agreement with the existing HERA data. (paper)

Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

Energy Technology Data Exchange (ETDEWEB)

Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)

2007-09-15

The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.

The Deuteron Spin-dependent Structure Function $g^{d}_1$ and its First Moment

CERN Document Server

Alexakhin, V.Yu.; Alexeev, G.D.; Alexeev, M.; Amoroso, A.; Balestra, F.; Ball, J.; Barth, J.; Baum, G.; Becker, M.; Bedfer, Y.; Bernet, C.; Bertini, R.; Bettinelli, M.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bressan, A.; Brona, G.; Burtin, E.; Bussa, M.P.; Bytchkov, V.N.; Chapiro, A.; Cicuttin, A.; Colantoni, M.; Colavita, A.A.; Costa, S.; Crespo, M.L.; d'Hose, N.; Dalla Torre, S.; Das, S.; Dasgupta, S.S.; De Masi, R.; Dedek, N.; Demchenko, D.; Denisov, O.Yu.; Dhara, L.; Diaz, V.; Dinkelbach, A.M.; Donskov, S.V.; Dorofeev, V.A.; Doshita, N.; Duic, V.; Dunnweber, W.; Efremov, A.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Fauland, P.; Ferrero, A.; Ferrero, L.; Finger, M.; M. Finger jr.; Fischer, H.; Franz, J.; Friedrich, J.M.; Frolov, V.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.P.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gobbo, B.; Goertz, S.; Gorin, A.M.; Grajek, O.A.; Grasso, A.; Grube, B.; Guskov, A.; Haas, F.; Hannappel, J.; von Harrach, D.; Hasegawa, T.; Hedicke, S.; Heinsius, F.H.; Hermann, R.; Hess, C.; Hinterberger, F.; von Hodenberg, M.; Horikawa, N.; Horikawa, S.; Horn, I.; Ilgner, C.; Ioukaev, A.I.; Ivanchin, I.; Ivanov, O.; Iwata, T.; Jahn, R.; Janata, A.; Joosten, R.; Jouravlev, N.I.; Kabuss, E.; Kang, D.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu. A.; Kisselev, Yu.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.H.; Kolosov, V.N.; Komissarov, E.V.; Kondo, K.; Konigsmann, K.; Konorov, I.; Konstantinov, V.F.; Korentchenko, A.S.; Korzenev, A.; Kotzinian, A.M.; Koutchinski, N.A.; Kouznetsov, O.; Kowalik, K.; Kramer, D.; Kravchuk, N.P.; Krivokhizhin, G.V.; Kroumchtein, Z.V.; Kubart, J.; Kuhn, R.; Kukhtin, V.; Kunne, F.; Kurek, K.; Ladygin, M.E.; Lamanna, M.; Le Goff, J.M.; Leberig, M.; Lednev, A.A.; Lehmann, A.; Lichtenstadt, J.; Liska, T.; Ludwig, I.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.K.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Masek, L.; Massmann, F.; Matsuda, T.; Matthia, D.; Maximov, A.N.; Meyer, W.; Mielech, A.; Mikhailov, Yu. V.; Moinester, M.A.; Nagel, T.; Nahle, O.; Nassalski, J.; Neliba, S.; Neyret, D.P.; Nikolaenko, V.I.; Nikolaev, K.; Nozdrin, A.A.; Obraztsov, V.F.; Olshevsky, A.G.; Ostrick, M.; Padee, A.; Pagano, P.; Panebianco, S.; Panzieri, D.; Paul, S.; Peshekhonov, D.V.; Peshekhonov, V.D.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.A.; Pontecorvo, G.; Popov, A.A.; Pretz, J.; Procureur, S.; Quintans, C.; Ramos, S.; Reicherz, G.; Rondio, E.; Rozhdestvensky, A.M.; Ryabchikov, D.; Samoylenko, V.D.; Sandacz, A.; Santos, H.; Sapozhnikov, M.G.; Savin, I.A.; Schiavon, P.; Schill, C.; Schmitt, L.; Schroeder, W.; Seeharsch, D.; Seimetz, M.; Setter, D.; Shevchenko, O.Yu.; Siebert, H.W.; Silva, L.; Sinha, L.; Sissakian, A.N.; Slunecka, M.; Smirnov, G.I.; Sozzi, F.; Srnka, A.; Stinzing, F.; Stolarski, M.; Sugonyaev, V.P.; Sulc, M.; Sulej, R.; Tchalishev, V.V.; Tessaro, S.; Tessarotto, F.; Teufel, A.; Tkatchev, L.G.; Trippel, S.; Venugopal, G.; Virius, M.; Vlassov, N.V.; Webb, R.; Weise, E.; Weitzel, Q.; Windmolders, R.; Wislicki, W.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Zhao, J.; Zvyagin, A.

2007-01-01

We present a measurement of the deuteron spin-dependent structure function g^d_1 based on the data collected by the COMPASS experiment at CERN during the years 2002-2004. The data provide an accurate evaluation for \\Gamma^d_1, the first moment of g^d_1(x), and for the matrix element of the singlet axial current, a_0. The results of QCD fits in the next to leading order (NLO) on all g1 deep inelastic scattering data are also presented. They provide two solutions with the gluon spin distribution function \\Delta_G positive or negative, which describe the data equally well. In both cases, at Q^2 = 3(GeV/c)^2 the first moment of \\Delta G is found to be of the order of 0:2 - 0:3 in absolute value.

NCACO-score: An effective main-chain dependent scoring function for structure modeling

Directory of Open Access Journals (Sweden)

Dong Xiaoxi

2011-05-01

Full Text Available Abstract Background Development of effective scoring functions is a critical component to the success of protein structure modeling. Previously, many efforts have been dedicated to the development of scoring functions. Despite these efforts, development of an effective scoring function that can achieve both good accuracy and fast speed still presents a grand challenge. Results Based on a coarse-grained representation of a protein structure by using only four main-chain atoms: N, Cα, C and O, we develop a knowledge-based scoring function, called NCACO-score, that integrates different structural information to rapidly model protein structure from sequence. In testing on the Decoys'R'Us sets, we found that NCACO-score can effectively recognize native conformers from their decoys. Furthermore, we demonstrate that NCACO-score can effectively guide fragment assembly for protein structure prediction, which has achieved a good performance in building the structure models for hard targets from CASP8 in terms of both accuracy and speed. Conclusions Although NCACO-score is developed based on a coarse-grained model, it is able to discriminate native conformers from decoy conformers with high accuracy. NCACO is a very effective scoring function for structure modeling.

Resonance contribution to electromagnetic structure functions

International Nuclear Information System (INIS)

Bowling, A.L. Jr.

1974-01-01

The part of the pion and proton electromagnetic structure functions due to direct channel resonances in the virtual Compton amplitude is discussed. After a phenomenological discussion, based on the work of Bloom and Gilman, of resonance production in inelastic electroproduction, the single resonance contribution to the pion and proton structure functions is expressed in terms of transition form factors. Froissart-Gribov representations of the Compton amplitude partial waves are presented and are used to specify the spin dependence of the transition form factors. The dependence of the form factors on momentum transfer and resonance mass is assumed on the basis of the behavior of exclusive resonance electroproduction. The single resonance contributions are summed in the Bjorken limit, and the result exhibits Bjorken scaling. Transverse photons are found to dominate in the Bjorken limit, and the threshold behavior of the resonant part of the structure functions is related to the asymptotic behavior of exclusive form factors at large momentum transfer. The resonant parts of the annihilation structure functions are not in general given by simple analytic continuation in the scaling vari []ble ω' of the electroproduction structure functions. (Diss. Abstr. Int., B)

Time-domain representation of frequency-dependent foundation impedance functions

Science.gov (United States)

Safak, E.

2006-01-01

Foundation impedance functions provide a simple means to account for soil-structure interaction (SSI) when studying seismic response of structures. Impedance functions represent the dynamic stiffness of the soil media surrounding the foundation. The fact that impedance functions are frequency dependent makes it difficult to incorporate SSI in standard time-history analysis software. This paper introduces a simple method to convert frequency-dependent impedance functions into time-domain filters. The method is based on the least-squares approximation of impedance functions by ratios of two complex polynomials. Such ratios are equivalent, in the time-domain, to discrete-time recursive filters, which are simple finite-difference equations giving the relationship between foundation forces and displacements. These filters can easily be incorporated into standard time-history analysis programs. Three examples are presented to show the applications of the method.

Generalized fluid impulse functions for oscillating marine structures

Science.gov (United States)

Janardhanan, K.; Price, W. G.; Wu, Y.

1992-03-01

A selection of generalized impulse response functions is presented for a variety of rigid and flexible marine structures (i.e. mono-hull, SWATH, floating drydock and twin dock, fixed flexible pile). These functions are determined from calculated and experimental frequency-dependent hydrodynamic data, and the characteristics of these data depend on the type of structure considered. This information is reflected in the shape and duration of the generalized impulse response functions which are pre-requisites for a generalized integro-differential mathematical model describing the dynamic behaviour of the structures to seaway excitation.

Measurement of the deep-inelastic spin-dependent structure functions of the proton and neutron at HERA

International Nuclear Information System (INIS)

Beck, D.H.; Filippone, B.W.; Jourdan, J.

1988-01-01

It is possible to measure the deep-inelastic spin-dependent structure functions g 1 /sup p/(x) and g 1 /sup n/(x) for the proton and neutron using internal polarized hydrogen, deuterium, and 3 He targets of polarization 50% and thickness 10 14 to 10 15 cm -2 and the 60 mA longitudinally polarized 30 GeV electron beam in the HERA electron storage ring. The measurement of the deep-inelastic spin-structure of both isospin states of the nucleon at the same kinematics and using the same apparatus allows the Bjorken sum rule to be experimentally checked. In addition, it uniquely constrains the spin distribution of the u and d quarks as a function of x in any model of the nucleon. Possible target and detector configurations are described and an estimate of the accuracy of such a measurement is presented

Functional Insights from Structural Genomics

Energy Technology Data Exchange (ETDEWEB)

Forouhar,F.; Kuzin, A.; Seetharaman, J.; Lee, I.; Zhou, W.; Abashidze, M.; Chen, Y.; Montelione, G.; Tong, L.; et al

2007-01-01

Structural genomics efforts have produced structural information, either directly or by modeling, for thousands of proteins over the past few years. While many of these proteins have known functions, a large percentage of them have not been characterized at the functional level. The structural information has provided valuable functional insights on some of these proteins, through careful structural analyses, serendipity, and structure-guided functional screening. Some of the success stories based on structures solved at the Northeast Structural Genomics Consortium (NESG) are reported here. These include a novel methyl salicylate esterase with important role in plant innate immunity, a novel RNA methyltransferase (H. influenzae yggJ (HI0303)), a novel spermidine/spermine N-acetyltransferase (B. subtilis PaiA), a novel methyltransferase or AdoMet binding protein (A. fulgidus AF{_}0241), an ATP:cob(I)alamin adenosyltransferase (B. subtilis YvqK), a novel carboxysome pore (E. coli EutN), a proline racemase homolog with a disrupted active site (B. melitensis BME11586), an FMN-dependent enzyme (S. pneumoniae SP{_}1951), and a 12-stranded {beta}-barrel with a novel fold (V. parahaemolyticus VPA1032).

Linezolid-Dependent Function and Structure Adaptation of Ribosomes in a Staphylococcus epidermidis Strain Exhibiting Linezolid Dependence

OpenAIRE

Kokkori, Sofia; Apostolidi, Maria; Tsakris, Athanassios; Pournaras, Spyros; Stathopoulos, Constantinos; Dinos, George

2014-01-01

Linezolid-dependent growth was recently reported in Staphylococcus epidermidis clinical strains carrying mutations associated with linezolid resistance. To investigate this unexpected behavior at the molecular level, we isolated active ribosomes from one of the linezolid-dependent strains and we compared them with ribosomes isolated from a wild-type strain. Both strains were grown in the absence and presence of linezolid. Detailed biochemical and structural analyses revealed essential differe...

Network structure shapes spontaneous functional connectivity dynamics.

Science.gov (United States)

Shen, Kelly; Hutchison, R Matthew; Bezgin, Gleb; Everling, Stefan; McIntosh, Anthony R

2015-04-08

The structural organization of the brain constrains the range of interactions between different regions and shapes ongoing information processing. Therefore, it is expected that large-scale dynamic functional connectivity (FC) patterns, a surrogate measure of coordination between brain regions, will be closely tied to the fiber pathways that form the underlying structural network. Here, we empirically examined the influence of network structure on FC dynamics by comparing resting-state FC (rsFC) obtained using BOLD-fMRI in macaques (Macaca fascicularis) to structural connectivity derived from macaque axonal tract tracing studies. Consistent with predictions from simulation studies, the correspondence between rsFC and structural connectivity increased as the sample duration increased. Regions with reciprocal structural connections showed the most stable rsFC across time. The data suggest that the transient nature of FC is in part dependent on direct underlying structural connections, but also that dynamic coordination can occur via polysynaptic pathways. Temporal stability was found to be dependent on structural topology, with functional connections within the rich-club core exhibiting the greatest stability over time. We discuss these findings in light of highly variable functional hubs. The results further elucidate how large-scale dynamic functional coordination exists within a fixed structural architecture. Copyright © 2015 the authors 0270-6474/15/355579-10$15.00/0.

A Mapping Between Structural and Functional Brain Networks.

Science.gov (United States)

Meier, Jil; Tewarie, Prejaas; Hillebrand, Arjan; Douw, Linda; van Dijk, Bob W; Stufflebeam, Steven M; Van Mieghem, Piet

2016-05-01

The relationship between structural and functional brain networks is still highly debated. Most previous studies have used a single functional imaging modality to analyze this relationship. In this work, we use multimodal data, from functional MRI, magnetoencephalography, and diffusion tensor imaging, and assume that there exists a mapping between the connectivity matrices of the resting-state functional and structural networks. We investigate this mapping employing group averaged as well as individual data. We indeed find a significantly high goodness of fit level for this structure-function mapping. Our analysis suggests that a functional connection is shaped by all walks up to the diameter in the structural network in both modality cases. When analyzing the inverse mapping, from function to structure, longer walks in the functional network also seem to possess minor influence on the structural connection strengths. Even though similar overall properties for the structure-function mapping are found for different functional modalities, our results indicate that the structure-function relationship is modality dependent.

Dependency Structures for Statistical Machine Translation

Science.gov (United States)

Bach, Nguyen

2012-01-01

Dependency structures represent a sentence as a set of dependency relations. Normally the dependency structures from a tree connect all the words in a sentence. One of the most defining characters of dependency structures is the ability to bring long distance dependency between words to local dependency structures. Another the main attraction of…

Path-dependent functions

International Nuclear Information System (INIS)

Khrapko, R.I.

1985-01-01

A uniform description of various path-dependent functions is presented with the help of expansion of the type of the Taylor series. So called ''path-integrals'' and ''path-tensor'' are introduced which are systems of many-component quantities whose values are defined for arbitrary paths in coordinated region of space in such a way that they contain a complete information on the path. These constructions are considered as elementary path-dependent functions and are used instead of power monomials in the usual Taylor series. Coefficients of such an expansion are interpreted as partial derivatives dependent on the order of the differentiations or else as nonstandard cavariant derivatives called two-point derivatives. Some examples of pathdependent functions are presented.Space curvature tensor is considered whose geometrica properties are determined by the (non-transitive) translator of parallel transport of a general type. Covariant operation leading to the ''extension'' of tensor fiels is pointed out

New results on the proton spin-dependent structure function $g^{p}_{1}$ at COMPASS with $E = 200$ GeV

CERN Document Server

Zemlyanichkina, Elena

2014-01-01

New results of the double spin asymmetry A p 1 and the spin-dependent structure function of the proton g p 1 as a function of x Bj and Q 2 will be presented. New COMPASS data on longitudinal polarized NH 3 target were collected during the year 2011 with a beam of positive muons with energy E = 200 GeV. It allows us to cover low x region down to 0 : 0025 in the range Q 2 > 1 GeV = c 2 for the first time

Functional and planning structures of education institutions areas

OpenAIRE

Соколова, Юлія Віталіївна; Ковальська, Гелена Леонідівна

2014-01-01

The article discusses the main aspects of functional and planning organization of the education institutions. The features of the schools stationing in the city structure and its future extension are also defined. The major functional subdivisions are considered and the role of each of it in the education institution structure is investigated. The ratio of the functional zones depending on the specialization of educational institution is determined. The advantages of the functional zone coope...

Nucleon structure functions, resonance form factors, and duality

International Nuclear Information System (INIS)

Davidovsky, V.V.; Struminsky, B.V.

2003-01-01

The behavior of nucleon structure functions in the resonance region is explored. For form factors that describe resonance production, expressions are obtained that are dependent on the photon virtuality Q 2 , which have a correct threshold behavior, and which take into account available experimental data on resonance decay. Resonance contributions to nucleon structure functions are calculated. The resulting expressions are used to investigate quark-hadron duality in electron-nucleon scattering by taking the example of the structure function F 2

NADP-Dependent Aldehyde Dehydrogenase from Archaeon Pyrobaculum sp.1860: Structural and Functional Features

Directory of Open Access Journals (Sweden)

Ekaterina Yu. Bezsudnova

2016-01-01

Full Text Available We present the functional and structural characterization of the first archaeal thermostable NADP-dependent aldehyde dehydrogenase AlDHPyr1147. In vitro, AlDHPyr1147 catalyzes the irreversible oxidation of short aliphatic aldehydes at 60–85°С, and the affinity of AlDHPyr1147 to the NADP+ at 60°С is comparable to that for mesophilic analogues at 25°С. We determined the structures of the apo form of AlDHPyr1147 (3.04 Å resolution, three binary complexes with the coenzyme (1.90, 2.06, and 2.19 Å, and the ternary complex with the coenzyme and isobutyraldehyde as a substrate (2.66 Å. The nicotinamide moiety of the coenzyme is disordered in two binary complexes, while it is ordered in the ternary complex, as well as in the binary complex obtained after additional soaking with the substrate. AlDHPyr1147 structures demonstrate the strengthening of the dimeric contact (as compared with the analogues and the concerted conformational flexibility of catalytic Cys287 and Glu253, as well as Leu254 and the nicotinamide moiety of the coenzyme. A comparison of the active sites of AlDHPyr1147 and dehydrogenases characterized earlier suggests that proton relay systems, which were previously proposed for dehydrogenases of this family, are blocked in AlDHPyr1147, and the proton release in the latter can occur through the substrate channel.

A class of covariate-dependent spatiotemporal covariance functions

Science.gov (United States)

Reich, Brian J; Eidsvik, Jo; Guindani, Michele; Nail, Amy J; Schmidt, Alexandra M.

2014-01-01

In geostatistics, it is common to model spatially distributed phenomena through an underlying stationary and isotropic spatial process. However, these assumptions are often untenable in practice because of the influence of local effects in the correlation structure. Therefore, it has been of prolonged interest in the literature to provide flexible and effective ways to model non-stationarity in the spatial effects. Arguably, due to the local nature of the problem, we might envision that the correlation structure would be highly dependent on local characteristics of the domain of study, namely the latitude, longitude and altitude of the observation sites, as well as other locally defined covariate information. In this work, we provide a flexible and computationally feasible way for allowing the correlation structure of the underlying processes to depend on local covariate information. We discuss the properties of the induced covariance functions and discuss methods to assess its dependence on local covariate information by means of a simulation study and the analysis of data observed at ozone-monitoring stations in the Southeast United States. PMID:24772199

Orientation-dependent backbone-only residue pair scoring functions for fixed backbone protein design

Directory of Open Access Journals (Sweden)

Bordner Andrew J

2010-04-01

Full Text Available Abstract Background Empirical scoring functions have proven useful in protein structure modeling. Most such scoring functions depend on protein side chain conformations. However, backbone-only scoring functions do not require computationally intensive structure optimization and so are well suited to protein design, which requires fast score evaluation. Furthermore, scoring functions that account for the distinctive relative position and orientation preferences of residue pairs are expected to be more accurate than those that depend only on the separation distance. Results Residue pair scoring functions for fixed backbone protein design were derived using only backbone geometry. Unlike previous studies that used spherical harmonics to fit 2D angular distributions, Gaussian Mixture Models were used to fit the full 3D (position only and 6D (position and orientation distributions of residue pairs. The performance of the 1D (residue separation only, 3D, and 6D scoring functions were compared by their ability to identify correct threading solutions for a non-redundant benchmark set of protein backbone structures. The threading accuracy was found to steadily increase with increasing dimension, with the 6D scoring function achieving the highest accuracy. Furthermore, the 3D and 6D scoring functions were shown to outperform side chain-dependent empirical potentials from three other studies. Next, two computational methods that take advantage of the speed and pairwise form of these new backbone-only scoring functions were investigated. The first is a procedure that exploits available sequence data by averaging scores over threading solutions for homologs. This was evaluated by applying it to the challenging problem of identifying interacting transmembrane alpha-helices and found to further improve prediction accuracy. The second is a protein design method for determining the optimal sequence for a backbone structure by applying Belief Propagation

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Sissay, Adonay [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Lopata, Kenneth, E-mail: klopata@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

International Nuclear Information System (INIS)

Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J.; Lopata, Kenneth

2016-01-01

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Measurement of the spin-dependent structure-functions of the proton and the deuteron

CERN Multimedia

2002-01-01

% NA47 %title \\\\ \\\\The physics motivation of the experiments of the Spin Muon Collaboration is to better understand how the nucleon spin is built-up by its partons and to test the fundamental Bjorken sum rule. \\\\ \\\\The spin-dependent structure functions $g _{1}(x)$ of the proton and the deuteron are determined from the measured cross section asymmetries for deep inelastic scattering of longitudinally polarized muons from longitudinally polarized nucleons. The experiment is similar to the NA2 one of the European Muon Collaboration in which the violation of the Ellis-Jaffe sum rule for the proton was found. \\\\ \\\\The apparatus is the upgraded forward spectrometer which was used originally by the European and New Muon Collaborations. To minimize the systematic uncertainties the target contains two oppositely polarized cells, which were exposed to the muon beam simultaneously. For the experiments in 1991 and 1992 the original EMC polarized target was reinstalled. In 1993 a new polarized target was put into operati...

Microwave dependence of subharmonic gap structure in superconducting junctions

DEFF Research Database (Denmark)

Sørensen, O. Hoffman; Kofoed, Bent; Pedersen, Niels Falsig

1974-01-01

are integers: m=1,2,3,… and n=0,1,2,…. The power dependence of the satellite structure and the microwave-assisted tunneling structure is consistent for all junctions tested with the expression Jn2(m e Vrf / h ν), where Jn(x) is the ordinary Bessel function of order n, Vrf is the amplitude of the induced...

On the twist-2 and twist-3 contributions to the spin-dependent electroweak structure functions

International Nuclear Information System (INIS)

Bluemlein, J.; Kochelev, N.

1997-01-01

The twist-2 and twist-3 contributions of the polarized deep-inelastic structure functions are calculated both for neutral and charged current interactions using the operator product expansion in lowest order in QCD. The relations between the different structure functions are determined. New integral relations are derived between the twist-2 contributions of the structure functions g 3 (x,Q 2 ) and g 5 (x,Q 2 ) and between combinations of the twist-3 contributions to the structure functions g 2 (x,Q 2 ) and g 3 (x,Q 2 ). The sum rules for polarized deep-inelastic scattering are discussed in detail. (orig.)

Structure and function of yeast glutaredoxin 2 depend on postranslational processing and are related to subcellular distribution.

Science.gov (United States)

Porras, Pablo; McDonagh, Brian; Pedrajas, Jose Rafael; Bárcena, J Antonio; Padilla, C Alicia

2010-04-01

We have previously shown that glutaredoxin 2 (Grx2) from Saccharomyces cerevisiae localizes at 3 different subcellular compartments, cytosol, mitochondrial matrix and outer membrane, as the result of different postranslational processing of one single gene. Having set the mechanism responsible for this remarkable phenomenon, we have now aimed at defining whether this diversity of subcellular localizations correlates with differences in structure and function of the Grx2 isoforms. We have determined the N-terminal sequence of the soluble mitochondrial matrix Grx2 by mass spectrometry and have determined the exact cleavage site by Mitochondrial Processing Peptidase (MPP). As a consequence of this cleavage, the mitochondrial matrix Grx2 isoform possesses a basic tetrapeptide extension at the N-terminus compared to the cytosolic form. A functional relationship to this structural difference is that mitochondrial Grx2 displays a markedly higher activity in the catalysis of GSSG reduction by the mitochondrial dithiol dihydrolipoamide. We have prepared Grx2 mutants affected on key residues inside the presequence to direct the protein to one single cellular compartment; either the cytosol, the mitochondrial membrane or the matrix and have analyzed their functional phenotypes. Strains expressing Grx2 only in the cytosol are equally sensitive to H(2)O(2) as strains lacking the gene, whereas those expressing Grx2 exclusively in the mitochondrial matrix are more resistant. Mutations on key basic residues drastically affect the cellular fate of the protein, showing that evolutionary diversification of Grx2 structural and functional properties are strictly dependent on the sequence of the targeting signal peptide. Copyright 2009 Elsevier B.V. All rights reserved.

Recent SLAC measurements of the spin dependent structure functions for the proton and neutron

International Nuclear Information System (INIS)

Zapalac, G.

1995-09-01

The authors present results from SLAC experiments E142 and E143 for the spin dependent structure functions of the proton g 1 p (x, Q 2 ) and neutron g 1 n (x,Q 2 ) measured in deep inelastic scattering of polarized electrons from a polarized target. Experiment E142 measures ∫ 0 1 g 1 n (x)dx = -0.022 ± 0.011 at 2 > = 2 (GeV/c) 2 using a polarized 3 He target. Experiment E143 measures ∫ 0 1 g 1 p (x)dx = 0.129 ± 0.011 at 2 > = 3 (GeV/c) 2 using a polarized NH 3 target. These results are combined at Q 2 = 3 (GeV/c) 2 to yield ∫ 0 1 [g 1 p (x) - g 1 n (x)]dx = 0.151 ± 0.015. The Bjorken sum rule predicts 0.171 ± 0.008

A structural self-regulation of functioning macromolecules

International Nuclear Information System (INIS)

Khristoforov, L.N.

1998-01-01

An approach to describing the functional structural changes of macromolecules processing the flows of low-mass agents is formulated. The latter appear as a source of a discrete noise whose defining parameters depend on structural variables. We derive a forward evolution equation and then, by adiabatic elimination, effective Fokker-Planck's equation for the structural modes. Within the dichotomous case, we discuss noise-induced nonequilibrium phase transitions reflecting the regulatory role of the structural subsystem

Analytical approaches to the determination of spin-dependent parton distribution functions at NNLO approximation

Science.gov (United States)

Salajegheh, Maral; Nejad, S. Mohammad Moosavi; Khanpour, Hamzeh; Tehrani, S. Atashbar

2018-05-01

In this paper, we present SMKA18 analysis, which is a first attempt to extract the set of next-to-next-leading-order (NNLO) spin-dependent parton distribution functions (spin-dependent PDFs) and their uncertainties determined through the Laplace transform technique and Jacobi polynomial approach. Using the Laplace transformations, we present an analytical solution for the spin-dependent Dokshitzer-Gribov-Lipatov-Altarelli-Parisi evolution equations at NNLO approximation. The results are extracted using a wide range of proton g1p(x ,Q2) , neutron g1n(x ,Q2) , and deuteron g1d(x ,Q2) spin-dependent structure functions data set including the most recent high-precision measurements from COMPASS16 experiments at CERN, which are playing an increasingly important role in global spin-dependent fits. The careful estimations of uncertainties have been done using the standard Hessian error propagation. We will compare our results with the available spin-dependent inclusive deep inelastic scattering data set and other results for the spin-dependent PDFs in literature. The results obtained for the spin-dependent PDFs as well as spin-dependent structure functions are clearly explained both in the small and large values of x .

Functional and Structural Brain Changes Associated with Methamphetamine Abuse

Directory of Open Access Journals (Sweden)

Bruce R. Russell

2012-10-01

Full Text Available Methamphetamine (MA is a potent psychostimulant drug whose abuse has become a global epidemic in recent years. Firstly, this review article briefly discusses the epidemiology and clinical pharmacology of methamphetamine dependence. Secondly, the article reviews relevant animal literature modeling methamphetamine dependence and discusses possible mechanisms of methamphetamine-induced neurotoxicity. Thirdly, it provides a critical review of functional and structural neuroimaging studies in human MA abusers; including positron emission tomography (PET and functional and structural magnetic resonance imaging (MRI. The effect of abstinence from methamphetamine, both short- and long-term within the context of these studies is also reviewed.

Structure functions and parton distributions

International Nuclear Information System (INIS)

Olness, F.; Tung, Wu-Ki

1991-04-01

Activities of the structure functions and parton distributions group is summarized. The impact of scheme-dependence of parton distributions (especially sea-quarks and gluons) on the quantitative formulation of the QCD parton model is highlighted. Recent progress on the global analysis of parton distributions is summarized. Issues on the proper use of the next-to-leading parton distributions are stressed

Structure functions and correlations in nuclei

International Nuclear Information System (INIS)

Schiavilla, R.; Lewart, D.S.; Pandharipande, V.R.

1987-01-01

The static longitudinal structure function S l (k) and the static structure function S(k) of 3 H, 3 He and 4 He nuclei and nuclear matter are calculated using realistic wave functions obtained from Faddeev and variational calculations. In order to study the variation of the structure function with the number of particles in the system we also calculate S(k) of atomic helium liquid drops containing 4, 8, 20, 40, 70, 168 and 240 atoms. Monte Carlo integration is used to calculate the structure functions of finite systems, while those of nuclear matter are calculated with chain summation methods. The behaivior of S(k) and S l (k) at small values of k is discussed. We find that the recent Saclay data on S l (k) of the 3 He nucleus are in agreement with theory. Though the data indicate the the existence of correlations between the two protons in the 3 He nucleus, they are not accurate enough to draw interesting conclusions about the repulsive core in the nucleon-nucleon interaction. The structure functions of atomic helium liquid drops indicate a smooth variation of S(k) with the number of atoms in the drop. The S L (k) of the 4 He nucleus and nuclear matter are very similar for k > 1.5 fm -1 , and it appears plausible that S L (k) of nuclei having A > 3 may not depend significantly on A when k > 1.5 fm -1 . (orig.)

Multiscale time-dependent density functional theory: Demonstration for plasmons.

Science.gov (United States)

Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

2017-08-07

Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

The deuteron spin-dependent structure function and its first moment

Czech Academy of Sciences Publication Activity Database

Alexakhin, V. Yu.; Alexandrov, Yu.; Alexeev, G. D.; Alexeev, M.; Amoroso, A.; Badelek, B.; Balestra, F.; Ball, J.; Barth, J.; Baum, G.; Becker, M.; Bedfer, Y.; Bernet, C.; Bertini, R.; Bettinelli, M.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bressan, A.; Brona, G.; Burtin, E.; Bussa, M.P.; Bytchkov, V.N.; Chapiro, A.; Cicuttin, A.; Colantoni, M.; Colavita, A.A.; Costa, S.; Crespo, M.L.; d'Hose, N.; Dalla Torre, S.; Das, S.; Dasgupta, S. S.; De Masi, R.; Dedek, N.; Demchenko, D.; Denisov, O.Yu.; Dhara, L.; Diaz, V.; Dinkelbach, A. M.; Donskov, S.V.; Dorofeev, V. A.; Doshita, N.; Duic, V.; Dunnweber, W.; Efremov, A.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Fauland, P.; Ferrero, A.; Ferrero, L.; Finger, M.; Finger jr., M.; Fischer, H.; Franz, J.; Friedrich, J.M.; Frolov, V.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.P.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gobbo, B.; Goertz, S.; Gorin, A.M.; Grajek, O.A.; Grasso, A.; Grube, B.; Guskov, A.; Haas, F.; Hannappel, J.; von Harrach, D.; Hasegawa, T.; Hedicke, S.; Heinsius, F.H.; Hermann, R.; Hess, C.; Hinterberger, F.; von Hodenberg, M.; Horikawa, N.; Horikawa, S.; Horn, I.; Ilgner, C.; Ioukaev, A.I.; Ivanchin, I.; Ivanov, O.; Iwata, T.; Jahn, R.; Janata, A.; Joosten, R.; Jouravlev, N. I.; Kabuss, E.; Kang, D.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu.A.; Kisselev, Yu.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.H.; Kolosov, V.N.; Komissarov, E.V.; Kondo, K.; Konigsmann, K.; Konorov, I.; Konstantinov, V.F.; Korentchenko, A.S.; Korzenev, A.; Kotzinian, A.M.; Koutchinski, N.A.; Kouznetsov, O.; Kowalik, K.; Kramer, D.; Kravchuk, N.P.; Krivokhizhin, G.V.; Kroumchtein, Z.V.; Kubart, J.; Kuhn, R.; Kukhtin, V.; Kunne, F.; Kurek, K.; Ladygin, M.E.; Lamanna, M.; Le Goff, J.M.; Leberig, M.; Lednev, A.A.; Lehmann, A.; Lichtenstadt, J.; Liska, T.; Ludwig, I.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.K.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Masek, L.; Massmann, F.; Matsuda, T.; Matthia, D.; Maximov, A.N.; Meyer, W.; Mielech, A.; Mikhailov, Yu.V.; Moinester, M.A.; Nagel, T.; Nahle, O.; Nassalski, J.; Neliba, S.; Neyret, D.P.; Nikolaenko, V.I.; Nikolaev, K.; Nozdrin, A.A.; Obraztsov, V. F.; Olshevsky, A.G.; Ostrick, M.; Padee, A.; Pagano, P.; Panebianco, S.; Panzieri, D.; Paul, S.; Peshekhonov, D.V.; Peshekhonov, V.D.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.A.; Pontecorvo, G.; Popov, A.A.; Pretz, J.; Procureur, S.; Quintans, C.; Ramos, S.; Reicherz, G.; Rondio, E.; Rozhdestvensky, A.M.; Ryabchikov, D.; Samoylenko, V.D.; Sandacz, A.; Santos, H.; Sapozhnikov, M.G.; Savin, I.A.; Schiavon, P.; Schill, C.; Schmitt, L.; Schroeder, W.; Seeharsch, D.; Seimetz, M.; Setter, D.; Shevchenko, O.Yu.; Siebert, H.-W.; Silva, L.; Sinha, L.; Sissakian, A.N.; Slunecka, M.; Smirnov, G.I.; Sozzi, F.; Srnka, Aleš; Stinzing, F.; Stolarski, M.; Sugonyaev, V.P.; Sulc, M.; Sulej, R.; Tchalishev, V.V.; Tessaro, S.; Tessarotto, F.; Teufel, A.; Tkatchev, L.G.; Trippel, S.; Venugopal, G.; Virius, M.; Vlassov, N.V.; Webb, R.; Weise, E.; Weitzel, Q.; Windmolders, R.; Wislicki, W.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Zhao, J.; Ziegler, R.; Zvyagin, A.

2007-01-01

Roč. 647, č. 1 (2007), s. 8-17 ISSN 0370-2693 R&D Projects: GA MŠk ME 492 Institutional research plan: CEZ:AV0Z20650511 Keywords : Deep inelastic scattering * Spin * Structure function * QCD analysis * A1 * g1 Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 4.189, year: 2007 http://www.sciencedirect.com/science/article/B6TVN-4MYVG5P-1/2/387d70e7f30fb736514de259c62118d9

Discovery of functional and approximate functional dependencies in relational databases

Directory of Open Access Journals (Sweden)

Ronald S. King

2003-01-01

Full Text Available This study develops the foundation for a simple, yet efficient method for uncovering functional and approximate functional dependencies in relational databases. The technique is based upon the mathematical theory of partitions defined over a relation's row identifiers. Using a levelwise algorithm the minimal non-trivial functional dependencies can be found using computations conducted on integers. Therefore, the required operations on partitions are both simple and fast. Additionally, the row identifiers provide the added advantage of nominally identifying the exceptions to approximate functional dependencies, which can be used effectively in practical data mining applications.

Effective field theory approach to structure functions at small xBj

International Nuclear Information System (INIS)

Nachtmann, O.

2003-01-01

We relate the structure functions of deep inelastic lepton-nucleon scattering to current-current correlation functions in a Euclidean field theory depending on a parameter r. The r-dependent Hamiltonian of the theory is P 0 -(1-r)P 3 , with P 0 the usual Hamiltonian and P 3 the third component of the momentum operator. We show that a small x Bj in the structure functions corresponds to the small r limit of the effective theory. We argue that for r→0 there is a critical regime of the theory where simple scaling relations should hold. We show that in this framework Regge behaviour of the structure functions obtained with the hard pomeron ansatz corresponds to a scaling behaviour of the matrix elements in the effective theory where the intercept of the hard pomeron appears as a critical index. Explicit expressions for various analytic continuations of the structure functions and matrix elements are given as well as path integral representations for the matrix elements in the effective theory. Our aim is to provide a framework for truly non-perturbative calculations of the structure functions at small x Bj for arbitrary Q 2 . (orig.)

FAK dimerization controls its kinase-dependent functions at focal adhesions

KAUST Repository

Brami-Cherrier, Karen; Gervasi, Nicolas; Arsenieva, Diana A.; Walkiewicz, Katarzyna; Boutterin, Marie Claude; Ortega, Á lvaro Darí o; Leonard, Paul G.; Seantier, Bastien; Gasmi, Laï la; Bouceba, Tahar; Kadaré , Gress; Girault -, Jean Antoine; Arold, Stefan T.

2014-01-01

Focal adhesion kinase (FAK) controls adhesion-dependent cell motility, survival, and proliferation. FAK has kinase-dependent and kinase-independent functions, both of which play major roles in embryogenesis and tumor invasiveness. The precise mechanisms of FAK activation are not known. Using x-ray crystallography, small angle x-ray scattering, and biochemical and functional analyses, we show that the key step for activation of FAK's kinase-dependent functions-autophosphorylation of tyrosine-397-requires site-specific dimerization of FAK. The dimers form via the association of the N-terminal FERM domain of FAK and are stabilized by an interaction between FERM and the C-terminal FAT domain. FAT binds to a basic motif on FERM that regulates co-activation and nuclear localization. FAK dimerization requires local enrichment, which occurs specifically at focal adhesions. Paxillin plays a dual role, by recruiting FAK to focal adhesions and by reinforcing the FAT:FERM interaction. Our results provide a structural and mechanistic framework to explain how FAK combines multiple stimuli into a site-specific function. The dimer interfaces we describe are promising targets for blocking FAK activation. © 2014 The Authors.

FAK dimerization controls its kinase-dependent functions at focal adhesions

KAUST Repository

Brami-Cherrier, Karen

2014-01-30

Focal adhesion kinase (FAK) controls adhesion-dependent cell motility, survival, and proliferation. FAK has kinase-dependent and kinase-independent functions, both of which play major roles in embryogenesis and tumor invasiveness. The precise mechanisms of FAK activation are not known. Using x-ray crystallography, small angle x-ray scattering, and biochemical and functional analyses, we show that the key step for activation of FAK\\'s kinase-dependent functions-autophosphorylation of tyrosine-397-requires site-specific dimerization of FAK. The dimers form via the association of the N-terminal FERM domain of FAK and are stabilized by an interaction between FERM and the C-terminal FAT domain. FAT binds to a basic motif on FERM that regulates co-activation and nuclear localization. FAK dimerization requires local enrichment, which occurs specifically at focal adhesions. Paxillin plays a dual role, by recruiting FAK to focal adhesions and by reinforcing the FAT:FERM interaction. Our results provide a structural and mechanistic framework to explain how FAK combines multiple stimuli into a site-specific function. The dimer interfaces we describe are promising targets for blocking FAK activation. © 2014 The Authors.

Using the Hepatitis C Virus RNA-Dependent RNA Polymerase as a Model to Understand Viral Polymerase Structure, Function and Dynamics

Directory of Open Access Journals (Sweden)

Ester Sesmero

2015-07-01

Full Text Available Viral polymerases replicate and transcribe the genomes of several viruses of global health concern such as Hepatitis C virus (HCV, human immunodeficiency virus (HIV and Ebola virus. For this reason they are key targets for therapies to treat viral infections. Although there is little sequence similarity across the different types of viral polymerases, all of them present a right-hand shape and certain structural motifs that are highly conserved. These features allow their functional properties to be compared, with the goal of broadly applying the knowledge acquired from studying specific viral polymerases to other viral polymerases about which less is known. Here we review the structural and functional properties of the HCV RNA-dependent RNA polymerase (NS5B in order to understand the fundamental processes underlying the replication of viral genomes. We discuss recent insights into the process by which RNA replication occurs in NS5B as well as the role that conformational changes play in this process.

A comparison of dependence function estimators in multivariate extremes

KAUST Repository

Vettori, Sabrina; Huser, Raphaë l; Genton, Marc G.

2017-01-01

Various nonparametric and parametric estimators of extremal dependence have been proposed in the literature. Nonparametric methods commonly suffer from the curse of dimensionality and have been mostly implemented in extreme-value studies up to three dimensions, whereas parametric models can tackle higher-dimensional settings. In this paper, we assess, through a vast and systematic simulation study, the performance of classical and recently proposed estimators in multivariate settings. In particular, we first investigate the performance of nonparametric methods and then compare them with classical parametric approaches under symmetric and asymmetric dependence structures within the commonly used logistic family. We also explore two different ways to make nonparametric estimators satisfy the necessary dependence function shape constraints, finding a general improvement in estimator performance either (i) by substituting the estimator with its greatest convex minorant, developing a computational tool to implement this method for dimensions $$D\\ge 2$$D≥2 or (ii) by projecting the estimator onto a subspace of dependence functions satisfying such constraints and taking advantage of Bernstein–Bézier polynomials. Implementing the convex minorant method leads to better estimator performance as the dimensionality increases.

A comparison of dependence function estimators in multivariate extremes

KAUST Repository

Vettori, Sabrina

2017-05-11

Various nonparametric and parametric estimators of extremal dependence have been proposed in the literature. Nonparametric methods commonly suffer from the curse of dimensionality and have been mostly implemented in extreme-value studies up to three dimensions, whereas parametric models can tackle higher-dimensional settings. In this paper, we assess, through a vast and systematic simulation study, the performance of classical and recently proposed estimators in multivariate settings. In particular, we first investigate the performance of nonparametric methods and then compare them with classical parametric approaches under symmetric and asymmetric dependence structures within the commonly used logistic family. We also explore two different ways to make nonparametric estimators satisfy the necessary dependence function shape constraints, finding a general improvement in estimator performance either (i) by substituting the estimator with its greatest convex minorant, developing a computational tool to implement this method for dimensions $$D\\\\ge 2$$D≥2 or (ii) by projecting the estimator onto a subspace of dependence functions satisfying such constraints and taking advantage of Bernstein–Bézier polynomials. Implementing the convex minorant method leads to better estimator performance as the dimensionality increases.

Time-dependent potential-functional embedding theory

International Nuclear Information System (INIS)

Huang, Chen; Libisch, Florian; Peng, Qing; Carter, Emily A.

2014-01-01

We introduce a time-dependent potential-functional embedding theory (TD-PFET), in which atoms are grouped into subsystems. In TD-PFET, subsystems can be propagated by different suitable time-dependent quantum mechanical methods and their interactions can be treated in a seamless, first-principles manner. TD-PFET is formulated based on the time-dependent quantum mechanics variational principle. The action of the total quantum system is written as a functional of the time-dependent embedding potential, i.e., a potential-functional formulation. By exploiting the Runge-Gross theorem, we prove the uniqueness of the time-dependent embedding potential under the constraint that all subsystems share a common embedding potential. We derive the integral equation that such an embedding potential needs to satisfy. As proof-of-principle, we demonstrate TD-PFET for a Na 4 cluster, in which each Na atom is treated as one subsystem and propagated by time-dependent Kohn-Sham density functional theory (TDDFT) using the adiabatic local density approximation (ALDA). Our results agree well with a direct TDDFT calculation on the whole Na 4 cluster using ALDA. We envision that TD-PFET will ultimately be useful for studying ultrafast quantum dynamics in condensed matter, where key regions are solved by highly accurate time-dependent quantum mechanics methods, and unimportant regions are solved by faster, less accurate methods

Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures.

Science.gov (United States)

Ryou, Junga; Park, Jinwoo; Kim, Gunn; Hong, Suklyun

2017-06-21

Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the Γ point, whereas those at the X point show the original ones of the defect-free N-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.

An impedance function approach for soil-structure interaction analyses including structure-to-structure interaction effects

International Nuclear Information System (INIS)

Gantayat, A.; Kamil, H.

1981-01-01

The dynamic soil-structure and structure-to-structure interaction effects may be determined in one of the two ways: by modeling the entire soil-structure system by a finite-element model, or by using a frequency-dependent (or frequency-independent) impedance function approach. In seismic design of nuclear power plant structures, the normal practice is to use the first approach because of its simplicity and easy availability of computer codes to perform such analyses. However, in the finite-element approach, because of the size and cost restrictions, the three-dimensional behavior of the entire soil-structure system and the radiation damping in soil are only approximately included by using a two-dimensional finite-element mesh. In using the impedance function approach, the soil-structure analyses can be performed in four steps: (a) determination of the dynamic properties of the fixed base superstructure, (b) determination of foundation and structure impedance matrices and input motions, (c) evaluation of foundation motion, (d) analysis of the fixed base superstructure using computed foundation motion. (orig./RW)

Detailed measurements of structure functions from nucleons and nuclei

CERN Multimedia

2002-01-01

The experiment will study deep inelastic muon nucleon scattering in a wide range of $Q^{2}$(1-200 (GeV/c)$^{2}$) and $x(0.005-0.75)$. The main aims of the experiment are: \\\\\\\\ a) Detailed measurements of the nuclear dependence of the structure function $F_{2}^{A}$, of $R = \\sigma_/\\sigma_{T}$ and of the cross-section for $J/\\psi$ production. They will provide a basis for the understanding of the EMC effect: the modification of quark and gluon distributions due to the nuclear environment. \\\\b) A simultaneous high luminosity measurement of the structure function $F_{2}$ on hydrogen and deuterium. This will provide substantially improved accuracy in the knowledge of the neutron structure function $F_{2}^{n}$, of $F_{2}^{p}-F_{2}^{n}$ and $F_{2}^{n}/F_{2}^{p}$ and their $Q^{2}$ dependence. Furthermore, the data will allow a determination of the strong coupling constant $\\alpha_{S}(Q^{2})$ with reduced experimental and theoretical uncertainties as well as of the ratio of the down to up quark distributions in the v...

A dependent stress-strength interference model based on mixed copula function

Energy Technology Data Exchange (ETDEWEB)

Gao, Jian Xiong; An, Zong Wen; Liu, Bo [School of Mechatronics Engineering, Lanzhou University of Technology, Lanzhou (China)

2016-10-15

In the traditional Stress-strength interference (SSI) model, stress and strength must satisfy the basic assumption of mutual independence. However, a complex dependence between stress and strength exists in practical engineering. To evaluate structural reliability under the case that stress and strength are dependent, a mixed copula function is introduced to a new dependent SSI model. This model can fully characterize the dependence between stress and strength. The residual square sum method and genetic algorithm are also used to estimate the unknown parameters of the model. Finally, the validity of the proposed model is demonstrated via a practical case. Results show that traditional SSI model ignoring the dependence between stress and strength more easily overestimates product reliability than the new dependent SSI model.

Factor structure of functional state of primary school age children

Directory of Open Access Journals (Sweden)

Davidenko O.V.

2011-02-01

Full Text Available The examination of primary school children to determine the ranking of significant factors that determine the structure of their functional state depending on the level of physical health. It is shown that the main factor in the structure of the functional state of younger schoolchildren in low-and lower-middle level of physical fitness is selected morpho-functional status, which characterizes the functions of the body at rest. For children with average or above average level of physical fitness is a leading factor in physical fitness of schoolchildren.

Chewing Maintains Hippocampus-Dependent Cognitive Function.

Science.gov (United States)

Chen, Huayue; Iinuma, Mitsuo; Onozuka, Minoru; Kubo, Kin-Ya

2015-01-01

Mastication (chewing) is important not only for food intake, but also for preserving and promoting the general health. Recent studies have showed that mastication helps to maintain cognitive functions in the hippocampus, a central nervous system region vital for spatial memory and learning. The purpose of this paper is to review the recent progress of the association between mastication and the hippocampus-dependent cognitive function. There are multiple neural circuits connecting the masticatory organs and the hippocampus. Both animal and human studies indicated that cognitive functioning is influenced by mastication. Masticatory dysfunction is associated with the hippocampal morphological impairments and the hippocampus-dependent spatial memory deficits, especially in elderly. Mastication is an effective behavior for maintaining the hippocampus-dependent cognitive performance, which deteriorates with aging. Therefore, chewing may represent a useful approach in preserving and promoting the hippocampus-dependent cognitive function in older people. We also discussed several possible mechanisms involved in the interaction between mastication and the hippocampal neurogenesis and the future directions for this unique fascinating research.

Trans-acting RNAs as molecular probes for monitoring time-dependent structural change of an RNA complex adapting two structures.

Science.gov (United States)

Maeda, Yuri; Furuta, Hiroyuki; Ikawa, Yoshiya

2011-03-01

As dynamic structural changes are pivotal for the functions of some classes of RNA molecule, it is important to develop methods to monitor structural changes in RNA in a time-dependent manner without chemical modification. Based on previous reports that trans-acting RNAs can be used as probes for analysis and control of 3D structures of target RNAs, we applied this method to monitor time-dependent structural changes in RNA. We designed and performed a proof-of-principle study using a simple model RNA complex that adopts two different structures as a target. The time-dependent structural changes in the target RNA were successfully monitored using two trans-acting RNAs, which stably form a ternary complex with the bimolecular target RNA and act as a catalyst to join two RNA fragments of the target complex, respectively. Copyright © 2010 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Structure functions of nucleons and nuclei

Energy Technology Data Exchange (ETDEWEB)

Bentz, Wolfgang; Ito, Takuya [Department of Physics, Tokai University, Kanagawa (Japan); Cloet, Ian [Department of Physics, University of Washington, Seattle (United States); Thomas, Anthony [Jefferson Lab., Newport News, VA (United States); Yazaki, Koichi [RIKEN, Wako-shi, Saitama (Japan)

2009-07-01

We use an effective chiral quark theory to calculate the quark distributions and structure functions of nucleons and nuclei. The description of the single nucleon is based on the Faddeev framework, and nuclear systems are described in the mean field approximation. Particular amphasis is put on the prediction of the polarized EMC effect in nuclei, and on applications to deep inelastic neutrino-nucleus scattering. Concerning the polarized EMC effect, we discuss the quenching of the quark spin sum in nuclei and its implications for the spin dependent nuclear structure functions, and present results for several nuclei where an experimental observation is feasible. Concerning the case of deep inelastic neutrino-nucleus scattering, we estimate the effect of medium modifications of the quark distribution functions on the measured cross sections, and discuss an interesting resolution of the so called NuTeV anomaly. Finally, we discuss extensions of our model to describe fragmentation functions for semi-inclusive processes. The connection between our effective quark model description and the jet model of Field and Feynman is discussed.

Specifying Functional Requirements Dependency in the REWiki

OpenAIRE

ZHANG, ZHANG

2013-01-01

Most of the individual requirements cannot be treated in isolation. Requirements may affect each other in various ways. The dependency between requirements impacts a number of software development aspects and activities. How to classify and specify requirements dependency remains a classic research topic. This research aims at providing an approach of specifying functional requirements dependency. In this thesis we generalize a classification of functional requirements dependency. We also pro...

The enzymes of biotin dependent CO2 metabolism: What structures reveal about their reaction mechanisms

Science.gov (United States)

Waldrop, Grover L; Holden, Hazel M; Maurice, Martin St

2012-01-01

Biotin is the major cofactor involved in carbon dioxide metabolism. Indeed, biotin-dependent enzymes are ubiquitous in nature and are involved in a myriad of metabolic processes including fatty acid synthesis and gluconeogenesis. The cofactor, itself, is composed of a ureido ring, a tetrahydrothiophene ring, and a valeric acid side chain. It is the ureido ring that functions as the CO2 carrier. A complete understanding of biotin-dependent enzymes is critically important for translational research in light of the fact that some of these enzymes serve as targets for anti-obesity agents, antibiotics, and herbicides. Prior to 1990, however, there was a dearth of information regarding the molecular architectures of biotin-dependent enzymes. In recent years there has been an explosion in the number of three-dimensional structures reported for these proteins. Here we review our current understanding of the structures and functions of biotin-dependent enzymes. In addition, we provide a critical analysis of what these structures have and have not revealed about biotin-dependent catalysis. PMID:22969052

On the behaviour of the hadronic structure functions at x → 1

International Nuclear Information System (INIS)

Grigoryan, S.G.; Yesaybegyan, S.B.; Ter-Isaakyan, N.L.

1977-01-01

The hadronic structure functions are studied in quarkgluon model (when x=q 2 /2pq → 1, where q is the quark transferred momentum, p is the hadron momentum). For baryon octet the relations between structure functions depending on quark mass are obtained. For LAMBDA and Ψ hyperons strange quark contribution dominates at x → 1. In the case of Σ hyperons the contributions of U and S quarks are nearly of the same order. The average transverse momentum of quark with x approximately 1 turns out to be = 6 msup(2), where m is quark mass. For tne n quark bound state the behaviour of structure functions for odd n and for even n are obtained. The dependence of structure functions on the polarization of the initial particle is also analyzed. It is shown that the Λ hyperon helicity reache 3O % while for the Σ + hyperon this magnitude is equal to 15 %

Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

Energy Technology Data Exchange (ETDEWEB)

Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

2013-07-01

Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

Nonlinear structure formation with the environmentally dependent dilaton

International Nuclear Information System (INIS)

Brax, Philippe; Bruck, Carsten van de; Davis, Anne-Christine; Shaw, Douglas J.; Li, Baojiu

2011-01-01

We have studied the nonlinear structure formation of the environmentally dependent dilaton model using N-body simulations. We find that the mechanism of suppressing the scalar fifth force in high-density regions works very well. Within the parameter space allowed by the solar-system tests, the dilaton model predicts small deviations of the matter power spectrum and the mass function from their ΛCDM counterparts. The importance of taking full account of the nonlinearity of the model is also emphasized.

Solving crystal structures with the symmetry minimum function

International Nuclear Information System (INIS)

Estermann, M.A.

1995-01-01

Unravelling the Patterson function (the auto-correlation function of the crystal structure) (A.L. Patterson, Phys. Rev. 46 (1934) 372) can be the only way of solving crystal structures from neutron and incomplete diffraction data (e.g. powder data) when direct methods for phase determination fail. The negative scattering lengths of certain isotopes and the systematic loss of information caused by incomplete diffraction data invalidate the underlying statistical assumptions made in direct methods. In contrast, the Patterson function depends solely on the quality of the available diffraction data. Simpson et al. (P.G. Simpson et al., Acta Crystallogr. 18 (1965) 169) showed that solving a crystal structure with a particular superposition of origin-shifted Patterson functions, the symmetry minimum function, is advantageous over using the Patterson function alone, for single-crystal X-ray data.This paper describes the extension of the Patterson superposition approach to neutron data and powder data by (a) actively using the negative regions in the Patterson map caused by negative scattering lengths and (b) using maximum entropy Patterson maps (W.I.F. David, Nature 346 (1990) 731). Furthermore, prior chemical knowledge such as bond lengths and angles from known fragments have been included. Two successful structure solutions of a known and a previously unknown structure (M. Hofmann, J. Solid State Chem., in press) illustrate the potential of this new development. ((orig.))

Electron-beam induced structural and function change of microbial peroxiredoxin

Energy Technology Data Exchange (ETDEWEB)

Hong, S. H.; An, B. C.; Lee, S. S.; Lee, E. M.; Chung, B. Y. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-03-15

Pseudomonas aerogenes peroxiredoxin (PaPrx) has dual functions acting as thioredoxin (Trx)-dependent peroxidase and molecular chaperone. The function of PaPrx is controlled by its structural status. In this study, we examined the effect of electron beam on structural modification related to chaperone activity. When irradiated electron beam at 1 kGy, the structural and functional changes of PaPrx were initiated. The enhanced chaperone activity was increased about 3- 40 4-fold at 2 kGy compared with non-irradiated, while the peroxidase activity was decreased. We also investigated the influence of the electron beam on protein physical property factors such as hydrophobicity and secondary structure. The exposure of hydrophobic domains reached a peak at 2 kGy of electron beam and then dose-dependently decreased with increasing electron beam irradiation. In addition, the electron beam irradiated PaPrx significantly increased exposure of {beta}-sheet and random coil elements on the protein surface whereas exposure of {alpha}-helix and turn elements was decreased. Our results suggest that highly enhanced chaperone activity could be applied to use in bio-engineering system and various industrial applications.

Electron-beam induced structural and function change of microbial peroxiredoxin

International Nuclear Information System (INIS)

Hong, S. H.; An, B. C.; Lee, S. S.; Lee, E. M.; Chung, B. Y.

2012-01-01

Pseudomonas aerogenes peroxiredoxin (PaPrx) has dual functions acting as thioredoxin (Trx)-dependent peroxidase and molecular chaperone. The function of PaPrx is controlled by its structural status. In this study, we examined the effect of electron beam on structural modification related to chaperone activity. When irradiated electron beam at 1 kGy, the structural and functional changes of PaPrx were initiated. The enhanced chaperone activity was increased about 3- 40 4-fold at 2 kGy compared with non-irradiated, while the peroxidase activity was decreased. We also investigated the influence of the electron beam on protein physical property factors such as hydrophobicity and secondary structure. The exposure of hydrophobic domains reached a peak at 2 kGy of electron beam and then dose-dependently decreased with increasing electron beam irradiation. In addition, the electron beam irradiated PaPrx significantly increased exposure of β-sheet and random coil elements on the protein surface whereas exposure of α-helix and turn elements was decreased. Our results suggest that highly enhanced chaperone activity could be applied to use in bio-engineering system and various industrial applications

Predictors of functional dependency after stroke in Nigeria.

Science.gov (United States)

Ojagbemi, Akin; Owolabi, Mayowa

2013-11-01

The factors impacting poststroke functional dependency have not been adequately explored in sub-Saharan Africa. This study examined the risk factors for functional dependency in a group of Nigerian African stroke survivors. One hundred twenty-eight stroke survivors attending a tertiary general hospital in southwestern Nigeria were consecutively recruited and assessed for functional dependency using the modified Rankin Scale (mRS). Stroke was diagnosed according to the World Health Organization criteria. Candidate independent variables assessed included the demographic and clinical characteristics of survivors, cognitive dysfunction, and a diagnosis of major depressive disorder. Variables with significant relationship to functional dependency were entered into a logistic regression model to identify factors that were predictive of functional dependency among the stroke survivors. In all, 60.9% of the stroke survivors were functionally dependent (mRS scores≥3), with mean±SD mRS scores of 2.71±1.01. Female sex (P=.003; odds ratio [OR] 3.08; 95% confidence interval [CI] 1.47-6.44), global cognitive dysfunction (P=.002; OR 5.04; 95% CI 1.79-14.16), and major depressive disorder (Pdependency in univariate analysis. Major depressive disorder was an independent predictor of functional dependency in multivariate analysis (P<.0001; OR 6.89; 95% CI 2.55-18.6; R2=0.19). Depression, female sex, and cognitive dysfunction were strongly associated with poorer functioning after stroke. Interventions aimed at depression and cognitive dysfunction after stroke may improve functional independence in stroke survivors. Copyright © 2013 National Stroke Association. Published by Elsevier Inc. All rights reserved.

Conflict between object structural and functional affordances in peripersonal space.

Science.gov (United States)

Kalénine, Solène; Wamain, Yannick; Decroix, Jérémy; Coello, Yann

2016-10-01

Recent studies indicate that competition between conflicting action representations slows down planning of object-directed actions. The present study aims to assess whether similar conflict effects exist during manipulable object perception. Twenty-six young adults performed reach-to-grasp and semantic judgements on conflictual objects (with competing structural and functional gestures) and non-conflictual objects (with similar structural and functional gestures) presented at difference distances in a 3D virtual environment. Results highlight a space-dependent conflict between structural and functional affordances. Perceptual judgments on conflictual objects were slower that perceptual judgments on non-conflictual objects, but only when objects were presented within reach. Findings demonstrate that competition between structural and functional affordances during object perception induces a processing cost, and further show that object position in space can bias affordance competition. Copyright © 2016 Elsevier B.V. All rights reserved.

On the Soft Limit of the Large Scale Structure Power Spectrum: UV Dependence

CERN Document Server

Garny, Mathias; Porto, Rafael A; Sagunski, Laura

2015-01-01

We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agr...

Functional evolution and structural conservation in chimeric cytochromes p450: calibrating a structure-guided approach.

Science.gov (United States)

Otey, Christopher R; Silberg, Jonathan J; Voigt, Christopher A; Endelman, Jeffrey B; Bandara, Geethani; Arnold, Frances H

2004-03-01

Recombination generates chimeric proteins whose ability to fold depends on minimizing structural perturbations that result when portions of the sequence are inherited from different parents. These chimeric sequences can display functional properties characteristic of the parents or acquire entirely new functions. Seventeen chimeras were generated from two CYP102 members of the functionally diverse cytochrome p450 family. Chimeras predicted to have limited structural disruption, as defined by the SCHEMA algorithm, displayed CO binding spectra characteristic of folded p450s. Even this small population exhibited significant functional diversity: chimeras displayed altered substrate specificities, a wide range in thermostabilities, up to a 40-fold increase in peroxidase activity, and ability to hydroxylate a substrate toward which neither parent heme domain shows detectable activity. These results suggest that SCHEMA-guided recombination can be used to generate diverse p450s for exploring function evolution within the p450 structural framework.

Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.

Science.gov (United States)

Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht

2013-09-21

The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.

Shaping inhibition: activity dependent structural plasticity of GABAergic synapses

Directory of Open Access Journals (Sweden)

Carmen E Flores

2014-10-01

Full Text Available Inhibitory transmission through the neurotransmitter Ɣ-aminobutyric acid (GABA shapes network activity in the mammalian cerebral cortex by filtering synaptic incoming information and dictating the activity of principal cells. The incredibly diverse population of cortical neurons that use GABA as neurotransmitter shows an equally diverse range of mechanisms that regulate changes in the strength of GABAergic synaptic transmission and allow them to dynamically follow and command the activity of neuronal ensembles. Similarly to glutamatergic synaptic transmission, activity-dependent functional changes in inhibitory neurotransmission are accompanied by alterations in GABAergic synapse structure that range from morphological reorganization of postsynaptic density to de novo formation and elimination of inhibitory contacts. Here we review several aspects of structural plasticity of inhibitory synapses, including its induction by different forms of neuronal activity, behavioral and sensory experience and the molecular mechanisms and signaling pathways involved. We discuss the functional consequences of GABAergic synapse structural plasticity for information processing and memory formation in view of the heterogenous nature of the structural plasticity phenomena affecting inhibitory synapses impinging on somatic and dendritic compartments of cortical and hippocampal neurons.

High spin structure functions

International Nuclear Information System (INIS)

Khan, H.

1990-01-01

This thesis explores deep inelastic scattering of a lepton beam from a polarized nuclear target with spin J=1. After reviewing the formation for spin-1/2, the structure functions for a spin-1 target are defined in terms of the helicity amplitudes for forward compton scattering. A version of the convolution model, which incorporates relativistic and binding energy corrections is used to calculate the structure functions of a neutron target. A simple parameterization of these structure functions is given in terms of a few neutron wave function parameters and the free nucleon structure functions. This allows for an easy comparison of structure functions calculated using different neutron models. (author)

A multi-angular mass spectrometric view at cyclic nucleotide signaling proteins : Structure/function and protein interactions of cAMP- and cGMP-dependent protein kinase

NARCIS (Netherlands)

Scholten, A.

2006-01-01

The primary focus of this thesis is the two kinases PKA and PKG, cAMP and cGMP dependent protein kinase respectively. PKA and PKG are studied both at structure/function level as well as at the level of interaction with other proteins in tissue. Our primary methods are all based on mass spectrometry.

On relation of momenta of structure functions of the composite systems with their simultaneous wave functions

International Nuclear Information System (INIS)

Linkevich, A.D.; Savrin, V.I.; Sanadze, V.V.; Skachkov, N.B.

1984-01-01

Calculation of hadron structure function (SF) comprising point objects is carried out. The obtained hadron SF is expressed by means of simultaneous relativistic wave functions of a composite particle. Exact calculation of hadron SF momenta in simultaneous formulation of quantum field theory off-energy surface is conducted. The given calculation of hadron SF is shown to result in their dependence on momentum transferred square (or square of total vector of energy-momentum of Compton scattering on a quark) whih is determined by the set of simultaneous hadron wave functions as bound state of quark (partons) in the considered case of non-structural quarks

Photon structure function

International Nuclear Information System (INIS)

Bardeen, W.A.

1980-11-01

Theoretical understanding of the photon structure function is reviewed. As an illustration of the pointlike component, the parton model is briefly discussed. However, the systematic study of the photon structure function is presented through the framework of the operator product expansion. Perturbative QCD is used as the theoretical basis for the calculation of leading contributions to the operator product expansion. The influence of higher order QCD effects on these results is discussed. Recent results for the polarized structure functions are discussed

Surface structure of polymer Gels and emerging functions

CERN Document Server

Kobiki, Y

1999-01-01

We report the surface structure of polymer gels on a submicrometer scale during the volume phase transition. Sponge-like domains with a mesoscopic scale were directly observed in water by using at atomic force microscope (AFM). The surface structure characterized by the domains is discussed in terms of the root-mean-square roughness and the auto-correlation function, which were calculated from the AFM images. In order to demonstrate the role of surface structure in determining the macroscopic properties of film-like poly (N-isopropylacrylamide: NIPA) gels. It was found that the temperature dependence, as well as the absolute values of the static contact angle, were strongly dependent on the bulk network inhomogeneities. The relation between the mesoscopic structure and the macroscopic properties is qualitatively discussed in terms of not only the changes in the chemical, but also in the physical, surface properties of the NIPA gels in response to a temperature change.

Structure-Function Network Mapping and Its Assessment via Persistent Homology

Science.gov (United States)

2017-01-01

Understanding the relationship between brain structure and function is a fundamental problem in network neuroscience. This work deals with the general method of structure-function mapping at the whole-brain level. We formulate the problem as a topological mapping of structure-function connectivity via matrix function, and find a stable solution by exploiting a regularization procedure to cope with large matrices. We introduce a novel measure of network similarity based on persistent homology for assessing the quality of the network mapping, which enables a detailed comparison of network topological changes across all possible thresholds, rather than just at a single, arbitrary threshold that may not be optimal. We demonstrate that our approach can uncover the direct and indirect structural paths for predicting functional connectivity, and our network similarity measure outperforms other currently available methods. We systematically validate our approach with (1) a comparison of regularized vs. non-regularized procedures, (2) a null model of the degree-preserving random rewired structural matrix, (3) different network types (binary vs. weighted matrices), and (4) different brain parcellation schemes (low vs. high resolutions). Finally, we evaluate the scalability of our method with relatively large matrices (2514x2514) of structural and functional connectivity obtained from 12 healthy human subjects measured non-invasively while at rest. Our results reveal a nonlinear structure-function relationship, suggesting that the resting-state functional connectivity depends on direct structural connections, as well as relatively parsimonious indirect connections via polysynaptic pathways. PMID:28046127

Covariant boost and structure functions of baryons in Gross-Neveu models

International Nuclear Information System (INIS)

Brendel, Wieland; Thies, Michael

2010-01-01

Baryons in the large N limit of two-dimensional Gross-Neveu models are reconsidered. The time-dependent Dirac-Hartree-Fock approach is used to boost a baryon to any inertial frame and shown to yield the covariant energy-momentum relation. Momentum distributions are computed exactly in arbitrary frames and used to interpolate between the rest frame and the infinite momentum frame, where they are related to structure functions. Effects from the Dirac sea depend sensitively on the occupation fraction of the valence level and the bare fermion mass and do not vanish at infinite momentum. In the case of the kink baryon, they even lead to divergent quark and antiquark structure functions at x=0.

Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations

International Nuclear Information System (INIS)

Schmidt, Norman; Fink, Rainer; Hieringer, Wolfgang

2010-01-01

The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the framework of a combined experimental and theoretical study. We employ time-dependent density-functional theory (TDDFT) to compute the NEXAFS spectra of the open- and closed-shell metalloporphyrins CoTPP and ZnTPP as well as the free-base 2HTPP in realistic nonplanar conformations. Using Becke's well-known half-and-half hybrid functional, the computed core excitation spectra are mostly in good agreement with the experimental data in the low-energy region below the appropriate ionization threshold. To make these calculations feasible, we apply a new, simple scheme based on TDDFT using a modified single-particle input spectrum. This scheme is very easy to implement in standard codes and allows one to compute core excitation spectra at a similar cost as ordinary UV/vis spectra even for larger molecules. We employ these calculations for a detailed assignment of the NEXAFS spectra including subtle shifts in certain peaks of the N 1s spectra, which depend on the central coordination of the TPP ligand. We furthermore assign the observed NEXAFS resonances to the individual molecular subunits of the investigated TPP molecules.

Functional Role of Cyclin-Dependent Kinase 5 in the Regulation of Melanogenesis and Epidermal Structure.

Science.gov (United States)

Dong, Changsheng; Yang, Shanshan; Fan, Ruiwen; Ji, Kaiyuan; Zhang, Junzhen; Liu, Xuexian; Hu, Shuaipeng; Xie, Jianshan; Liu, Yu; Gao, Wenjun; Wang, Haidong; Yao, Jianbo; Smith, George W; Herrid, Muren

2017-10-23

The mammalian integumentary system plays important roles in body homeostasis, and dysfunction of melanogenesis or epidermal development may lead to a variety of skin diseases, including melanoma. Skin pigmentation in humans and coat color in fleece-producing animals are regulated by many genes. Among them, microphthalmia-associated transcription factor (MITF) and paired-box 3 (PAX3) are at the top of the cascade and regulate activities of many important melanogenic enzymes. Here, we report for the first time that cyclin-dependent kinase 5 (Cdk5) is an essential regulator of MITF and PAX3. Cdk5 knockdown in mice causes a lightened coat color, a polarized distribution of melanin and hyperproliferation of basal keratinocytes. Reduced expression of Keratin 10 (K10) resulting from Cdk5 knockdown may be responsible for an abnormal epidermal structure. In contrast, overexpression of Cdk5 in sheep (Ovis aries) only produces brown patches on a white background, with no other observable abnormalities. Collectively, our findings show that Cdk5 has an important functional role in the regulation of melanin production and transportation and in normal development of the integumentary system.

Enhancing the functionality of photovoltaic and photonic biointerfaces through structuration

OpenAIRE

Wenzel, Tobias

2017-01-01

This two-part thesis focuses on biointerfaces of two different biological systems. It specifically examines the interplay of structure and functionality in these biointerfaces. Part one studies photo-bio-electrochemically active bacteria and the strong dependence of their electrical current generation on electrode structure and pigment organisation. Part two uncovers surprising design principles of photonic structures on flower petals and presents research tools to study disordered optical sy...

THE STRUCTURE AND FUNCTION OF DEPARTMENTS OF MEDICINE.

Science.gov (United States)

Landefeld, C Seth

2016-01-01

The structure and function of departments of medicine are important for several reasons. First, departments of medicine are the biggest departments in virtually every medical school and in most universities with a medical school, and they are the largest professional units in most academic medical centers. In fact, Petersdorf described them as "the linchpins of medical schools" (1). Departments of medicine account for one-fourth or more of the academic medical enterprise: they include about one-fourth of the faculty of medical school, account for roughly one-fourth of the patient care and clinical revenue of academic medical centers, and their faculty perform a disproportionate share of teaching and research, accounting for up to 45% of National Institutes of Health (NIH) - funded research in some medical schools. Second, the department's ability to fulfill its role and advance its mission depends on its structure and function. Finally, lessons learned from examining the structure and function of departments of medicine may guide other departments and schools of medicine themselves in improving their structure and function. This paper describes the issues that face departments of medicine in 2016. I begin by providing the context for these issues with a definition of a department of medicine, describing briefly the history of departments, and stating their mission.

Multi-functional composite structures

Science.gov (United States)

Mulligan, Anthony C.; Halloran, John; Popovich, Dragan; Rigali, Mark J.; Sutaria, Manish P.; Vaidyanathan, K. Ranji; Fulcher, Michael L.; Knittel, Kenneth L.

2004-10-19

Fibrous monolith processing techniques to fabricate multifunctional structures capable of performing more than one discrete function such as structures capable of bearing structural loads and mechanical stresses in service and also capable of performing at least one additional non-structural function.

Transverse Momentum Dependent Parton Distribution Functions through SIDIS and Drell-Yan at COMPASS

CERN Document Server

AUTHOR|(CDS)2079419; Ramos, Sérgio; Quintans, Catarina

The spin structure of the nucleon has been studied at the COMPASS experiment at CERN. The Semi-Inclusive Deep Inelastic Scattering (SIDIS) measurements are a powerful tool to access the Parton Distribution Functions (PDFs) and the Transverse Momentum Dependent Parton Distribution Functions (TMD PDFs). The COMPASS polarised target gives the opportunity to measure the azimuthal modulations depending on the spin orientation and the extraction of the transverse spin asymmetries, which are convolutions of TMD PDFs of the nucleon and Fragmentation Functions (FF). The analysis of these data is done in several kinematic bins, which provides a vast input for the theoreticians to extract the TMDs and the FFs and their kinematic dependence. The TMD PDFs are also accessible through the measurement of the Drell-Yan process, in this case the transverse spin asymmetries are convolutions of two TMD PDFs, one corresponding to the annihilating quark from the beam hadron and the other to the annihilating quark from the target h...

Altered resting brain function and structure in professional badminton players.

Science.gov (United States)

Di, Xin; Zhu, Senhua; Jin, Hua; Wang, Pin; Ye, Zhuoer; Zhou, Ke; Zhuo, Yan; Rao, Hengyi

2012-01-01

Neuroimaging studies of professional athletic or musical training have demonstrated considerable practice-dependent plasticity in various brain structures, which may reflect distinct training demands. In the present study, structural and functional brain alterations were examined in professional badminton players and compared with healthy controls using magnetic resonance imaging (MRI) and resting-state functional MRI. Gray matter concentration (GMC) was assessed using voxel-based morphometry (VBM), and resting-brain functions were measured by amplitude of low-frequency fluctuation (ALFF) and seed-based functional connectivity. Results showed that the athlete group had greater GMC and ALFF in the right and medial cerebellar regions, respectively. The athlete group also demonstrated smaller ALFF in the left superior parietal lobule and altered functional connectivity between the left superior parietal and frontal regions. These findings indicate that badminton expertise is associated with not only plastic structural changes in terms of enlarged gray matter density in the cerebellum, but also functional alterations in fronto-parietal connectivity. Such structural and functional alterations may reflect specific experiences of badminton training and practice, including high-capacity visuo-spatial processing and hand-eye coordination in addition to refined motor skills.

The nuclear structure dependence of (p,α) reactions on light nuclei

International Nuclear Information System (INIS)

Leitner, W.

1985-01-01

As the theoretical predictions on nuclear structure and on nucleon-nucleon correlations implied by the nuclear wave functions are not subject to an immediate experimental verification the authors require a reaction theory connecting these state functions with observable quantities. The application of (rho,α) reactions as a spectroscopic tool has found widespread interest, as a number of microscopic descriptions of the reaction mechanism have facilitated the extraction of nuclear structure information. A microscopic formulation results in a strong dependence of the cross section on the nuclear structure of the reaction partners. The different basic configurations of the transferred nucleon system contribute coherently, thus causing a great sensitivity to the relative phases of the wave functions' amplitudes. A major disadvantage inherent to these microscopic theories of multinucleon-transfer reactions is based on the destruction of the transition amplitude's formal symmetry in the dynamic and in the nuclear structure part. In order to retain the factorization of the reaction amplitude, the authors applied the cluster ansatz to the microscopic theory of an earlier studies. The attractive features of this procedure are the conservation of the coherence properties of the structure term and the straightforward determination of transition strengths, independent of an elaborate DWBA treatment

Decoupling of the Leading Order DGLAP Evolution Equation with Spin Dependent Structure Functions

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Azadbakht, F. Teimoury; Boroun, G. R.

2018-02-01

We propose an analytical solution for DGLAP evolution equations with polarized splitting functions at the Leading Order (LO) approximation based on the Laplace transform method. It is shown that the DGLAP evolution equations can be decoupled completely into two second order differential equations which then are solved analytically by using the initial conditions δ FS(x,Q2)=F[partial δ FS0(x), δ FS0(x)] and {δ G}(x,Q2)=G[partial δ G0(x), δ G0(x)]. We used this method to obtain the polarized structure function of the proton as well as the polarized gluon distribution function inside the proton and compared the numerical results with experimental data of COMPASS, HERMES, and AAC'08 Collaborations. It was found that there is a good agreement between our predictions and the experiments.

Unpolarized Structure Functions

International Nuclear Information System (INIS)

Christy, M.E.; Melnitchouk, W.

2011-01-01

Over the past decade measurements of unpolarized structure functions with unprecedented precision have significantly advanced our knowledge of nucleon structure. These have for the first time allowed quantitative tests of the phenomenon of quark-hadron duality, and provided a deeper understanding of the transition from hadron to quark degrees of freedom in inclusive scattering. Dedicated Rosenbluth-separation experiments have yielded high-precision transverse and longitudinal structure functions in regions previously unexplored, and new techniques have enabled the first glimpses of the structure of the free neutron, without contamination from nuclear effects.

Leading twist moments of the neutron structure function F_2n

Energy Technology Data Exchange (ETDEWEB)

M. Osipenko; W. Melnitchouk; S. Simula; S. Kulagin; G. Ricco

2005-10-20

We perform a global analysis of neutron $F_2^n$ structure function data, obtained by combining proton and deuteron measurements over a large range of kinematics. From these data the lowest moments ($n \\leq 10$) of the leading twist neutron $F_2^n$ structure function are extracted. Particular attention is paid to nuclear effects in the deuteron, which become increasingly important for the higher moments. Our results for the nonsinglet, isovector $p - n$ combination of the leading twist moments are compared with those of available lattice simulations. We also determine the lowest few moments of the higher twist contributions, obtained by subtracting the leading twist from the total structure function, and analyze their isospin dependence.

Structural Analysis of Monomeric RNA-Dependent Polymerases: Evolutionary and Therapeutic Implications.

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Rodrigo Jácome

Full Text Available The crystal structures of monomeric RNA-dependent RNA polymerases and reverse transcriptases of more than 20 different viruses are available in the Protein Data Bank. They all share the characteristic right-hand shape of DNA- and RNA polymerases formed by the fingers, palm and thumb subdomains, and, in many cases, "fingertips" that extend from the fingers towards the thumb subdomain, giving the viral enzyme a closed right-hand appearance. Six conserved structural motifs that contain key residues for the proper functioning of the enzyme have been identified in all these RNA-dependent polymerases. These enzymes share a two divalent metal-ion mechanism of polymerization in which two conserved aspartate residues coordinate the interactions with the metal ions to catalyze the nucleotidyl transfer reaction. The recent availability of crystal structures of polymerases of the Orthomyxoviridae and Bunyaviridae families allowed us to make pairwise comparisons of the tertiary structures of polymerases belonging to the four main RNA viral groups, which has led to a phylogenetic tree in which single-stranded negative RNA viral polymerases have been included for the first time. This has also allowed us to use a homology-based structural prediction approach to develop a general three-dimensional model of the Ebola virus RNA-dependent RNA polymerase. Our model includes several of the conserved structural motifs and residues described in other viral RNA-dependent RNA polymerases that define the catalytic and highly conserved palm subdomain, as well as portions of the fingers and thumb subdomains. The results presented here help to understand the current use and apparent success of antivirals, i.e. Brincidofovir, Lamivudine and Favipiravir, originally aimed at other types of polymerases, to counteract the Ebola virus infection.

Self-consistent DFT +U method for real-space time-dependent density functional theory calculations

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Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Rubio, Angel

2017-12-01

We implemented various DFT+U schemes, including the Agapito, Curtarolo, and Buongiorno Nardelli functional (ACBN0) self-consistent density-functional version of the DFT +U method [Phys. Rev. X 5, 011006 (2015), 10.1103/PhysRevX.5.011006] within the massively parallel real-space time-dependent density functional theory (TDDFT) code octopus. We further extended the method to the case of the calculation of response functions with real-time TDDFT+U and to the description of noncollinear spin systems. The implementation is tested by investigating the ground-state and optical properties of various transition-metal oxides, bulk topological insulators, and molecules. Our results are found to be in good agreement with previously published results for both the electronic band structure and structural properties. The self-consistent calculated values of U and J are also in good agreement with the values commonly used in the literature. We found that the time-dependent extension of the self-consistent DFT+U method yields improved optical properties when compared to the empirical TDDFT+U scheme. This work thus opens a different theoretical framework to address the nonequilibrium properties of correlated systems.

Optimized expression and purification of NavAb provide the structural insight into the voltage dependence.

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Irie, Katsumasa; Haga, Yukari; Shimomura, Takushi; Fujiyoshi, Yoshinori

2018-01-01

Voltage-gated sodium channels are crucial for electro-signalling in living systems. Analysis of the molecular mechanism requires both fine electrophysiological evaluation and high-resolution channel structures. Here, we optimized a dual expression system of NavAb, which is a well-established standard of prokaryotic voltage-gated sodium channels, for E. coli and insect cells using a single plasmid vector to analyse high-resolution protein structures and measure large ionic currents. Using this expression system, we evaluated the voltage dependence and determined the crystal structures of NavAb wild-type and two mutants, E32Q and N49K, whose voltage dependence were positively shifted and essential interactions were lost in voltage sensor domain. The structural and functional comparison elucidated the molecular mechanisms of the voltage dependence of prokaryotic voltage-gated sodium channels. © 2017 Federation of European Biochemical Societies.

Orbital-dependent exchange-correlation functionals in density-functional theory realized by the FLAPW method

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Betzinger, Markus

2011-12-14

In this thesis, we extended the applicability of the full-potential linearized augmented-plane-wave (FLAPW) method, one of the most precise, versatile and generally applicable electronic structure methods for solids working within the framework of density-functional theory (DFT), to orbital-dependent functionals for the exchange-correlation (xc) energy. Two different schemes that deal with orbital-dependent functionals, the Kohn-Sham (KS) and the generalized Kohn-Sham (gKS) formalism, have been realized. Hybrid functionals, combining some amount of the orbital-dependent exact exchange energy with local or semi-local functionals of the density, are implemented within the gKS scheme. We work in particular with the PBE0 hybrid of Perdew, Burke, and Ernzerhof. Our implementation relies on a representation of the non-local exact exchange potential - its calculation constitutes the most time consuming step in a practical calculation - by an auxiliary mixed product basis (MPB). In this way, the matrix elements of the Hamiltonian corresponding to the non-local potential become a Brillouin-zone (BZ) sum over vector-matrix-vector products. Several techniques are developed and explored to further accelerate our numerical scheme. We show PBE0 results for a variety of semiconductors and insulators. In comparison with experiment, the PBE0 functional leads to improved band gaps and an improved description of localized states. Even for the ferromagnetic semiconductor EuO with localized 4f electrons, the electronic and magnetic properties are correctly described by the PBE0 functional. Subsequently, we discuss the construction of the local, multiplicative exact exchange (EXX) potential from the non-local, orbital-dependent exact exchange energy. For this purpose we employ the optimized effective potential (OEP) method. Central ingredients of the OEP equation are the KS wave-function response and the single-particle density response function. We show that a balance between the LAPW

Orbital-dependent exchange-correlation functionals in density-functional theory realized by the FLAPW method

International Nuclear Information System (INIS)

Betzinger, Markus

2011-01-01

In this thesis, we extended the applicability of the full-potential linearized augmented-plane-wave (FLAPW) method, one of the most precise, versatile and generally applicable electronic structure methods for solids working within the framework of density-functional theory (DFT), to orbital-dependent functionals for the exchange-correlation (xc) energy. Two different schemes that deal with orbital-dependent functionals, the Kohn-Sham (KS) and the generalized Kohn-Sham (gKS) formalism, have been realized. Hybrid functionals, combining some amount of the orbital-dependent exact exchange energy with local or semi-local functionals of the density, are implemented within the gKS scheme. We work in particular with the PBE0 hybrid of Perdew, Burke, and Ernzerhof. Our implementation relies on a representation of the non-local exact exchange potential - its calculation constitutes the most time consuming step in a practical calculation - by an auxiliary mixed product basis (MPB). In this way, the matrix elements of the Hamiltonian corresponding to the non-local potential become a Brillouin-zone (BZ) sum over vector-matrix-vector products. Several techniques are developed and explored to further accelerate our numerical scheme. We show PBE0 results for a variety of semiconductors and insulators. In comparison with experiment, the PBE0 functional leads to improved band gaps and an improved description of localized states. Even for the ferromagnetic semiconductor EuO with localized 4f electrons, the electronic and magnetic properties are correctly described by the PBE0 functional. Subsequently, we discuss the construction of the local, multiplicative exact exchange (EXX) potential from the non-local, orbital-dependent exact exchange energy. For this purpose we employ the optimized effective potential (OEP) method. Central ingredients of the OEP equation are the KS wave-function response and the single-particle density response function. We show that a balance between the LAPW

Density dependence of the nuclear energy-density functional

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Papakonstantinou, Panagiota; Park, Tae-Sun; Lim, Yeunhwan; Hyun, Chang Ho

2018-01-01

Background: The explicit density dependence in the coupling coefficients entering the nonrelativistic nuclear energy-density functional (EDF) is understood to encode effects of three-nucleon forces and dynamical correlations. The necessity for the density-dependent coupling coefficients to assume the form of a preferably small fractional power of the density ρ is empirical and the power is often chosen arbitrarily. Consequently, precision-oriented parametrizations risk overfitting in the regime of saturation and extrapolations in dilute or dense matter may lose predictive power. Purpose: Beginning with the observation that the Fermi momentum kF, i.e., the cubic root of the density, is a key variable in the description of Fermi systems, we first wish to examine if a power hierarchy in a kF expansion can be inferred from the properties of homogeneous matter in a domain of densities, which is relevant for nuclear structure and neutron stars. For subsequent applications we want to determine a functional that is of good quality but not overtrained. Method: For the EDF, we fit systematically polynomial and other functions of ρ1 /3 to existing microscopic, variational calculations of the energy of symmetric and pure neutron matter (pseudodata) and analyze the behavior of the fits. We select a form and a set of parameters, which we found robust, and examine the parameters' naturalness and the quality of resulting extrapolations. Results: A statistical analysis confirms that low-order terms such as ρ1 /3 and ρ2 /3 are the most relevant ones in the nuclear EDF beyond lowest order. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one density-dependent term in nonrelativistic EDFs. The functional we propose easily accommodates known or adopted properties of nuclear matter near saturation. More importantly, upon extrapolation to dilute or asymmetric matter, it reproduces a range of existing microscopic

Loading functions generated by solid explosive detonations inside concrete containment structures

International Nuclear Information System (INIS)

Freund, H.W.; Schumann, S.; Rischbieter, F.; Schmitz, C.

1989-01-01

Partial dismantling of concrete structures by controlled blasting is being considered for nuclear power reactor decommissioning /1,2/. Quantitative prediction of both the desired destructive effects and the side effects caused by the dynamic load is based on knowledge of the time dependent forces acting on the structure, availability of data abut the dynamic material properties, realistic structural models. This work describes investigations performed to obtain time dependent forces for the case where solid explosive charges embedded into concrete are being detonated. The resulting multi component loading function is shown to constitute a set of input data for pre-test safety calculations of the building vibrational response

Emergence of ratio-dependent and predator-dependent functional responses for pollination mutualism and seed parasitism

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DeAngelis, Donald L.; Holland, J. Nathaniel

2006-01-01

Prey (N) dependence [g(N)], predator (P) dependence [g(P) or g(N,P)], and ratio dependence [f(P/N)] are often seen as contrasting forms of the predator's functional response describing predator consumption rates on prey resources in predator–prey and parasitoid–host interactions. Analogously, prey-, predator-, and ratio-dependent functional responses are apparently alternative functional responses for other types of consumer–resource interactions. These include, for example, the fraction of flowers pollinated or seeds parasitized in pollination (pre-dispersal) seed-parasitism mutualisms, such as those between fig wasps and fig trees or yucca moths and yucca plants. Here we examine the appropriate functional responses for how the fraction of flowers pollinated and seeds parasitized vary with the density of pollinators (predator dependence) or the ratio of pollinator and flower densities (ratio dependence). We show that both types of functional responses can emerge from minor, but biologically important variations on a single model. An individual-based model was first used to describe plant–pollinator interactions. Conditional upon on whether the number of flowers visited by the pollinator was limited by factors other than search time (e.g., by the number of eggs it had to lay, if it was also a seed parasite), and on whether the pollinator could directly find flowers on a plant, or had to search, the simulation results lead to either a predator-dependent or a ratio-dependent functional response. An analytic model was then used to show mathematically how these two cases can arise.

Functional interactions of HIV-infection and methamphetamine dependence during motor programming.

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Archibald, Sarah L; Jacobson, Mark W; Fennema-Notestine, Christine; Ogasawara, Miki; Woods, Steven P; Letendre, Scott; Grant, Igor; Jernigan, Terry L

2012-04-30

Methamphetamine (METH) dependence is frequently comorbid with HIV infection and both have been linked to alterations of brain structure and function. In a previous study, we showed that the brain volume loss characteristic of HIV infection contrasts with METH-related volume increases in striatum and parietal cortex, suggesting distinct neurobiological responses to HIV and METH (Jernigan et al., 2005). Functional magnetic resonance imaging (fMRI) has the potential to reveal functional interactions between the effects of HIV and METH. In the present study, 50 participants were studied in four groups: an HIV+ group, a recently METH-dependent group, a dually affected group, and a group of unaffected community comparison subjects. An fMRI paradigm consisting of motor sequencing tasks of varying levels of complexity was administered to examine blood oxygenation level dependent (BOLD) changes. Within all groups, activity increased significantly with increasing task complexity in large clusters within sensorimotor and parietal cortex, basal ganglia, cerebellum, and cingulate. The task complexity effect was regressed on HIV status, METH status, and the HIV×METH interaction term in a simultaneous multiple regression. HIV was associated with less complexity-related activation in striatum, whereas METH was associated with less complexity-related activation in parietal regions. Significant interaction effects were observed in both cortical and subcortical regions; and, contrary to expectations, the complexity-related activation was less aberrant in dually affected than in single risk participants, in spite of comparable levels of neurocognitive impairment among the clinical groups. Thus, HIV and METH dependence, perhaps through their effects on dopaminergic systems, may have opposing functional effects on neural circuits involved in motor programming. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Temperature dependent structural and vibrational properties of liquid indium

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Patel, A. B.; Bhatt, N. K.

2018-05-01

The influence of the temperature effect on both the structure factor and the phonon dispersion relation of liquid indium have been investigated by means of pseudopotential theory. The Percus-Yevick Hard Sphere reference system is applied to describe the structural calculation. The effective electron-ion interaction is explained by using modified empty core potential due to Hasegawa et al. along with a local field correction function due to Ichimaru-Utsumi (IU). The temperature dependence of pair potential needed at higher temperatures was achieved by multiplying the damping factor exp(- π/kBT2k F r ) in the pair potential. Very close agreement of static structure factor, particularly, at elevated temperatures confirms the validity of the local potential. A positive dispersion is found in low-q region and the correct trend of phonon dispersion branches like the experimental; shows all broad features of collective excitations in liquid metals.

Spatial and functional city structure with examples of Valjevo, Bor and Knjaževac

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Spasić Nenad

2005-01-01

Full Text Available Cities represent such social environments which develop under the influence of their resource hinterland, yet at the same time they vigorously affect changes in their immediate or broader surroundings, depending on dynamics of city limits change. From city origins to the present day, interdependences between its spatial and functional structures can be noticed. Historical context plays a significant role in city development, both in terms of its spatial structure formation as well as in terms of development of city functions and territorial distribution of urban services. Spatial structure of a city is also defined by a set of geographical, economic, social functional and other features in their interdependency. Functional structure of a city depends on its size and position it takes in the functional distribution on a regional level as well as it is related to the functional capacity of a city. This paper analyses concrete examples of spatial and functional structures featuring three Serbian towns: Valjevo, Bor and Knjaževac. From the analysis of their common attributes in this respect, the following can be noticed: formation of the case study towns happened around inherited historical city cores, which even now perform a number of public functions; basic road networks significantly influenced formation of spatial patterns of these towns; spatial development of the towns in the last decade or so was slowed down because of economic and social stagnation, which didn't show major influence on change of spatial and functional structures of the towns involved.

Selective maintenance of multi-state systems with structural dependence

International Nuclear Information System (INIS)

Dao, Cuong D.; Zuo, Ming J.

2017-01-01

This paper studies the selective maintenance problem for multi-state systems with structural dependence. Each component can be in one of multiple working levels and several maintenance actions are possible to a component in a maintenance break. The components structurally form multiple hierarchical levels and dependence groups. A directed graph is used to represent the precedence relations of components in the system. A selective maintenance optimization model is developed to maximize the system reliability in the next mission under time and cost constraints. A backward search algorithm is used to determine the assembly sequence for a selective maintenance scenario. The maintenance model helps maintenance managers in determining the best combination of maintenance activities to maximize the probability of successfully completing the next mission. Examples showing the use of the proposed method are presented. - Highlights: • A selective maintenance model for multi-state systems is proposed considering both economic and structural dependence. • Structural dependence is modeled as precedence relationship when disassembling components for maintenance. • Resources for disassembly and maintenance are evaluated using a backward search algorithm. • Maintenance strategies with and without structural dependence are analyzed. • Ignoring structural dependence may lead to over-estimation of system reliability.

Front propagation in a regular vortex lattice: Dependence on the vortex structure.

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Beauvier, E; Bodea, S; Pocheau, A

2017-11-01

We investigate the dependence on the vortex structure of the propagation of fronts in stirred flows. For this, we consider a regular set of vortices whose structure is changed by varying both their boundary conditions and their aspect ratios. These configurations are investigated experimentally in autocatalytic solutions stirred by electroconvective flows and numerically from kinematic simulations based on the determination of the dominant Fourier mode of the vortex stream function in each of them. For free lateral boundary conditions, i.e., in an extended vortex lattice, it is found that both the flow structure and the front propagation negligibly depend on vortex aspect ratios. For rigid lateral boundary conditions, i.e., in a vortex chain, vortices involve a slight dependence on their aspect ratios which surprisingly yields a noticeable decrease of the enhancement of front velocity by flow advection. These different behaviors reveal a sensitivity of the mean front velocity on the flow subscales. It emphasizes the intrinsic multiscale nature of front propagation in stirred flows and the need to take into account not only the intensity of vortex flows but also their inner structure to determine front propagation at a large scale. Differences between experiments and simulations suggest the occurrence of secondary flows in vortex chains at large velocity and large aspect ratios.

Calibration of the fine-structure constant of graphene by time-dependent density-functional theory

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Sindona, A.; Pisarra, M.; Vacacela Gomez, C.; Riccardi, P.; Falcone, G.; Bellucci, S.

2017-11-01

One of the amazing properties of graphene is the ultrarelativistic behavior of its loosely bound electrons, mimicking massless fermions that move with a constant velocity, inversely proportional to a fine-structure constant αg of the order of unity. The effective interaction between these quasiparticles is, however, better controlled by the coupling parameter αg*=αg/ɛ , which accounts for the dynamic screening due to the complex permittivity ɛ of the many-valence electron system. This concept was introduced in a couple of previous studies [Reed et al., Science 330, 805 (2010) and Gan et al., Phys. Rev. B 93, 195150 (2016)], where inelastic x-ray scattering measurements on crystal graphite were converted into an experimentally derived form of αg* for graphene, over an energy-momentum region on the eV Å -1 scale. Here, an accurate theoretical framework is provided for αg*, using time-dependent density-functional theory in the random-phase approximation, with a cutoff in the interaction between excited electrons in graphene, which translates to an effective interlayer interaction in graphite. The predictions of the approach are in excellent agreement with the above-mentioned measurements, suggesting a calibration method to substantially improve the experimental derivation of αg*, which tends to a static limiting value of ˜0.14 . Thus, the ab initio calibration procedure outlined demonstrates the accuracy of perturbation expansion treatments for the two-dimensional gas of massless Dirac fermions in graphene, in parallel with quantum electrodynamics.

Functional-dependent and size-dependent uptake of nanoparticles in PC12

International Nuclear Information System (INIS)

Sakai, N; Matsui, Y; Nakayama, A; Yoneda, M; Tsuda, A

2011-01-01

It is suggested that the uptake of nanoparticles is changed by the particle size or the surface modification. In this study, we quantified the uptake of nanoparticles in PC12 cells exposed Quantum Dots with different surface modification or fluorescent polystyrene particles with different particle size. The PC12 cells were exposed three types of the Quantum Dots (carboxyl base-functionalized, amino base-functionalized or non-base-functionalized) or three types of the fluorescent particles (22 nm, 100 nm or 1000 nm) for 3 hours. The uptake of the nanoparticles was quantified with a spectrofluorophotometer. The carboxyl base-functionalized Quantum Dots were considerably taken up by the cells than the non-base-functionalized Quantum Dots. Conversely, the amino base-functionalized Quantum Dots were taken up by the cells less frequently than the non-base-functionalized Quantum Dots. The particle number of the 22 nm-nanoparticles taken up by the cells was about 53 times higher than the 100 nm-particles. However, the particle weight of the 100 nm-particles taken up by the cells was higher than that of the 22 nm-nanoparticles. The 1000 nm-particles were adhered to the cell membrane, but they were little taken up by the cells. We concluded that nanoparticles can be taken up nerve cells in functional-dependent and size-dependent manners.

Temperature dependent evolution of the local electronic structure of atmospheric plasma treated carbon nanotubes: Near edge x-ray absorption fine structure study

International Nuclear Information System (INIS)

Roy, S. S.; Papakonstantinou, P.; Okpalugo, T. I. T.; Murphy, H.

2006-01-01

Near edge x-ray absorption fine structure (NEXAFS) spectroscopy has been employed to obtain the temperature dependent evolution of the electronic structure of acid treated carbon nanotubes, which were further modified by dielectric barrier discharge plasma processing in an ammonia atmosphere. The NEXAFS studies were performed from room temperature up to 900 deg. C. The presence of oxygen and nitrogen containing functional groups was observed in C K edge, N K edge, and O K edge NEXAFS spectra of the multiwalled carbon nanotubes. The N K edge spectra revealed three types of π* features, the source of which was decisively identified by their temperature dependent evolution. It was established that these features are attributed to pyridinelike, NO, and graphitelike structures, respectively. The O K edge indicated that both carbonyl (C=O), π*(CO), and ether C-O-C, σ*(CO), functionalities were present. Upon heating in a vacuum to 900 deg. C the π*(CO) resonances disappeared while the σ*(CO) resonances were still present confirming their higher thermal stability. Heating did not produce a significant change in the π* feature of the C K edge spectrum indicating that the tabular structure of the nanotubes is essentially preserved following the thermal decomposition of the functional groups on the nanotube surface

Environment-dependent crystal-field tight-binding based on density-functional theory

International Nuclear Information System (INIS)

Urban, Alexander

2012-01-01

systematic derivation of Slater-Koster parameters from the results of DFT calculations. In our approach, the DFT wave functions (Kohn-Sham orbitals) in a numerically converged basis of atom-centered functions and plane waves are mapped onto a minimal basis of atomic orbitals (AOs) using a projection formalism. This allows the computation of the minimal basis representation of the converged DFT Hamiltonian. The quality of TB parameters obtained using the projection methodology crucially depends on the choice of the minimal AO basis. We have therefore developed several schemes for the optimization of AO basis sets, which are discussed in detail in this thesis. The projection formalism described above is not limited to the calculation of conventional TB parameters, i.e., to bond and overlap integrals over two orbitals that are located at two different atomic sites. It also can be used to analyze crystal field interactions. We introduce an extended crystal-field tight-binding (CF-TB) method, which includes an environment-dependent on-site parametrization. It is demonstrated that the CF-TB method is substantially more accurate for low-symmetry structures. A common potential energy reference is a necessary condition to be able to compare Hamilton matrices and eigenvalues from different structures. We point out that the structure-dependent on-site parameters of a CF-TB model are suitable to gauge eigenvalues and bond integrals of different atomic and molecular structures. Most importantly, with an appropriate choice of potential energy reference, the structure sensitivity of bond integrals can be significantly reduced, thus leading to a substantial increase of the transferability of the TB models. In addition to the Slater-Koster parametrization of the electronic structure, for the calculation of cohesion energies and atomic forces in TB, a description of the ionic core repulsion and the double-counting corrections is required. We have explored various options for the partitioning

Cardiac structure and function predicts functional decline in the oldest old.

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Leibowitz, David; Jacobs, Jeremy M; Lande-Stessman, Irit; Gilon, Dan; Stessman, Jochanan

2018-02-01

Background This study examined the association between cardiac structure and function and the deterioration in activities of daily living (ADLs) in an age-homogenous, community-dwelling population of patients born in 1920-1921 over a five-year follow-up period. Design Longitudinal cohort study. Methods Patients were recruited from the Jerusalem Longitudinal Cohort Study, which has followed an age-homogenous cohort of Jerusalem residents born in 1920-1921. Patients underwent home echocardiography and were followed up for five years. Dependence was defined as needing assistance with one or more basic ADL. Standard echocardiographic assessment of cardiac structure and function, including systolic and diastolic function, was performed. Reassessment of ADLs was performed at the five-year follow-up. Results A total of 459 patients were included in the study. Of these, 362 (79%) showed a deterioration in at least one ADL at follow-up. Patients with functional deterioration had a significantly higher left ventricular mass index and left atrial volume with a lower ejection fraction. There was no significant difference between the diastolic parameters the groups in examined. When the data were examined categorically, a significantly larger percentage of patients with functional decline had an abnormal left ventricular ejection fraction and left ventricular hypertrophy. The association between left ventricular mass index and functional decline remained significant in all multivariate models. Conclusions In this cohort of the oldest old, an elevated left ventricular mass index, higher left atrial volumes and systolic, but not diastolic dysfunction, were predictive of functional disability.

Hydrologic linkages drive spatial structuring of bacterial assemblages and functioning in alpine floodplains

OpenAIRE

Freimann, Remo; Bürgmann, Helmut; Findlay, Stuart E.G.; Robinson, Christopher T.

2015-01-01

Microbial community assembly and microbial functions are affected by a number of different but coupled drivers such as local habitat characteristics, dispersal rates, and species interactions. In groundwater systems, hydrological flow can introduce spatial structure and directional dependencies among these drivers. We examined the importance of hydrology in structuring bacterial communities and their function within two alpine floodplains during different hydrological states. Piezometers were...

Final COMPASS results on the deuteron spin-dependent structure function g1d and the Bjorken sum rule

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C. Adolph

2017-06-01

Full Text Available Final results are presented from the inclusive measurement of deep-inelastic polarised-muon scattering on longitudinally polarised deuterons using a 6LiD target. The data were taken at 160 GeV beam energy and the results are shown for the kinematic range 1(GeV/c24GeV/c2 in the mass of the hadronic final state. The deuteron double-spin asymmetry A1d and the deuteron longitudinal-spin structure function g1d are presented in bins of x and Q2. Towards lowest accessible values of x, g1d decreases and becomes consistent with zero within uncertainties. The presented final g1d values together with the recently published final g1p values of COMPASS are used to again evaluate the Bjorken sum rule and perform the QCD fit to the g1 world data at next-to-leading order of the strong coupling constant. In both cases, changes in central values of the resulting numbers are well within statistical uncertainties. The flavour-singlet axial charge a0, which is identified in the MS‾ renormalisation scheme with the total contribution of quark helicities to the nucleon spin, is extracted at next-to-leading order accuracy from only the COMPASS deuteron data: a0(Q2=3(GeV/c2=0.32±0.02stat±0.04syst±0.05evol. Together with the recent results on the proton spin structure function g1p, the results on g1d constitute the COMPASS legacy on the measurements of g1 through inclusive spin-dependent deep inelastic scattering.

Annotating Protein Functional Residues by Coupling High-Throughput Fitness Profile and Homologous-Structure Analysis.

Science.gov (United States)

Du, Yushen; Wu, Nicholas C; Jiang, Lin; Zhang, Tianhao; Gong, Danyang; Shu, Sara; Wu, Ting-Ting; Sun, Ren

2016-11-01

Identification and annotation of functional residues are fundamental questions in protein sequence analysis. Sequence and structure conservation provides valuable information to tackle these questions. It is, however, limited by the incomplete sampling of sequence space in natural evolution. Moreover, proteins often have multiple functions, with overlapping sequences that present challenges to accurate annotation of the exact functions of individual residues by conservation-based methods. Using the influenza A virus PB1 protein as an example, we developed a method to systematically identify and annotate functional residues. We used saturation mutagenesis and high-throughput sequencing to measure the replication capacity of single nucleotide mutations across the entire PB1 protein. After predicting protein stability upon mutations, we identified functional PB1 residues that are essential for viral replication. To further annotate the functional residues important to the canonical or noncanonical functions of viral RNA-dependent RNA polymerase (vRdRp), we performed a homologous-structure analysis with 16 different vRdRp structures. We achieved high sensitivity in annotating the known canonical polymerase functional residues. Moreover, we identified a cluster of noncanonical functional residues located in the loop region of the PB1 β-ribbon. We further demonstrated that these residues were important for PB1 protein nuclear import through the interaction with Ran-binding protein 5. In summary, we developed a systematic and sensitive method to identify and annotate functional residues that are not restrained by sequence conservation. Importantly, this method is generally applicable to other proteins about which homologous-structure information is available. To fully comprehend the diverse functions of a protein, it is essential to understand the functionality of individual residues. Current methods are highly dependent on evolutionary sequence conservation, which is

Study of nuclear effects in the determination of nucleon structure functions with heavy targets

International Nuclear Information System (INIS)

Benvenuti, A.S.; Bollini, D.; Camporesi, T.

1984-01-01

Results of the experiment on deep inelastic scattering of 280 GeV muons on deuterium, nitrogen and iron nuclei are presented. The purpose of the measurements was to compare the Bjorken variable dependence of nucleon structure functions obtained in experiments on different nuclei and also Q 2 -dependence (Q- four-momentum transfer) of structure functions. The results of the experiments do not indicate any Q 2 -dependence of the Fsub(2)sup(Fe)/Fsub(2)sup(Dsub(2)) and Fsub(2)sup(Nsub(2))Fsub(2)sup(Dsub(2)) ratios. These ratios depend linearly on the parameter x: R=a+bx. The parameters of the linear fit for the iron/deuterium ratio are a=1.16+-0.03, b=-0.56+-0.08; and for the. ni;rogen/deuterium ratio, a=1.10+-0.04, anti b=-0.39+-0.09

Photon structure function - theory

International Nuclear Information System (INIS)

Bardeen, W.A.

1984-12-01

The theoretical status of the photon structure function is reviewed. Particular attention is paid to the hadronic mixing problem and the ability of perturbative QCD to make definitive predictions for the photon structure function. 11 references

Structure-based inference of molecular functions of proteins of unknown function from Berkeley Structural Genomics Center

Energy Technology Data Exchange (ETDEWEB)

Kim, Sung-Hou; Shin, Dong Hae; Hou, Jingtong; Chandonia, John-Marc; Das, Debanu; Choi, In-Geol; Kim, Rosalind; Kim, Sung-Hou

2007-09-02

Advances in sequence genomics have resulted in an accumulation of a huge number of protein sequences derived from genome sequences. However, the functions of a large portion of them cannot be inferred based on the current methods of sequence homology detection to proteins of known functions. Three-dimensional structure can have an important impact in providing inference of molecular function (physical and chemical function) of a protein of unknown function. Structural genomics centers worldwide have been determining many 3-D structures of the proteins of unknown functions, and possible molecular functions of them have been inferred based on their structures. Combined with bioinformatics and enzymatic assay tools, the successful acceleration of the process of protein structure determination through high throughput pipelines enables the rapid functional annotation of a large fraction of hypothetical proteins. We present a brief summary of the process we used at the Berkeley Structural Genomics Center to infer molecular functions of proteins of unknown function.

Renormalized sum rules for structure functions of heavy meson decays

International Nuclear Information System (INIS)

Grozin, A.G.; Korchemsky, G.P.

1996-01-01

We consider the properties of the structure functions of inclusive heavy meson decays B→X c and treat the c quark mass as a free parameter. We show that in two extreme cases of heavy and light c quarks the structure functions of heavy-heavy and heavy-light transitions are given by a Fourier transform of the matrix elements of Wilson lines containing a timelike and a lightlike segment, correspondingly. Using the renormalization properties of Wilson lines we find the dependence of the structure functions on the factorization scale, the structure function of the heavy-heavy transition is renormalized multiplicatively, while that of the heavy-light transition obeys the GLAP-type evolution equation. We propose a generalization of the sum rules for the moments of the structure functions (Bjorken, Voloshin, and the open-quote open-quote third close-quote close-quote sum rules) with a soft exponential factorization cutoff, which correctly incorporates both perturbative and nonperturbative effects. We analyze nonperturbative corrections by first considering infrared renormalon contributions to the Wilson lines. Uncertainties induced by the leading renormalon pole at u=1/2 are exactly canceled by a similar uncertainty in the heavy quark pole mass. The leading nonperturbative corrections associated with the next renormalon at u=1 are parametrized by the matrix element μ π 2 which is proportional to the heavy quark kinetic energy. copyright 1996 The American Physical Society

Social network types and functional dependency in older adults in Mexico

Directory of Open Access Journals (Sweden)

Espinosa-Alarcón Patricia

2010-02-01

Full Text Available Abstract Background Social networks play a key role in caring for older adults. A better understanding of the characteristics of different social networks types (TSNs in a given community provides useful information for designing policies to care for this age group. Therefore this study has three objectives: 1 To derive the TSNs among older adults affiliated with the Mexican Institute of Social Security; 2 To describe the main characteristics of the older adults in each TSN, including the instrumental and economic support they receive and their satisfaction with the network; 3 To determine the association between functional dependency and the type of social network. Methods Secondary data analysis of the 2006 Survey of Autonomy and Dependency (N = 3,348. The TSNs were identified using the structural approach and cluster analysis. The association between functional dependency and the TSNs was evaluated with Poisson regression with robust variance analysis in which socio-demographic characteristics, lifestyle and medical history covariates were included. Results We identified five TSNs: diverse with community participation (12.1%, diverse without community participation (44.3%; widowed (32.0%; nonfriends-restricted (7.6%; nonfamily-restricted (4.0%. Older adults belonging to widowed and restricted networks showed a higher proportion of dependency, negative self-rated health and depression. Older adults with functional dependency more likely belonged to a widowed network (adjusted prevalence ratio 1.5; 95%CI: 1.1-2.1. Conclusion The derived TSNs were similar to those described in developed countries. However, we identified the existence of a diverse network without community participation and a widowed network that have not been previously described. These TSNs and restricted networks represent a potential unmet need of social security affiliates.

Selfsimilar time dependent shock structures

International Nuclear Information System (INIS)

Beck, R.; Drury, L.O.

1985-01-01

Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The same argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions

Selfsimilar time dependent shock structures

Science.gov (United States)

Beck, R.; Drury, L. O.

1985-01-01

Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The ame argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions.

Substrates of neuropsychological functioning in stimulant dependence: a review of functional neuroimaging research

NARCIS (Netherlands)

Crunelle, C.L.; Veltman, D.J.; Booij, J.; van Emmerik-van Oortmerssen, K.; van den Brink, W.

2012-01-01

Stimulant dependence is associated with neuropsychological impairments. Here, we summarize and integrate the existing neuroimaging literature on the neural substrates of neuropsychological (dys)function in stimulant dependence, including cocaine, (meth-)amphetamine, ecstasy and nicotine dependence,

On the soft limit of the large scale structure power spectrum. UV dependence

International Nuclear Information System (INIS)

Garny, Mathias

2015-08-01

We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agreement within the expected uncertainties. Our approach can in principle be used to precisely infer the relevance of the leading order EFT coefficient(s) using small volume simulations in an 'anisotropic separate universe' framework. Our results suggest that the importance of these coefficient(s) is a ∝ 10% effect, and plausibly smaller.

Phenomenological study of the nucleon structure functions; Etude phenomenologique des fonctions de structure du nucleon

Energy Technology Data Exchange (ETDEWEB)

Bertini, M

1995-05-12

This thesis is devoted to the study of the deep inelastic scattering. Its purpose is the development of phenomenological models describing experimental results on unpolarized (F{sub 2}) and polarized (g{sub 1}) nucleon structure functions in the wide range of the kinematical domain. Special attention is paid to the small-x behaviour of F{sub 2} and to the link between deep inelastic scattering and photoproduction process. The investigation of the Pomeron in deep inelastic scattering shows that one single Pomeron compatible with the Froissard-Martin limit can account for all the present HERA data. A phenomenological model of the proton structure function is developed, based on a two-component structure including various features expected from both perturbative quantum chromodynamics and non perturbative Regge theory. A link with the photoproduction process is provided. A detailed analysis of the perturbative components, based on the Gribov-Lipatov-Altarelli-Parisi evolution equations is presented. Taking into account the different parton distribution, this approach allows to describe data on proton and neutron structure functions, on deep inelastic neutrino scattering, and to reproduce the gluons distribution extracted by the ZEUS collaboration. The model is applied to the polarized deep inelastic scattering and the axial anomaly effect appearing both in the description of results on the spin dependent structure functions g{sup p,n,d} and in the interpretation of the nucleon spin structure is discussed. (J.S.). 260 refs., 34 figs., 8 tabs., 6 appends.

Functional diversification of hsp40: distinct j-protein functional requirements for two prions allow for chaperone-dependent prion selection.

Science.gov (United States)

Harris, Julia M; Nguyen, Phil P; Patel, Milan J; Sporn, Zachary A; Hines, Justin K

2014-07-01

Yeast prions are heritable amyloid aggregates of functional yeast proteins; their propagation to subsequent cell generations is dependent upon fragmentation of prion protein aggregates by molecular chaperone proteins. Mounting evidence indicates the J-protein Sis1 may act as an amyloid specificity factor, recognizing prion and other amyloid aggregates and enabling Ssa and Hsp104 to act in prion fragmentation. Chaperone interactions with prions, however, can be affected by variations in amyloid-core structure resulting in distinct prion variants or 'strains'. Our genetic analysis revealed that Sis1 domain requirements by distinct variants of [PSI+] are strongly dependent upon overall variant stability. Notably, multiple strong [PSI+] variants can be maintained by a minimal construct of Sis1 consisting of only the J-domain and glycine/phenylalanine-rich (G/F) region that was previously shown to be sufficient for cell viability and [RNQ+] prion propagation. In contrast, weak [PSI+] variants are lost under the same conditions but maintained by the expression of an Sis1 construct that lacks only the G/F region and cannot support [RNQ+] propagation, revealing mutually exclusive requirements for Sis1 function between these two prions. Prion loss is not due to [PSI+]-dependent toxicity or dependent upon a particular yeast genetic background. These observations necessitate that Sis1 must have at least two distinct functional roles that individual prions differentially require for propagation and which are localized to the glycine-rich domains of the Sis1. Based on these distinctions, Sis1 plasmid-shuffling in a [PSI+]/[RNQ+] strain permitted J-protein-dependent prion selection for either prion. We also found that, despite an initial report to the contrary, the human homolog of Sis1, Hdj1, is capable of [PSI+] prion propagation in place of Sis1. This conservation of function is also prion-variant dependent, indicating that only one of the two Sis1-prion functions may have

Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function

DEFF Research Database (Denmark)

Lacevic, N.; Starr, F. W.; Schrøder, Thomas

2003-01-01

correlation function g4(r,t) and corresponding "structure factor" S4(q,t) which measure the spatial correlations between the local liquid density at two points in space, each at two different times, and so are sensitive to dynamical heterogeneity. We study g4(r,t) and S4(q,t) via molecular dynamics......Relaxation in supercooled liquids above their glass transition and below the onset temperature of "slow" dynamics involves the correlated motion of neighboring particles. This correlated motion results in the appearance of spatially heterogeneous dynamics or "dynamical heterogeneity." Traditional...... two-point time-dependent density correlation functions, while providing information about the transient "caging" of particles on cooling, are unable to provide sufficiently detailed information about correlated motion and dynamical heterogeneity. Here, we study a four-point, time-dependent density...

Time-domain representation of frequency dependent inertial forces on offshore structures

DEFF Research Database (Denmark)

Krenk, Steen

2013-01-01

dependence is then approximated by a rational function, corresponding to a set of ordinary differential equations in the time domain. The MacCamy-Fuchs solution leads to a representation of the inertial force coefficient as a complex function with argument mainly corresponding to a 'phase lead', in contrast...... history of the inertial force is determined by processing the stable part of the transformation by a forward time integration, followed by an integration in the negative time-direction to obtain the final inertial force time history. The differential equations of the local inertial force at a cross......The inertial wave force on a vertical cylinder decreases with decreasing wave length, when the wave length is less than about six times the diameter of the diameter of the cylinder. In structures with a largediameter component like mono-towers the resonance frequency of the structure is typically...

Functional materials discovery using energy-structure-function maps.

Science.gov (United States)

Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A; Chong, Samantha Y; Slater, Benjamin J; McMahon, David P; Bonillo, Baltasar; Stackhouse, Chloe J; Stephenson, Andrew; Kane, Christopher M; Clowes, Rob; Hasell, Tom; Cooper, Andrew I; Day, Graeme M

2017-03-30

Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

Deep-inelastic structure functions in an approximation to the bag theory

International Nuclear Information System (INIS)

Jaffe, R.L.

1975-01-01

A cavity approximation to the bag theory developed earlier is extended to the treatment of forward virtual Compton scattering. In the Bjorken limit and for small values of ω (ω = vertical-bar2p center-dot q/q 2 vertical-bar) it is argued that the operator nature of the bag boundaries might be ignored. Structure functions are calculated in one and three dimensions. Bjorken scaling is obtained. The model provides a realization of light-cone current algebra and possesses a parton interpretation. The structure functions show a quasielastic peak. The spreading of the structure functions about the peak is associated with confinement. As expected, Regge behavior is not obtained for large ω. The ''momentum sum rule'' is saturated, indicating that the hadron's charged constituents carry all the momentum in this model. νW/subL/ is found to scale and is calculable. Application of the model to the calculation of spin-dependent and chiral-symmetry--violating structure functions is proposed. The nature of the intermediate states in this approximation is discussed. Problems associated with the cavity approximation are also discussed

Lyapunov functions and global stability for SIR and SEIR models with age-dependent susceptibility

KAUST Repository

Korobeinikov, Andrei; Melnik, Andrey V.

2013-01-01

We consider global asymptotic properties for the SIR and SEIR age structured models for infectious diseases where the susceptibility depends on the age. Using the direct Lyapunov method with Volterra type Lyapunov functions, we establish conditions for the global stability of a unique endemic steady state and the infection-free steady state.

Structure function monitor

Science.gov (United States)

McGraw, John T [Placitas, NM; Zimmer, Peter C [Albuquerque, NM; Ackermann, Mark R [Albuquerque, NM

2012-01-24

Methods and apparatus for a structure function monitor provide for generation of parameters characterizing a refractive medium. In an embodiment, a structure function monitor acquires images of a pupil plane and an image plane and, from these images, retrieves the phase over an aperture, unwraps the retrieved phase, and analyzes the unwrapped retrieved phase. In an embodiment, analysis yields atmospheric parameters measured at spatial scales from zero to the diameter of a telescope used to collect light from a source.

Temperature-dependent structure evolution in liquid gallium

International Nuclear Information System (INIS)

Xiong, L.H.; Wang, X.D.; Yu, Q.; Zhang, H.; Zhang, F.; Sun, Y.; Cao, Q.P.; Xie, H.L.; Xiao, T.Q.; Zhang, D.X.; Wang, C.Z.; Ho, K.M.

2017-01-01

Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular dynamics simulation. Both experimental and theoretical results reveal the existence of a liquid structural change around 1000 K in liquid Ga. Below and above this temperature the liquid exhibits differences in activation energy for self-diffusion, temperature-dependent heat capacity, coordination numbers, density, viscosity, electric resistivity and thermoelectric power, which are reflected from structural changes of the bond-orientational order parameter Q_6, fraction of covalent dimers, averaged string length and local atomic packing. This finding will trigger more studies on the liquid-to-liquid crossover in metallic melts. - Graphical abstract: Atomistic structure evolution of liquid gallium has been investigated by using in situ high energy X-ray diffraction and ab initio molecular dynamics simulations, which both demonstrate the existence of a liquid structural change together with reported density, viscosity, electric resistivity and absolute thermoelectric power data.

Hemodynamics, functional state of endothelium and renal function, platelets depending on the body mass index in patients with chronic heart failure and preserved systolic function

Directory of Open Access Journals (Sweden)

Kushnir Yu.

2014-03-01

Full Text Available The aim of the study was to evaluate hemodynamics, endothelium function of kidneys and platelets depending on the body mass index (BMI in patients with chronic heart failure (CHF and preserved systolic function. 42 patients (mean age - 76,690,83 years with CHF II-III FC NYHA with preserved systolic function (LVEF>45% were enrolled. Echocardiography was performed, endothelial function, serum creatinine levels and microalbuminuria were determined in patients. BMI and glomerulation filtration rate were calculated by formulas. The morphological and functional status of platelets was estimated by electronic microscopy. It was defined that increased BMI in patients with CHF and preserved systolic function determines the structural and functional changes of the myocardium and leads to the endothelial and renal functional changes. An increased risk of thrombogenesis was established in patients with overweight and obesity.

Dose-dependent deterioration of swallowing function after induction chemotherapy and definitive chemoradiotherapy for laryngopharyngeal cancer

Energy Technology Data Exchange (ETDEWEB)

Haderlein, M.; Semrau, S.; Ott, O.; Speer, S.; Fietkau, R. [University Hospital Erlangen, Department of Radiation Oncology, Erlangen (Germany); Bohr, C. [University Hospital Erlangen, Department of Otorhinolaryngology, Head and Neck Surgery, Erlangen (Germany)

2014-02-15

To evaluate the influence of clinical, treatment- and dose-dependent factors on posttreatment swallowing function after induction chemotherapy and definitive chemoradiotherapy in a group of homogeneously treated laryngopharyngeal cancer patients. From 28 May 2008 to 15 February 2013, 45 patients with borderline inoperable laryngopharyngeal cancer that had responded well to induction chemotherapy were treated with definitive chemoradiotherapy. Median follow-up was 22 months. Swallowing function and clinical data were prospectively analyzed using the EORTC QLQ-C30 questionnaire. Swallowing structures were retrospectively delineated on the original treatment planning CT. Dose-volume histograms were calculated for swallowing structures and D{sub mean}, D{sub max} and V50-V64 values (in 2 Gy increments) were determined for each patient. Tumor volume and infiltration of the swallowing apparatus was defined by CT before induction chemotherapy. Of the 45 patients, 26 (57.8 %) fully regained swallowing function after chemoradiotherapy. A further 12 patients (26.7 %) were able to manage soft, pureed and/or liquid foods; the remaining 7 (15.6 %) were completely dependent on percutaneous endoscopic gastrostomy (PEG). Posttreatment swallowing function was significantly influenced by D{sub mean} to the superior pharyngeal constrictor muscle (PCM, p = 0.041). Correlations between late dysphagia and dose-volume relationships in the superior PCM and soft palate were also observed, which were significant from V60 (p = 0.043) and V58 for the soft palate and superior PCM, respectively. Of the evaluated clinical and tumor-related factors, only alcohol abuse (p = 0.024) had an influence on posttreatment swallowing function. Almost 50 % of patients had deterioration of swallowing function after definitive chemoradiotherapy for laryngopharyngeal cancer. The dose to anatomical structures responsible for swallowing function appears to play a role. Therefore, in selected patients, target

Dose-dependent deterioration of swallowing function after induction chemotherapy and definitive chemoradiotherapy for laryngopharyngeal cancer

International Nuclear Information System (INIS)

Haderlein, M.; Semrau, S.; Ott, O.; Speer, S.; Fietkau, R.; Bohr, C.

2014-01-01

To evaluate the influence of clinical, treatment- and dose-dependent factors on posttreatment swallowing function after induction chemotherapy and definitive chemoradiotherapy in a group of homogeneously treated laryngopharyngeal cancer patients. From 28 May 2008 to 15 February 2013, 45 patients with borderline inoperable laryngopharyngeal cancer that had responded well to induction chemotherapy were treated with definitive chemoradiotherapy. Median follow-up was 22 months. Swallowing function and clinical data were prospectively analyzed using the EORTC QLQ-C30 questionnaire. Swallowing structures were retrospectively delineated on the original treatment planning CT. Dose-volume histograms were calculated for swallowing structures and D mean , D max and V50-V64 values (in 2 Gy increments) were determined for each patient. Tumor volume and infiltration of the swallowing apparatus was defined by CT before induction chemotherapy. Of the 45 patients, 26 (57.8 %) fully regained swallowing function after chemoradiotherapy. A further 12 patients (26.7 %) were able to manage soft, pureed and/or liquid foods; the remaining 7 (15.6 %) were completely dependent on percutaneous endoscopic gastrostomy (PEG). Posttreatment swallowing function was significantly influenced by D mean to the superior pharyngeal constrictor muscle (PCM, p = 0.041). Correlations between late dysphagia and dose-volume relationships in the superior PCM and soft palate were also observed, which were significant from V60 (p = 0.043) and V58 for the soft palate and superior PCM, respectively. Of the evaluated clinical and tumor-related factors, only alcohol abuse (p = 0.024) had an influence on posttreatment swallowing function. Almost 50 % of patients had deterioration of swallowing function after definitive chemoradiotherapy for laryngopharyngeal cancer. The dose to anatomical structures responsible for swallowing function appears to play a role. Therefore, in selected patients, target volume

Wavelet-based linear-response time-dependent density-functional theory

Science.gov (United States)

Natarajan, Bhaarathi; Genovese, Luigi; Casida, Mark E.; Deutsch, Thierry; Burchak, Olga N.; Philouze, Christian; Balakirev, Maxim Y.

2012-06-01

Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BIGDFT and results are compared against those obtained with the all-electron Gaussian-type orbital program DEMON2K for the calculation of electronic absorption spectra of N2 using the TD local density approximation (LDA). The two programs give comparable excitation energies and absorption spectra once suitably extensive basis sets are used. Convergence of LDA density orbitals and orbital energies to the basis-set limit is significantly faster for BIGDFT than for DEMON2K. However the number of virtual orbitals used in TD-DFT calculations is a parameter in BIGDFT, while all virtual orbitals are included in TD-DFT calculations in DEMON2K. As a reality check, we report the X-ray crystal structure and the measured and calculated absorption spectrum (excitation energies and oscillator strengths) of the small organic molecule N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1, 2-a]pyridin-3-amine.

A Multimodal Approach for Determining Brain Networks by Jointly Modeling Functional and Structural Connectivity

Directory of Open Access Journals (Sweden)

Wenqiong eXue

2015-02-01

Full Text Available Recent innovations in neuroimaging technology have provided opportunities for researchers to investigate connectivity in the human brain by examining the anatomical circuitry as well as functional relationships between brain regions. Existing statistical approaches for connectivity generally examine resting-state or task-related functional connectivity (FC between brain regions or separately examine structural linkages. As a means to determine brain networks, we present a unified Bayesian framework for analyzing FC utilizing the knowledge of associated structural connections, which extends an approach by Patel et al.(2006a that considers only functional data. We introduce an FC measure that rests upon assessments of functional coherence between regional brain activity identified from functional magnetic resonance imaging (fMRI data. Our structural connectivity (SC information is drawn from diffusion tensor imaging (DTI data, which is used to quantify probabilities of SC between brain regions. We formulate a prior distribution for FC that depends upon the probability of SC between brain regions, with this dependence adhering to structural-functional links revealed by our fMRI and DTI data. We further characterize the functional hierarchy of functionally connected brain regions by defining an ascendancy measure that compares the marginal probabilities of elevated activity between regions. In addition, we describe topological properties of the network, which is composed of connected region pairs, by performing graph theoretic analyses. We demonstrate the use of our Bayesian model using fMRI and DTI data from a study of auditory processing. We further illustrate the advantages of our method by comparisons to methods that only incorporate functional information.

Functional properties and structural characterization of rice δ1-pyrroline-5-carboxylate reductase

Directory of Open Access Journals (Sweden)

Giuseppe eForlani

2015-07-01

Full Text Available The majority of plant species accumulate high intracellular levels of proline to cope with hyperosmotic stress conditions. Proline synthesis from glutamate is tightly regulated at both the transcriptional and the translational levels, yet little is known about the mechanisms for post-translational regulation of the enzymatic activities involved. The gene coding in rice (Oryza sativa L. for δ1-pyrroline-5-carboxylate (P5C reductase, the enzyme that catalyzes the second and final step in this pathway, was isolated and expressed in E. coli. The structural and functional properties of the affinity-purified protein were characterized. As for most species, rice P5C reductase was able to use in vitro either NADH or NADPH as the electron donor. However, strikingly different effects of cations and anions were found depending on the pyridine nucleotide used, namely inhibition of NADH-dependent activity and stimulation of NADPH-dependent activity. Moreover, physiological concentrations of proline and NADP+ were strongly inhibitory for the NADH-dependent reaction, whereas the NADPH-dependent activity was mildly affected. Our results suggest that only NADPH may be used in vivo and that stress-dependent variations in ion homeostasis and NADPH/NADP+ ratio could modulate enzyme activity, being functional in promoting proline accumulation and potentially also adjusting NADPH consumption during the defense against hyperosmotic stress. The apparent molecular weight of the native protein observed in size exclusion chromatography indicated a high oligomerization state. We also report the first crystal structure of a plant P5C reductase at 3.40-Å resolution, showing a decameric quaternary assembly. Based on the structure, it was possible to identify dynamic structural differences among rice, human and bacterial enzymes.

The spin-dependent structure function $g_{1}(x)$ of the deuteron from polarized deep-inelastic muon scattering

CERN Document Server

Adams, D; Adeva, B; Akdogan, T; Arik, E; Arvidson, A; Badelek, B; Ballintijn, M K; Bardin, Dimitri Yuri; Bardin, G; Baum, G; Berglund, P; Betev, L; Bird, I G; Birsa, R; Björkholm, P; Bonner, B E; De Botton, N R; Boutemeur, M; Bradamante, Franco; Bravar, A; Bressan, A; Bültmann, S; Burtin, E; Cavata, C; Crabb, D; Cranshaw, J; Çuhadar-Dönszelmann, T; Dalla Torre, S; Van Dantzig, R; Derro, B R; Deshpande, A A; Dhawan, S K; Dulya, C M; Dyring, A; Eichblatt, S; Faivre, Jean-Claude; Fasching, D; Feinstein, F; Fernández, C; Frois, Bernard; Gallas, A; Garzón, J A; Gaussiran, T; Giorgi, M A; von Goeler, E; Gómez, F; Gracia, G; De Groot, N; Grosse-Perdekamp, M; Von Harrach, D; Hasegawa, T; Hautle, P; Hayashi, N; Heusch, C A; Horikawa, N; Hughes, V W; Igo, G; Ishimoto, S; Iwata, T; Kabuss, E M; Kageya, T; Kalinovskaya, L V; Karev, A G; Kessler, H J; Ketel, T; Kiryluk, J; Kishi, A; Kiselev, Yu F; Klostermann, L; Krämer, Dietrich; Krivokhizhin, V G; Kröger, W; Kukhtin, V V; Kurek, K; Kyynäräinen, J; Lamanna, M; Landgraf, U; Le Goff, J M; Lehár, F; de Lesquen, A; Lichtenstadt, J; Lindqvist, T; Litmaath, M; Loewe, M; Magnon, A; Mallot, G K; Marie, F; Martin, A; Martino, J; Matsuda, T; Mayes, B W; McCarthy, J S; Medved, K S; Van Middelkoop, G; Miller, D; Mori, K; Moromisato, J H; Nagaitsev, A P; Nassalski, J P; Naumann, Lutz; Niinikoski, T O; Oberski, J; Ogawa, A; Ozben, C; Parks, D P; Perrot-Kunne, F; Peshekhonov, V D; Piegaia, R; Pinsky, L; Platchkov, S K; Pló, M; Polec, J; Pose, D; Postma, H; Pretz, J; Puntaferro, R; Pussieux, T; Pyrlik, J; Rädel, G; Rijllart, A; Roberts, J B; Rock, S E; Rodríguez, M; Rondio, Ewa; Rosado, A; Sabo, I; Saborido, J; Sandacz, A; Savin, I A; Schiavon, R P; Schüler, K P; Seitz, R; Semertzidis, Y K; Sever, F; Shanahan, P; Sichtermann, E P; Simeoni, F; Smirnov, G I; Staude, A; Steinmetz, A; Steigler, U; Stuhrmann, H B; Szleper, M; Teichert, K M; Tessarotto, F; Tlaczala, W; Trentalange, S; Tripet, A; Ünel, G; Velasco, M; Vogt, J; Voss, Rüdiger; Weinstein, R; Whitten, C; Windmolders, R; Willumeit, R; Wislicki, W; Witzmann, A; Yañez, A; Ylöstalo, J; Zanetti, A M; Zaremba, K; Zhao, J

1997-01-01

We present a new measurement of the spin-dependent structure function $g_{1}^{\\rm d}$ of the deuteron from deep inelastic scattering of 190 GeV polarized muons on polarized deuterons. The results are combined with our previous measurements of $g_{1}^{\\rm d}$. A perturbative QCD evolution in next-to-leading order is used to compute $g_{1}^{\\rm d}(x)$ at a constant $Q^{2}$. At $Q^{2} = 10$ GeV$^{2}$, we obtain a first moment $\\Gamma_{1}^{\\rm d} = \\int_{0}^{1} g_{1}^{\\rm d}{\\rm d}x = 0.041 \\pm 0.008$, a flavour-singlet axial charge of the nucleon $a_{0} = 0.30 \\pm 0.08$, and an axial charge of the strange quark $a_{s} = -0.09 \\pm 0.03$. Using our earlier determination of $\\Gamma_{1}^{\\rm p}$, we obtain $\\Gamma_1^{\\rm p} - \\Gamma_1^{\\rm n} = 0.183 \\pm 0.035$ at $Q^2 = 10\\,\\mbox{GeV}^2$. This result is in agreement with the Bjorken sum rule which predicts $\\Gamma_1^{\\rm p} - \\Gamma_1^{\\rm n} = 0.186 \\pm 0.002$ at the same $Q^2$.

Extracellular proteolysis in structural and functional plasticity of mossy fiber synapses in hippocampus

Directory of Open Access Journals (Sweden)

Grzegorz eWiera

2015-11-01

Full Text Available Brain is continuously altered in response to experience and environmental changes. One of the underlying mechanisms is synaptic plasticity, which is manifested by modification of synapse structure and function. It is becoming clear that regulated extracellular proteolysis plays a pivotal role in the structural and functional remodeling of synapses during brain development, learning and memory formation. Clearly, plasticity mechanisms may substantially differ between projections. Mossy fiber synapses onto CA3 pyramidal cells display several unique functional features, including pronounced short-term facilitation, a presynaptically expressed LTP that is independent of NMDAR activation, and NMDA-dependent metaplasticity. Moreover, structural plasticity at mossy fiber synapses ranges from the reorganization of projection topology after hippocampus-dependent learning, through intrinsically different dynamic properties of synaptic boutons to pre- and postsynaptic structural changes accompanying LTP induction. Although concomitant functional and structural plasticity in this pathway strongly suggests a role of extracellular proteolysis, its impact only starts to be investigated in this projection. In the present report, we review the role of extracellular proteolysis in various aspects of synaptic plasticity in hippocampal mossy fiber synapses. A growing body of evidence demonstrates that among perisynaptic proteases, tPA/plasmin system, β-site amyloid precursor protein-cleaving enzyme 1 (BACE1 and metalloproteinases play a crucial role in shaping plastic changes in this projection. We discuss recent advances and emerging hypotheses on the roles of proteases in mechanisms underlying mossy fiber target specific synaptic plasticity and memory formation.

Temperature dependent electrical characteristics of Zn/ZnSe/n-GaAs/In structure

Science.gov (United States)

Sağlam, M.; Güzeldir, B.

2016-04-01

We have reported a study of the I-V characteristics of Zn/ZnSe/n-GaAs/In sandwich structure in a wide temperature range of 80-300 K by a step of 20 K, which are prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) method. The main electrical parameters, such as ideality factor and zero-bias barrier height determined from the forward bias I-V characteristics were found strongly depend on temperature and when the increased, the n decreased with increasing temperature. The ideality factor and barrier height values as a function of the sample temperature have been attributed to the presence of the lateral inhomogeneities of the barrier height. Furthermore, the series resistance have been calculated from the I-V measurements as a function of temperature dependent.

Chemical/molecular structure of the dentin-enamel junction is dependent on the intratooth location.

Science.gov (United States)

Xu, Changqi; Yao, Xiaomei; Walker, Mary P; Wang, Yong

2009-03-01

The dentin-enamel junction (DEJ) plays an important role in preventing crack propagation from enamel into dentin. This function stems from its complex structure and materials properties that are different from either dentin or enamel. The molecular structural differences in both mineral and organic matrix across the DEJ zone were investigated by two-dimensional confocal Raman microspectroscopic mapping/imaging technique. The intensity ratios of 1450 (CH, matrix)/960 (P-O, mineral) decreased gradually to nearly zero across the DEJ. The width of this transition zone was dependent on the intratooth location, with 12.9 +/- 3.2 microm width at occlusal positions and 6.2 +/- 1.3 microm at cervical positions. The difference in width was significant (P < 0.001). Concurrently, spectral differences in both organic and inorganic matrices across the DEJ were also noted. For example, the ratios of 1243 (amide III)/1450 (CH) within the DEJ were lower than the values in dentin; however, the ratios of 1665 (amide I)/1450 (CH) within the DEJ were higher than those values in dentin. In addition, the ratios of 1070 (carbonate)/960 (phosphate) within the dentin were lower than the values in the DEJ. Raman images indicated that the distribution of the above ratios across the DEJ zone were also different at occlusal and cervical positions. The results suggest that the intratooth-location-dependent structure of the DEJ may be related to its function. Micro-Raman spectroscopic/imaging analysis of the DEJ provides a powerful means of identifying the functional width and molecular structural differences across the DEJ.

Water Contact Angle Dependence with Hydroxyl Functional Groups on Silica Surfaces under CO2 Sequestration Conditions.

Science.gov (United States)

Chen, Cong; Zhang, Ning; Li, Weizhong; Song, Yongchen

2015-12-15

Functional groups on silica surfaces under CO2 sequestration conditions are complex due to reactions among supercritical CO2, brine and silica. Molecular dynamics simulations have been performed to investigate the effects of hydroxyl functional groups on wettability. It has been found that wettability shows a strong dependence on functional groups on silica surfaces: silanol number density, space distribution, and deprotonation/protonation degree. For neutral silica surfaces with crystalline structure (Q(3), Q(3)/Q(4), Q(4)), as silanol number density decreases, contact angle increases from 33.5° to 146.7° at 10.5 MPa and 318 K. When Q(3) surface changes to an amorphous structure, water contact angle increases 20°. Water contact angle decreases about 12° when 9% of silanol groups on Q(3) surface are deprotonated. When the deprotonation degree increases to 50%, water contact angle decreases to 0. The dependence of wettability on silica surface functional groups was used to analyze contact angle measurement ambiguity in literature. The composition of silica surfaces is complicated under CO2 sequestration conditions, the results found in this study may help to better understand wettability of CO2/brine/silica system.

Temperature dependence of the magnetization of canted spin structures

DEFF Research Database (Denmark)

Jacobsen, Henrik; Lefmann, Kim; Brok, Erik

2012-01-01

Numerous studies of the low-temperature saturation magnetization of ferrimagnetic nanoparticles and diamagnetically substituted ferrites have shown an anomalous temperature dependence. It has been suggested that this is related to freezing of canted magnetic structures. We present models for the ......Numerous studies of the low-temperature saturation magnetization of ferrimagnetic nanoparticles and diamagnetically substituted ferrites have shown an anomalous temperature dependence. It has been suggested that this is related to freezing of canted magnetic structures. We present models...... for the temperature dependence of the magnetization of a simple canted spin structure in which relaxation can take place at finite temperatures between spin configurations with different canting angles. We show that the saturation magnetization may either decrease or increase with decreasing temperature, depending...

Competing failure analysis in phased-mission systems with multiple functional dependence groups

International Nuclear Information System (INIS)

Wang, Chaonan; Xing, Liudong; Peng, Rui; Pan, Zhusheng

2017-01-01

A phased-mission system (PMS) involves multiple, consecutive, non-overlapping phases of operation. The system structure function and component failure behavior in a PMS can change from phase to phase, posing big challenges to the system reliability analysis. Further complicating the problem is the functional dependence (FDEP) behavior where the failure of certain component(s) causes other component(s) to become unusable or inaccessible or isolated. Previous studies have shown that FDEP can cause competitions between failure propagation and failure isolation in the time domain. While such competing failure effects have been well addressed in single-phase systems, only little work has focused on PMSs with a restrictive assumption that a single FDEP group exists in one phase of the mission. Many practical systems (e.g., computer systems and networks), however may involve multiple FDEP groups during the mission. Moreover, different FDEP groups can be dependent due to sharing some common components; they may appear in a single phase or multiple phases. This paper makes new contributions by modeling and analyzing reliability of PMSs subject to multiple FDEP groups through a Markov chain-based methodology. Propagated failures with both global and selective effects are considered. Four case studies are presented to demonstrate application of the proposed method. - Highlights: • Reliability of phased-mission systems subject to competing failure propagation and isolation effects is modeled. • Multiple independent or dependent functional dependence groups are considered. • Propagated failures with global effects and selective effects are studied. • Four case studies demonstrate generality and application of the proposed Markov-based method.

Characterization of Danio rerio Mn2+-dependent ADP-ribose/CDP-alcohol diphosphatase, the structural prototype of the ADPRibase-Mn-like protein family.

Directory of Open Access Journals (Sweden)

Joaquim Rui Rodrigues

Full Text Available The ADPRibase-Mn-like protein family, that belongs to the metallo-dependent phosphatase superfamily, has different functional and structural prototypes. The functional one is the Mn(2+-dependent ADP-ribose/CDP-alcohol diphosphatase from Rattus norvegicus, which is essentially inactive with Mg(2+ and active with low micromolar Mn(2+ in the hydrolysis of the phosphoanhydride linkages of ADP-ribose, CDP-alcohols and cyclic ADP-ribose (cADPR in order of decreasing efficiency. The structural prototype of the family is a Danio rerio protein with a known crystallographic structure but functionally uncharacterized. To estimate the structure-function correlation with the same protein, the activities of zebrafish ADPRibase-Mn were studied. Differences between zebrafish and rat enzymes are highlighted. The former showed a complex activity dependence on Mn(2+, significant (≈25% Mg(2+-dependent activity, but was almost inactive on cADPR (150-fold less efficient than the rat counterpart. The low cADPR hydrolase activity agreed with the zebrafish genome lacking genes coding for proteins with significant homology with cADPR-forming enzymes. Substrate-docking to zebrafish wild-type protein, and characterization of the ADPRibase-Mn H97A mutant pointed to a role of His-97 in catalysis by orientation, and to a bidentate water bridging the dinuclear metal center as the potential nucleophile. Finally, three structural elements that delimit the active site entrance in the zebrafish protein were identified as unique to the ADPRibase-Mn-like family within the metallo-dependent phosphatase superfamily.

The Spin-dependent Structure Function of the Proton $g_{1}^p$ and a Test of the Bjorken Sum Rule

CERN Document Server

Alekseev, M.G.; Alexandrov, Yu.; Alexeev, G.D.; Amoroso, A.; Austregesilo, A.; Badelek, B.; Balestra, F.; Ball, J.; Barth, J.; Baum, G.; Bedfer, Y.; Bernhard, J.; Bertini, R.; Bettinelli, M.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bravar, A.; Bressan, A.; Brona, G.; Burtin, E.; Bussa, M.P.; Chaberny, D.; Cotic, D.; Chiosso, M.; Chung, S.U.; Cicuttin, A.; Colantoni, M.; Crespo, M.L.; Dalla Torre, S.; Das, S.; Dasgupta, S.S.; Denisov, O.Yu.; Dhara, L.; Diaz, V.; Donskov, S.V.; Doshita, N.; Duic, V.; Dunnweber, W.; Efremov, A.; El Alaoui, A.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Ferrero, A.; Filin, A.; Finger, M.; Finger, M., Jr.; Fischer, H.; Franco, C.; Friedrich, J.M.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.P.; Gazda, R.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gnesi, I.; Gobbo, B.; Goertz, S.; Grabmuller, S.; Grasso, A.; Grube, B.; Gushterski, R.; Guskov, A.; Haas, F.; von Harrach, D.; Hasegawa, T.; Heinsius, F.H.; Hermann, R.; Herrmann, F.; Hess, C.; Hinterberger, F.; Horikawa, N.; Hoppner, Ch.; d'Hose, N.; Ilgner, C.; Ishimoto, S.; Ivanov, O.; Ivanshin, Yu.; Iwata, T.; Jahn, R.; Jasinski, P.; Jegou, G.; Joosten, R.; Kabuss, E.; Kafer, W.; Kang, D.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu.A.; Kisselev, Yu.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.H.; Kolosov, V.N.; Kondo, K.; Konigsmann, K.; Konopka, R.; Konorov, I.; Konstantinov, V.F.; Korzenev, A.; Kotzinian, A.M.; Kouznetsov, O.; Kowalik, K.; Kramer, M.; Kral, A.; Kroumchtein, Z.V.; Kuhn, R.; Kunne, F.; Kurek, K.; Lauser, L.; Le Goff, J.M.; Lednev, A.A.; Lehmann, A.; Levorato, S.; Lichtenstadt, J.; Liska, T.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.K.; Mann, A.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Massmann, F.; Matsuda, T.; Maximov, A.N.; Meyer, W.; Michigami, T.; Mikhailov, Yu.V.; Moinester, M.A.; Mutter, A.; Nagaytsev, A.; Nagel, T.; Nassalski, J.; Negrini, T.; Nerling, F.; Neubert, S.; Neyret, D.; Nikolaenko, V.I.; Nunes, A.S.; Olshevsky, A.G.; Ostrick, M.; Padee, A.; Panknin, R.; Panzieri, D.; Parsamyan, B.; Paul, S.; Pawlukiewicz-Kaminska, B.; Perevalova, E.; Pesaro, G.; Peshekhonov, D.V.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.A.; Pontecorvo, G.; Pretz, J.; Quintans, C.; Rajotte, J.F.; Ramos, S.; Rapatsky, V.; Reicherz, G.; Richter, A.; Robinet, F.; Rocco, E.; Rondio, E.; Ryabchikov, D.I.; Samoylenko, V.D.; Sandacz, A.; Santos, H.; Sapozhnikov, M.G.; Sarkar, S.; Savin, I.A.; Sbrizzai, G.; Schiavon, P.; Schill, C.; Schmitt, L.; Schluter, T.; Schopferer, S.; Schroder, W.; Shevchenko, O.Yu.; Siebert, H.W.; Silva, L.; Sinha, L.; Sissakian, A.N.; Slunecka, M.; Smirnov, G.I.; Sosio, S.; Sozzi, F.; Srnka, A.; Stolarski, M.; Sulc, M.; Sulej, R.; Takekawa, S.; Tessaro, S.; Tessarotto, F.; Teufel, A.; Tkatchev, L.G.; Uhl, S.; Uman, I.; Virius, M.; Vlassov, N.V.; Vossen, A.; Weitzel, Q.; Windmolders, R.; Wislicki, W.; Wollny, H.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Ziembicki, M.; Zhao, J.; Zhuravlev, N.; Zvyagin, A.

2010-01-01

The inclusive double-spin asymmetry, $A_{1}^{p}$, has been measured at COMPASS in deepinelastic polarised muon scattering off a large polarised NH3 target. The data, collected in the year 2007, cover the range Q2 > 1 (GeV/c)^2, 0.004 < x < 0.7 and improve the statistical precision of g_{1}^{p}(x) by a factor of two in the region x < 0.02. The new proton asymmetries are combined with those previously published for the deuteron to extract the non-singlet spin-dependent structure function g_1^NS(x,Q2). The isovector quark density, Delta_q_3(x,Q2), is evaluated from a NLO QCD fit of g_1^NS. The first moment of Delta_q3 is in good agreement with the value predicted by the Bjorken sum rule and corresponds to a ratio of the axial and vector coupling constants g_A/g_V = 1.28+-0.07(stat)+-0.10(syst).

Identification of antibody glycosylation structures that predict monoclonal antibody Fc-effector function.

Science.gov (United States)

Chung, Amy W; Crispin, Max; Pritchard, Laura; Robinson, Hannah; Gorny, Miroslaw K; Yu, Xiaojie; Bailey-Kellogg, Chris; Ackerman, Margaret E; Scanlan, Chris; Zolla-Pazner, Susan; Alter, Galit

2014-11-13

To determine monoclonal antibody (mAb) features that predict fragment crystalizable (Fc)-mediated effector functions against HIV. Monoclonal antibodies, derived from Chinese hamster ovary cells or Epstein-Barr virus-immortalized mouse heteromyelomas, with specificity to key regions of the HIV envelope including gp120-V2, gp120-V3 loop, gp120-CD4(+) binding site, and gp41-specific antibodies, were functionally profiled to determine the relative contribution of the variable and constant domain features of the antibodies in driving robust Fc-effector functions. Each mAb was assayed for antibody-binding affinity to gp140(SR162), antibody-dependent cellular cytotoxicity (ADCC), antibody-dependent cellular phagocytosis (ADCP) and for the ability to bind to FcγRIIa, FcγRIIb and FcγRIIIa receptors. Antibody glycan profiles were determined by HPLC. Neither the specificity nor the affinity of the mAbs determined the potency of Fc-effector function. FcγRIIIa binding strongly predicted ADCC and decreased galactose content inversely correlated with ADCP, whereas N-glycolylneuraminic acid-containing structures exhibited enhanced ADCP. Additionally, the bi-antenary glycan arm onto which galactose was added predicted enhanced binding to FcγRIIIa and ADCC activity, independent of the specificity of the mAb. Our studies point to the specific Fc-glycan structures that can selectively promote Fc-effector functions independently of the antibody specificity. Furthermore, we demonstrated antibody glycan structures associated with enhanced ADCP activity, an emerging Fc-effector function that may aid in the control and clearance of HIV infection.

Time-Dependent Density Functional Theory Analysis of Triphenylamine-Functionalized Graphene Doped with Transition Metals for Photocatalytic Hydrogen Production.

Science.gov (United States)

Mota, Elder A V; Neto, Abel F G; Marques, Francisco C; Mota, Gunar V S; Martins, Marcelo G; Costa, Fabio L P; Borges, Rosivaldo S; Neto, Antonio M J C

2018-07-01

The electronic structures and optical properties of triphenylamine-functionalized graphene (G-TPA) doped with transition metals, using water as a solvent, were theoretically investigated to verify the efficiency of photocatalytic hydrogen production with the use of transition metals. This study was performed by Density Functional Theory and Time-dependent Density Functional Theory through Gaussian 09W software, adopting the B3LYP functional for all structures. The 6-31g(d) basis set was used for H, C and N atoms, and the LANL2DZ basis set for transition metals using the Effective Core Potentials method. Two approaches were adopted: (1) using single metallic dopants (Ni, Pd, Fe, Os and Pt) and (2) using combinations of Ni with the other dopants (NiPd, NiPt, NiFe and NiOs). The DOS spectra reveal an increase of accessible states in the valence shell, in addition to a gap decrease for all dopants. This doping also increases the absorption in the visible region of solar radiation where sunlight is most intense (400 nm to 700 nm), with additional absorption peaks. The results lead us to propose the G-TPA structures doped with Ni, Pd, Pt, NiPt or NiPd to be novel catalysts for the conversion of solar energy for photocatalytic hydrogen production, since they improve the absorption of solar energy in the range of interest for solar radiation; and act as reaction centers, reducing the required overpotential for hydrogen production from water.

Nuclear effects in the F3 structure function for finite and asymptotic Q2

International Nuclear Information System (INIS)

Kulagin, S.A.

1998-01-01

We study nuclear effects in the structure function F 3 which describes the parity violating part of the charged-current neutrino nucleon deep inelastic scattering. Starting from a covariant approach we derive a factorized expression for the nuclear structure function in terms of the nuclear spectral function and off-shell nucleon structure functions valid for arbitrary momentum transfer Q and in the limit of weak nuclear binding, i.e. when a nucleus can be treated as a non-relativistic system. We develop a systematic expansion of nuclear structure functions in terms of a Q -2 series caused by nuclear effects (''nuclear twist'' series). Basing ourselves on this expansion we calculate nuclear corrections to the Gross-Llewellyn-Smith sum rule as well as to higher moments of F 3 . We show that corrections to the GLS sum rule due to nuclear effects cancel out in the Bjorken limit and calculate the corresponding Q -2 correction. Special attention is paid to the discussion of the off-shell effects in the structure functions. A sizable impact of these effects both on the Q 2 and x dependence of nuclear structure functions is found. (orig.)

Calculations of nucleon structure functions

International Nuclear Information System (INIS)

Signal, A.I.

1990-01-01

We present a method of calculating deep inelastic nucleon structure functions using bag model wavefunctions. Our method uses the Peierls - Yoccoz projection to form translation invariant bag states. We obtain the correct support for the structure functions and satisfy the positivity requirements for quark and anti-quark distribution functions. (orig.)

Modelling the dependability in Network Function Virtualisation

OpenAIRE

Lin, Wenqi

2017-01-01

Network Function Virtualization has been brought up to allow the TSPs to have more possibilities and flexibilities to provision services with better load optimizing, energy utilizing and dynamic scaling. Network functions will be decoupled from the underlying dedicated hardware into software instances that run on commercial off-the-shelf servers. However, the development is still at an early stage and the dependability concerns raise by the virtualization of the network functions are touched ...

Substrates of neuropsychological functioning in stimulant dependence: a review of functional neuroimaging research

NARCIS (Netherlands)

Crunelle, Cleo L.; Veltman, Dick J.; Booij, Jan; Emmerik-van Oortmerssen, Katelijne; den Brink, Wim

2012-01-01

Stimulant dependence is associated with neuropsychological impairments. Here, we summarize and integrate the existing neuroimaging literature on the neural substrates of neuropsychological (dys) function in stimulant dependence, including cocaine, (meth-) amphetamine, ecstasy and nicotine

Nucleon structure functions

International Nuclear Information System (INIS)

Virchaux, M.

1992-11-01

The present status of experimental measurements of the nucleon structure functions is reviewed. The results from nearly all deep inelastic experiments are in good mutual agreement. Principles of the analysis of these structure function data in the framework of QCD are described. The specific features of the perturbative QCD predictions are observed in the data. This provides quantitative tests of the validity of QCD as well as determinations of the various parton distributions in the nucleon and some of the most precise measurements of the strong coupling constant αs. The future of this field of experimental physics is sketched

Chromatin Structure and Function

CERN Document Server

Wolffe, Alan P

1999-01-01

The Third Edition of Chromatin: Structure and Function brings the reader up-to-date with the remarkable progress in chromatin research over the past three years. It has been extensively rewritten to cover new material on chromatin remodeling, histone modification, nuclear compartmentalization, DNA methylation, and transcriptional co-activators and co-repressors. The book is written in a clear and concise fashion, with 60 new illustrations. Chromatin: Structure and Function provides the reader with a concise and coherent account of the nature, structure, and assembly of chromatin and its active

The ratio of structure functions for the neutron and the proton

International Nuclear Information System (INIS)

Ballintijn, M.K.

1994-01-01

The subject of this thesis is the ratio of the structure functions F 2 of the deuteron and the proton. The structure function ratio is measured by the NMC with high precision due to a dedicated target setup. In this thesis the analysis is presented of the data taken in 1989, which were obtained using incident muon energies of 120, 200 and 280 GeV. These data complement the results from earlier measurements performed in 1986 and 1987 which were obtained at 90 and 280 GeV incident muon energy. The newly determined structure function ratio, in a slightly extended range of the scaling parameter x, is compared to the previous one and is found to be in good agreement. All data are combined to give the most accurate determination of the structure function ratio to date. The results are used to determine the dependence of the structure function ratio on the value of Q 2 , the scale at which the nucleon is probed. Finally, the structure function ratios obtained at four different incident muon energies separately, are used to determine the difference R d -R p , where R is the ratio of cross sections for the absorption of longitudinally and transversely polarized virtual photons. The difference in R for the deuteron and the proton is related to differences in the gluon distribution. The result is compatible with a gluon distribution that is identical for the deuteron and the proton. The degree of equality of R d and R p is a measure for the correctness of the procedure to extract structure function ratios. The present result is R d -R p =0.02±0.02 and hence compatible with zero. (orig.)

Analysis of time-dependent reliability of degenerated reinforced concrete structure

Directory of Open Access Journals (Sweden)

Zhang Hongping

2016-07-01

Full Text Available Durability deterioration of structure is a highly random process. The maintenance of degenerated structure involves the calculation of the reliability of time-dependent structure. This study introduced reinforced concrete structure resistance decrease model and related statistical parameters of uncertainty, analyzed resistance decrease rules of corroded bending element of reinforced concrete structure, and finally calculated timedependent reliability of the corroded bending element of reinforced concrete structure, aiming to provide a specific theoretical basis for the application of time-dependent reliability theory.

Equilibration in the time-dependent Hartree-Fock approach probed with the Wigner distribution function

International Nuclear Information System (INIS)

Loebl, N.; Maruhn, J. A.; Reinhard, P.-G.

2011-01-01

By calculating the Wigner distribution function in the reaction plane, we are able to probe the phase-space behavior in the time-dependent Hartree-Fock scheme during a heavy-ion collision in a consistent framework. Various expectation values of operators are calculated by evaluating the corresponding integrals over the Wigner function. In this approach, it is straightforward to define and analyze quantities even locally. We compare the Wigner distribution function with the smoothed Husimi distribution function. Different reaction scenarios are presented by analyzing central and noncentral 16 O + 16 O and 96 Zr + 132 Sn collisions. Although we observe strong dissipation in the time evolution of global observables, there is no evidence for complete equilibration in the local analysis of the Wigner function. Because the initial phase-space volumes of the fragments barely merge and mean values of the observables are conserved in fusion reactions over thousands of fm/c, we conclude that the time-dependent Hartree-Fock method provides a good description of the early stage of a heavy-ion collision but does not provide a mechanism to change the phase-space structure in a dramatic way necessary to obtain complete equilibration.

Structural dependence of the efficiency of functionalization of silica-coated FeOx magnetic nanoparticles studied by ATR-IR

International Nuclear Information System (INIS)

Vargas, Angelo; Shnitko, Ivan; Teleki, Alexandra; Weyeneth, Stephen; Pratsinis, Sotiris E.; Baiker, Alfons

2011-01-01

The efficiency of propylamino functionalization of magnetic silica-coated FeO x nanoparticles prepared by different methods, including coprecipitation and flame aerosol synthesis, has been evaluated by attenuated total reflection infrared spectroscopy (ATR-IR) combined with a specific surface reaction, thus revealing the availability of the grafted functional groups. Large differences in the population of reactive groups were observed for the investigated materials, underlining the tight relation between the structure of nanoparticles and their suitability for organic functionalization. The materials possessed different core structure, surface area, and porosity, as evidenced by transmission electron microscopy and nitrogen adsorption-desorption isotherms. Grafting of aminopropyl groups using a standard procedure based on reaction with (3-aminopropyl)trimethoxysilane as source of the propylamino groups was performed, followed by classical dry analysis methods to determine the specific concentration of the organic functional groups (in mmol g -1 of material). ATR-IR spectroscopy in a specially constructed reactor cell was applied as wet methodology to determine the chemically available amount of such functional groups, showing that the materials possess largely different loading capacity, with a variability of up to 70% in the chemical availability of the organic functional group. The amount of (3-aminopropyl)trimethoxysilane used for functionalization was optimized, thus reaching a saturation limit characteristic of the material.

Altered Long- and Short-Range Functional Connectivity in Patients with Betel Quid Dependence: A Resting-State Functional MRI Study

Directory of Open Access Journals (Sweden)

Tao Liu

2016-12-01

Full Text Available Objective: Addiction is a chronic relapsing brain disease. Brain structural abnormalities may constitute an abnormal neural network that underlies the risk of drug dependence. We hypothesized that individuals with Betel Quid Dependence (BQD have functional connectivity alterations that can be described by long- and short-range functional connectivity density(FCD maps. Methods: We tested this hypothesis using functional magnetic resonance imaging (fMRI data from subjects of the Han ethnic group in Hainan, China. Here, we examined BQD individuals (n = 33 and age-, sex-, and education-matched healthy controls (HCs (n = 32 in a rs-fMRI study to observe FCD alterations associated with the severity of BQD. Results: Compared with HCs, long-range FCD was decreased in the right anterior cingulate cortex (ACC and increased in the left cerebellum posterior lobe (CPL and bilateral inferior parietal lobule (IPL in the BQD group. Short-range FCD was reduced in the right ACC and left dorsolateral prefrontal cortex (dlPFC, and increased in the left CPL. The short-range FCD alteration in the right ACC displayed a negative correlation with the Betel Quid Dependence Scale (BQDS (r=-0.432, P=0.012, and the long-range FCD alteration of left IPL showed a positive correlation with the duration of BQD(r=0.519, P=0.002 in BQD individuals. Conclusions: fMRI revealed differences in long- and short- range FCD in BQD individuals, and these alterations might be due to BQ chewing, BQ dependency, or risk factors for developing BQD.

Structural dependence of the multi-functionalized carbon nanotubes to the substituents on the grafted diazo compounds

Science.gov (United States)

Amiri, Rahebeh; Rasouli, Sousan; Ghasemi, Alireza; Eghbali, Babak; Mohammadi, Soutodeh

2014-05-01

Systematic studies on the covalent functionalization of multi-walled carbon nanotubes were performed by a series of azo molecules with different substituents. For this investigation, 4-substituted diazonium reagents have been used in the reaction with the functionalized multi-walled carbon nanotubes. We analyzed the effect of the substituted groups on the diazo component affinity in the grafting. Also, the structural differences of the final products were evaluated by visual dispersion test, UV-Vis absorption. Fourier transforms infrared, Raman, and several complementary techniques (scanning electron microscopy, thermal gravimetric analysis, and colorimetry test). Nuclear magnetic resonance spectroscopy has been used to confirm the allylic protons attached to the surface of carbon nanotubes after functionalization.

Structure-function relationships of human meniscus.

Science.gov (United States)

Danso, Elvis K; Oinas, Joonas M T; Saarakkala, Simo; Mikkonen, Santtu; Töyräs, Juha; Korhonen, Rami K

2017-03-01

Biomechanical properties of human meniscus have been shown to be site-specific. However, it is not known which meniscus constituents at different depths and locations contribute to biomechanical properties obtained from indentation testing. Therefore, we investigated the composition and structure of human meniscus in a site- and depth-dependent manner and their relationships with tissue site-specific biomechanical properties. Elastic and poroelastic properties were analyzed from experimental stress-relaxation and sinusoidal indentation measurements with fibril reinforced poroelastic finite element modeling. Proteoglycan (PG) and collagen contents, as well as the collagen orientation angle, were determined as a function of tissue depth using microscopic and spectroscopic methods, and they were compared with biomechanical properties. For all the measurement sites (anterior, middle and posterior) of lateral and medial menisci (n=26), PG content and collagen orientation angle increased as a function of tissue depth while the collagen content had an initial sharp increase followed by a decrease across tissue depth. The highest values (pmeniscus. This location had also higher (pmeniscus, higher (pmeniscus) significantly higher (pmeniscus modulus and/or nonlinear permeability. This study suggests that nonlinear biomechanical properties of meniscus, caused by the collagen network and fluid, may be strongly influenced by tissue osmotic swelling from the deep meniscus caused by the increased PG content, leading to increased collagen fibril tension. These nonlinear biomechanical properties are suggested to be further amplified by higher collagen content at all tissue depths and superficial collagen fibril orientation. However, these structure-function relationships are suggested to be highly site-specific. Copyright © 2016 Elsevier Ltd. All rights reserved.

Purely Functional Structured Programming

OpenAIRE

Obua, Steven

2010-01-01

The idea of functional programming has played a big role in shaping today's landscape of mainstream programming languages. Another concept that dominates the current programming style is Dijkstra's structured programming. Both concepts have been successfully married, for example in the programming language Scala. This paper proposes how the same can be achieved for structured programming and PURELY functional programming via the notion of LINEAR SCOPE. One advantage of this proposal is that m...

Proton and neutron structure functions

International Nuclear Information System (INIS)

Rock, S.

1991-01-01

New result on charged lepton scattering from hydrogen and deuterium targets by the BCDMS, NMC and SLAC collaborations have greatly increased our knowledge of the structure functions of protons and neutrons. The disagreement between the high energy muon scattering cross sections obtained by the EMC and BCDMS collaborations have been almost completely resolved by comparison with a global analysis of old and new SLAC data and a reanalysis of EMC data. We now have a consistent set of structure functions which covers an approximate range 1 ≤ Q 2 ≤ 200 (GeV/c) 2 and 0.07 ≤ x ≤ 0.7. The ratio of neutron to proton structure functions decreases with increasing Q 2 for values of x ≥ 0.1. The difference between proton and neutron structure functions approaches zero as x decreases, consistent with the expected √x behavior. (orig.)

Time-dependent density functional theory for multi-component systems

International Nuclear Information System (INIS)

Tiecheng Li; Peiqing Tong

1985-10-01

The Runge-Gross version of Hohenberg-Kohn-Sham's density functional theory is generalized to multi-component systems, both for arbitrary time-dependent pure states and for arbitrary time-dependent ensembles. (author)

Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

NARCIS (Netherlands)

Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

2017-01-01

Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

Temperature dependent XAFS studies of local atomic structure of the perovskite-type zirconates

International Nuclear Information System (INIS)

Vedrinskii, R. V.; Lemeshko, M. P.; Novakovich, A. A.; Nazarenko, E. S.; Nassif, V.; Proux, O.; Joly, Y.

2006-01-01

Temperature dependent preedge and extended x-ray absorption fine structure measurements at the Zr K edge for the perovskite-type zirconates PbZr 0.515 Ti 0.485 O 3 (PZT), PbZrO 3 (PZ), and BaZrO 3 are performed. To carry out a more accurate study of the weak reconstruction of the local atomic structure we employed a combination of two techniques: (i) analysis of the preedge fine structure, and (ii) analysis of the Fourier transform of the difference between χ(k) functions obtained at different temperatures. A detailed investigation of local atomic structure in the cubic phase for all the crystals is also performed. It is shown that neither the displacive nor the order-disorder model can describe correctly the changes of local atomic structure during phase transitions in PZ and PZT. A spherical model describing the local atomic structure of perovskite-type crystals suffering structural phase transitions is proposed

On Soft Limits of Large-Scale Structure Correlation Functions

OpenAIRE

Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

2014-01-01

We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we re-derive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literat...

Avian reovirus L2 genome segment sequences and predicted structure/function of the encoded RNA-dependent RNA polymerase protein

Directory of Open Access Journals (Sweden)

Xu Wanhong

2008-12-01

Full Text Available Abstract Background The orthoreoviruses are infectious agents that possess a genome comprised of 10 double-stranded RNA segments encased in two concentric protein capsids. Like virtually all RNA viruses, an RNA-dependent RNA polymerase (RdRp enzyme is required for viral propagation. RdRp sequences have been determined for the prototype mammalian orthoreoviruses and for several other closely-related reoviruses, including aquareoviruses, but have not yet been reported for any avian orthoreoviruses. Results We determined the L2 genome segment nucleotide sequences, which encode the RdRp proteins, of two different avian reoviruses, strains ARV138 and ARV176 in order to define conserved and variable regions within reovirus RdRp proteins and to better delineate structure/function of this important enzyme. The ARV138 L2 genome segment was 3829 base pairs long, whereas the ARV176 L2 segment was 3830 nucleotides long. Both segments were predicted to encode λB RdRp proteins 1259 amino acids in length. Alignments of these newly-determined ARV genome segments, and their corresponding proteins, were performed with all currently available homologous mammalian reovirus (MRV and aquareovirus (AqRV genome segment and protein sequences. There was ~55% amino acid identity between ARV λB and MRV λ3 proteins, making the RdRp protein the most highly conserved of currently known orthoreovirus proteins, and there was ~28% identity between ARV λB and homologous MRV and AqRV RdRp proteins. Predictive structure/function mapping of identical and conserved residues within the known MRV λ3 atomic structure indicated most identical amino acids and conservative substitutions were located near and within predicted catalytic domains and lining RdRp channels, whereas non-identical amino acids were generally located on the molecule's surfaces. Conclusion The ARV λB and MRV λ3 proteins showed the highest ARV:MRV identity values (~55% amongst all currently known ARV and MRV

A Determination of the Neutron Spin Structure Function

Energy Technology Data Exchange (ETDEWEB)

Hughes, Emlyn W

2003-08-18

The authors report the results of the experiment E142 which measured the spin dependent structure function of the neutron, g{sub 1}{sup n}(x, Q{sup 2}). The experiment was carried out at the Stanford Linear Accelerator Center by measuring an asymmetry in the deep inelastic scattering of polarized electrons from a polarized {sup 3}He target, at electron energies from 19 to 26 GeV. The structure function was determined over the kinematic range 0.03 < BJorken x < 0.6 and 1.0 < Q{sup 2} < 5.5 (GeV/c){sup 2}. An evaluation of the integral {integral}{sub 0}{sup 1} g{sub 1}{sup n}(x,Q{sup 2})dx at fixed Q{sup 2} = 2 (GeV/c){sup 2} yields the final result {Lambda}{sub 1}{sup n} = -0.032 {+-} 0.006 (stat.) {+-} 0.009 (syst.). This result, when combined with the integral of the proton spin structure function measured in other experiments, confirms the fundamental Bjorken sum rule with O({alpha}{sub s}{sup 3}) corrections to within one standard deviation. This is a major success for perturbative Quantum Chromodynamics. Some ancillary results include the findings that the Ellis-Jaffe sum rule for the neutron is violated at the 2 {sigma} level, and that the total contribution of the quarks to the helicity of the nucleon is 0.36 {+-} 0.10. The strange sea polarization is estimated to be small and negative, {Delta}s = -0.07 {+-} 0.04.

Maitra-Burke example of initial-state dependence in time-dependent density-functional theory

International Nuclear Information System (INIS)

Holas, A.; Balawender, R.

2002-01-01

In a recent paper, Maitra and Burke [Phys. Rev. A 63, 042501 (2001); 64, 039901(E) (2001)] have given an interesting and instructive example that illustrates a specific feature of the time-dependent density-functional theory--the dependence of the reconstructed time-dependent potential not only on the electron density, but also on the initial state of the system. However, a concise form of its presentation by these authors is insufficient to reveal all its peculiarities. Our paper represents a very detailed study of this valuable example, intended to facilitate a better understanding and appreciation

Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.

Directory of Open Access Journals (Sweden)

Misty L Kuhn

Full Text Available The emerging view of Nε-lysine acetylation in eukaryotes is of a relatively abundant post-translational modification (PTM that has a major impact on the function, structure, stability and/or location of thousands of proteins involved in diverse cellular processes. This PTM is typically considered to arise by the donation of the acetyl group from acetyl-coenzyme A (acCoA to the ε-amino group of a lysine residue that is reversibly catalyzed by lysine acetyltransferases and deacetylases. Here, we provide genetic, mass spectrometric, biochemical and structural evidence that Nε-lysine acetylation is an equally abundant and important PTM in bacteria. Applying a recently developed, label-free and global mass spectrometric approach to an isogenic set of mutants, we detected acetylation of thousands of lysine residues on hundreds of Escherichia coli proteins that participate in diverse and often essential cellular processes, including translation, transcription and central metabolism. Many of these acetylations were regulated in an acetyl phosphate (acP-dependent manner, providing compelling evidence for a recently reported mechanism of bacterial Nε-lysine acetylation. These mass spectrometric data, coupled with observations made by crystallography, biochemistry, and additional mass spectrometry showed that this acP-dependent acetylation is both non-enzymatic and specific, with specificity determined by the accessibility, reactivity and three-dimensional microenvironment of the target lysine. Crystallographic evidence shows acP can bind to proteins in active sites and cofactor binding sites, but also potentially anywhere molecules with a phosphate moiety could bind. Finally, we provide evidence that acP-dependent acetylation can impact the function of critical enzymes, including glyceraldehyde-3-phosphate dehydrogenase, triosephosphate isomerase, and RNA polymerase.

Composite Structural Motifs of Binding Sites for Delineating Biological Functions of Proteins

Science.gov (United States)

Kinjo, Akira R.; Nakamura, Haruki

2012-01-01

Most biological processes are described as a series of interactions between proteins and other molecules, and interactions are in turn described in terms of atomic structures. To annotate protein functions as sets of interaction states at atomic resolution, and thereby to better understand the relation between protein interactions and biological functions, we conducted exhaustive all-against-all atomic structure comparisons of all known binding sites for ligands including small molecules, proteins and nucleic acids, and identified recurring elementary motifs. By integrating the elementary motifs associated with each subunit, we defined composite motifs that represent context-dependent combinations of elementary motifs. It is demonstrated that function similarity can be better inferred from composite motif similarity compared to the similarity of protein sequences or of individual binding sites. By integrating the composite motifs associated with each protein function, we define meta-composite motifs each of which is regarded as a time-independent diagrammatic representation of a biological process. It is shown that meta-composite motifs provide richer annotations of biological processes than sequence clusters. The present results serve as a basis for bridging atomic structures to higher-order biological phenomena by classification and integration of binding site structures. PMID:22347478

Longitudinal and transverse structure functions in decaying nearly homogeneous and isotropic turbulence

International Nuclear Information System (INIS)

Ahmad Imtiaz; Lu Zhi-Ming; Liu Yu-Lu

2014-01-01

Streamwise evolution of longitudinal and transverse velocity structure functions in a decaying homogeneous and nearly isotropic turbulence is reported for Reynolds numbers Re λ up to 720. First, two theoretical relations between longitudinal and transverse structure functions are examined in the light of recently derived relations and the results show that the low-order transverse structure functions can be well approximated by longitudinal ones within the sub-inertial range. Reconstruction of fourth-order transverse structure functions with a recently proposed relation by Grauer et al. is comparatively less valid than the relation already proposed by Antonia et al. Secondly, extended self-similarity methods are used to measure the scaling exponents up to order eight and the streamwise evolution of scaling exponents is explored. The scaling exponents of longitudinal structure functions are, at first location, close to Zybin's model, and at the fourth location, close to She—Leveque model. No obvious trend is found for the streamwise evolution of longitudinal scaling exponents, whereas, on the contrary, transverse scaling exponents become slightly smaller with the development of a steamwise direction. Finally, the stremwise variation of the order-dependent isotropy ratio indicates the turbulence at the last location is closer to isotropic than the other three locations. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Spin asymmetry $A^d_1$ and the spin-dependent structure function $g^d_1$ of the deuteron at low values of $x$ and $Q^2$

CERN Document Server

Ageev, E.S.; Alexandrov, Yu.; Alexeev, G.D.; Amoroso, A.; Badelek, B.; Balestra, F.; Ball, J.; Baum, G.; Bedfer, Y.; Berglund, P.; Bernet, C.; Bertini, R.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bravar, A.; Bressan, A.; Burtin, E.; Bussa, M.P.; Bytchkov, V.N.; Cerini, L.; Chapiro, A.; Cicuttin, A.; Colantoni, M.; Colavita, A.A.; Costa, S.; Crespo, M.L.; d'Hose, N.; Dalla Torre, S.; Dasgupta, S.S.; De Masi, R.; Dedek, N.; Denisov, O.Yu.; Dhara, L.; Diaz Kavka, V.; Dinkelbach, A.M.; Dolgopolov, A.V.; Donskov, S.V.; Dorofeev, V.A.; Doshita, N.; Duic, V.; Dunnweber, W.; Ehlers, J.; Eversheim, P.D.; Eyrich, W.; Fabro, M.; Faessler, M.; Falaleev, V.; Fauland, P.; Ferrero, A.; Ferrero, L.; Finger, M.; Finger, M., Jr.; Fischer, H.; Franz, J.; Friedrich, J.M.; Frolov, V.; Fuchs, U.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.P.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gobbo, B.; Goertz, S.; Gorin, A.M.; Grajek, O.A.; Grasso, A.; Grube, B.; Grunemaier, A.; Hannappel, J.; von Harrach, D.; Hasegawa, T.; Hedicke, S.; Heinsius, F.H.; Hermann, R.; He, C.; Hinterberger, F.; von Hodenberg, M.; Horikawa, N.; Horikawa, S.; Ijaduola, R.B.; Ilgner, C.; Ioukaev, A.I.; Ishimoto, S.; Ivanov, O.; Iwata, T.; Jahn, R.; Janata, A.; Joosten, R.; Jouravlev, N.I.; Kabuss, E.; Kalinnikov, V.; Kang, D.; Karstens, F.; Kastaun, W.; Ketzer, B.; Khaustov, G.V.; Khokhlov, Yu.A.; Khomutov, N.V.; Kisselev, Yu.; Klein, F.; Koblitz, S.; Koivuniemi, J.H.; Kolosov, V.N.; Komissarov, E.V.; Kondo, K.; Konigsmann, Kay; Konoplyannikov, A.K.; Konorov, I.; Konstantinov, V.F.; Korentchenko, A.S.; Korzenev, A.; Kotzinian, A.M.; Koutchinski, N.A.; Kowalik, K.; Kravchuk, N.P.; Krivokhizhin, G.V.; Kroumchtein, Z.V.; Kuhn, R.; Kunne, F.; Kurek, K.; Ladygin, M.E.; Lamanna, M.; Le Goff, J.M.; Leberig, M.; Lichtenstadt, J.; Liska, T.; Ludwig, I.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.K.; Manuilov, I.V.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Matsuda, T.; Maximov, A.N.; Medved, K.S.; Meyer, W.; Mielech, A.; Mikhailov, Yu.V.; Moinester, M.A.; Nahle, O.; Nassalski, J.; Neliba, S.; Neyret, D.P.; Nikolaenko, V.I.; Nozdrin, A.A.; Obraztsov, V.F.; Olshevsky, A.G.; Ostrick, M.; Padee, A.; Pagano, P.; Panebianco, S.; Panzieri, D.; Paul, S.; Pereira, H.D.; Peshekhonov, D.V.; Peshekhonov, V.D.; Piragino, G.; Platchkov, S.; Platzer, K.; Pochodzalla, J.; Polyakov, V.A.; Popov, A.A.; Pretz, J.; Quintans, C.; Ramos, S.; Rebourgeard, P.C.; Reicherz, G.; Reymann, J.; Rith, K.; Rozhdestvensky, A.M.; Rondio, E.; Sadovski, A.B.; Saller, E.; Samoylenko, V.D.; Sandacz, A.; Sans, M.; Sapozhnikov, M.G.; Savin, Igor A.; Schiavon, P.; Schill, C.; Schmidt, T.; Schmitt, H.; Schmitt, L.; Shevchenko, O.Yu.; Shishkin, A.A.; Siebert, H.-W.; Sinha, L.; Sissakian, A.N.; Skachkova, A.; Slunecka, M.; Smirnov, G.I.; Sozzi, F.; Sugonyaev, V.P.; Srnka, A.; Stinzing, F.; Stolarski, M.; Sulc, M.; Sulej, R.; Takabayashi, N.; Tchalishev, V.V.; Tessarotto, F.; Teufel, A.; Thers, D.; Tkatchev, L.G.; Toeda, T.; Tretyak, V.I.; Trusov, Sergey V.; Varanda, M.; Virius, M.; Vlassov, N.V.; Wagner, M.; Webb, R.; Weise, E.; Weitzel, Q.; Wiedner, U.; Wiesmann, M.; Windmolders, R.; Wirth, S.; Wislicki, W.; Zanetti, A.M.; Zaremba, K.; Zhao, J.; Ziegler, R.; Zvyagin, A.

2007-01-01

We present a precise measurement of the deuteron longitudinal spin asymmetry $A_1^d$ and of the deuteron spin-dependent structure function $g_1^d$ at $Q^2 < $ 1~(GeV/$c$)$^2$ and $4\\cdot$10$^{-5} < x < $~2.5$\\cdot$10$^{-2}$ based on the data collected by the COMPASS experiment at CERN during the years 2002 and 2003. The statistical precision is tenfold better than that of the previous measurement in this region. The measured $A_1^d$ and $g_1^d$ are found to be consistent with zero in the whole range of $x$.

Condition dependence of male and female genital structures in the seed beetle Callosobruchus maculatus (Coleoptera: Bruchidae).

Science.gov (United States)

Cayetano, L; Bonduriansky, R

2015-07-01

Theory predicts that costly secondary sexual traits will evolve heightened condition dependence, and many studies have reported strong condition dependence of signal and weapon traits in a variety of species. However, although genital structures often play key roles in intersexual interactions and appear to be subject to sexual or sexually antagonistic selection, few studies have examined the condition dependence of genital structures, especially in both sexes simultaneously. We investigated the responses of male and female genital structures to manipulation of larval diet quality (new versus once-used mung beans) in the bruchid seed beetle Callosobruchus maculatus. We quantified effects on mean relative size and static allometry of the male aedeagus, aedeagal spines, flap and paramere and the female reproductive tract and bursal spines. None of the male traits showed a significant effect of diet quality. In females, we found that longer bursal spines (relative to body size) were expressed on low-quality diet. Although the function of bursal spines is poorly understood, we suggest that greater bursal spine length in low-condition females may represent a sexually antagonistic adaptation. Overall, we found no evidence that genital traits in C. maculatus are expressed to a greater extent when nutrients are more abundant. This suggests that, even though some genital traits appear to function as secondary sexual traits, genital traits do not exhibit heightened condition dependence in this species. We discuss possible reasons for this finding. © 2015 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2015 European Society For Evolutionary Biology.

Regge behaviour of structure functions and evolution of gluon structure function upto next-to-leading order at low-x

International Nuclear Information System (INIS)

Jamil, U.; Sarma, J.K.

2011-01-01

Evolution of gluon structure function from Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) evolution equations upto next-to-leading order at low-x is presented assuming the Regge behaviour of structure functions. We compare our results of gluon structure function with GRV 98 global parameterization and show the compatibility of Regge behaviour of structure functions with PQCD. (author)

Importance of Lorentz structure in the parton model: Target mass corrections, transverse momentum dependence, positivity bounds

International Nuclear Information System (INIS)

D'Alesio, U.; Leader, E.; Murgia, F.

2010-01-01

We show that respecting the underlying Lorentz structure in the parton model has very strong consequences. Failure to insist on the correct Lorentz covariance is responsible for the existence of contradictory results in the literature for the polarized structure function g 2 (x), whereas with the correct imposition we are able to derive the Wandzura-Wilczek relation for g 2 (x) and the target-mass corrections for polarized deep inelastic scattering without recourse to the operator product expansion. We comment briefly on the problem of threshold behavior in the presence of target-mass corrections. Careful attention to the Lorentz structure has also profound implications for the structure of the transverse momentum dependent parton densities often used in parton model treatments of hadron production, allowing the k T dependence to be derived explicitly. It also leads to stronger positivity and Soffer-type bounds than usually utilized for the collinear densities.

Structure functions from chiral soliton models

International Nuclear Information System (INIS)

Weigel, H.; Reinhardt, H.; Gamberg, L.

1997-01-01

We study nucleon structure functions within the bosonized Nambu-Jona-Lasinio (NJL) model where the nucleon emerges as a chiral soliton. We discuss the model predictions on the Gottfried sum rule for electron-nucleon scattering. A comparison with a low-scale parametrization shows that the model reproduces the gross features of the empirical structure functions. We also compute the leading twist contributions of the polarized structure functions g 1 and g 2 in this model. We compare the model predictions on these structure functions with data from the E143 experiment by GLAP evolving them from the scale characteristic for the NJL-model to the scale of the data

Imaging structural and functional brain networks in temporal lobe epilepsy

Science.gov (United States)

Bernhardt, Boris C.; Hong, SeokJun; Bernasconi, Andrea; Bernasconi, Neda

2013-01-01

Early imaging studies in temporal lobe epilepsy (TLE) focused on the search for mesial temporal sclerosis, as its surgical removal results in clinically meaningful improvement in about 70% of patients. Nevertheless, a considerable subgroup of patients continues to suffer from post-operative seizures. Although the reasons for surgical failure are not fully understood, electrophysiological and imaging data suggest that anomalies extending beyond the temporal lobe may have negative impact on outcome. This hypothesis has revived the concept of human epilepsy as a disorder of distributed brain networks. Recent methodological advances in non-invasive neuroimaging have led to quantify structural and functional networks in vivo. While structural networks can be inferred from diffusion MRI tractography and inter-regional covariance patterns of structural measures such as cortical thickness, functional connectivity is generally computed based on statistical dependencies of neurophysiological time-series, measured through functional MRI or electroencephalographic techniques. This review considers the application of advanced analytical methods in structural and functional connectivity analyses in TLE. We will specifically highlight findings from graph-theoretical analysis that allow assessing the topological organization of brain networks. These studies have provided compelling evidence that TLE is a system disorder with profound alterations in local and distributed networks. In addition, there is emerging evidence for the utility of network properties as clinical diagnostic markers. Nowadays, a network perspective is considered to be essential to the understanding of the development, progression, and management of epilepsy. PMID:24098281

Imaging structural and functional brain networks in temporal lobe epilepsy.

Science.gov (United States)

Bernhardt, Boris C; Hong, Seokjun; Bernasconi, Andrea; Bernasconi, Neda

2013-10-01

Early imaging studies in temporal lobe epilepsy (TLE) focused on the search for mesial temporal sclerosis, as its surgical removal results in clinically meaningful improvement in about 70% of patients. Nevertheless, a considerable subgroup of patients continues to suffer from post-operative seizures. Although the reasons for surgical failure are not fully understood, electrophysiological and imaging data suggest that anomalies extending beyond the temporal lobe may have negative impact on outcome. This hypothesis has revived the concept of human epilepsy as a disorder of distributed brain networks. Recent methodological advances in non-invasive neuroimaging have led to quantify structural and functional networks in vivo. While structural networks can be inferred from diffusion MRI tractography and inter-regional covariance patterns of structural measures such as cortical thickness, functional connectivity is generally computed based on statistical dependencies of neurophysiological time-series, measured through functional MRI or electroencephalographic techniques. This review considers the application of advanced analytical methods in structural and functional connectivity analyses in TLE. We will specifically highlight findings from graph-theoretical analysis that allow assessing the topological organization of brain networks. These studies have provided compelling evidence that TLE is a system disorder with profound alterations in local and distributed networks. In addition, there is emerging evidence for the utility of network properties as clinical diagnostic markers. Nowadays, a network perspective is considered to be essential to the understanding of the development, progression, and management of epilepsy.

Imaging structural and functional brain networks in temporal lobe epilepsy

Directory of Open Access Journals (Sweden)

Boris eBernhardt

2013-10-01

Full Text Available Early imaging studies in temporal lobe epilepsy (TLE focused on the search for mesial temporal sclerosis, as its surgical removal results in clinically meaningful improvement in about 70% of patients. Nevertheless, a considerable subgroup of patients continues to suffer from post-operative seizures. Although the reasons for surgical failure are not fully understood, electrophysiological and imaging data suggest that anomalies extending beyond the temporal lobe may have negative impact on outcome. This hypothesis has revived the concept of human epilepsy as a disorder of distributed brain networks. Recent methodological advances in non-invasive neuroimaging have led to quantify structural and functional networks in vivo. While structural networks can be inferred from diffusion MRI tractography and inter-regional covariance patterns of structural measures such as cortical thickness, functional connectivity is generally computed based on statistical dependencies of neurophysiological time-series, measured through functional MRI or electroencephalographic techniques. This review considers the application of advanced analytical methods in structural and functional connectivity analyses in TLE. We will specifically highlight findings from graph-theoretical analysis that allow assessing topological organization of brain networks. These studies have provided compelling evidence that TLE is a system disorder with profound alterations in local and distributed networks. In addition, there is emerging evidence for the utility of network properties as clinical diagnostic markers. Nowadays, a network perspective is considered to be essential to the understanding of the development, progression, and management of epilepsy.

Temperature dependence of conductivity in high mobility MIS structures on a base of (001) silicon

International Nuclear Information System (INIS)

Vyrodov, E.A.; Dolgopolov, V.T.; Dorozhkin, C.I.; Zhitenev, N.B.

1988-01-01

Measurements of the temperature dependence of the conductivity of two-dimensional electrons in silicon MIS structures were carried out. It is shown that the observed dependence is well described by the equation σ(T) = σ(0)(1-Q(kT var-epsilon F )-P(kT/var-epsilon F )3/2 + O[(kT/var-epsilon F ) 2 ]). The variation of the coefficient Q with the density N S of the two-dimensional electrons is determined, and it is shown that the observed trend of the Q(s) curve is described by consideration of the temperature dependence of the dielectric function of a two-dimensional electron gas

How to analyze Structure and Function in Tissue – based Diagnosis?

Directory of Open Access Journals (Sweden)

Klaus Kayser

2016-04-01

Full Text Available Background Tissue – based diagnosis (morphological analysis of human tissue judges, measures and interprets morphologic images which have been acquired from human tissue. It translates the findings into a diagnosis or description of biological functions. What are its principle algorithms and theoretical background? Theory Pathologists are used to distinguish between structure and function. Biological structures are ordered clusters of material (genes, nuclei, cells, organs, etc., which remain constant during the period of detection and observation. They are commonly embedded or appear in circumscribed spaces. These spaces are clearly separated from their environment (background. Functions are forces that act on structures. They modify their appearance, create and delete structures and their spatial relationship. The recognition of both structures and functions is dependent upon the observation time: Material that remains unchanged within the observation period is called structure, its changes between a series of observations a function. Derivatives Biological structures and functions should be interpreted in relation to the observation time. Functions can be considered structural gradients of time or of observation periods. Implementation The analysis of conventional stained histological slides reflects to a short non changeable observation time, which in reality cannot be repeated at different times on the same tissue. Acquired digital images such as virtual slides (VS offer the opportunity of simulating different observation times if object features are analyzed that reflect structural changes at different times. The measurement of immunohistochemal intensity levels performed on the same structure can be considered a time series of the binding or antigen – antibody process. The obtained frame of these measurements can be mapped on chemical significant descriptors such as Shannon’s and structural entropy, and their entropy flows. Material

Discovering context-aware conditional functional dependencies

Institute of Scientific and Technical Information of China (English)

Yuefeng DU; Derong SHEN; Tiezheng NIE; Yue KOU; Ge YU

2017-01-01

Conditional functional dependencies(CFDs) are important techniques for data consistency.However,CFDs are limited to 1) provide the reasonable values for consistency repairing and 2) detect potential errors.This paper presents context-aware conditional functional dependencies(CCFDs) which contribute to provide reasonable values and detect potential errors.Especially,we focus on automatically discovering minimal CCFDs.In this paper,we present context relativity to measure the relationship of CFDs.The overlap of the related CFDs can provide reasonable values which result in more accuracy consistency repairing,and some related CFDs are combined into CCFDs.Moreover,we prove that discovering minimal CCFDs is NP-complete and we design the precise method and the heuristic method.We also present the dominating value to facilitate the process in both the precise method and the heuristic method.Additionally,the context relativity of the CFDs affects the cleaning results.We will give an approximate threshold of context relativity according to data distribution for suggestion.The repairing results are approved more accuracy,even evidenced by our empirical evaluation.

The proton and deuteron F2 structure function at low Q2

International Nuclear Information System (INIS)

Tvaskis, Vladas; Arrington, John; Asaturyan, Razmik; Baker, Oliver; Blok, Henk; Bosted, Peter; Boswell, Melissa; Bruell, Antje; Christy, Michael; Cochran, Anthony; Ent, Rolf; Filippone, Bradley; Gasparian, Ashot; Keppel, Cynthia; Kinney, Edward; Lapikas, L.; Lorenzon, Wolfgang; Mack, David; Mammei, Juliette; Martin, J.W.; Mkrtchyan, Hamlet; Niculescu, Maria-Ioana; Piercey, Rodney; Potterveld, David; Smith, Gregory; Spurlock, Kurt; Van der Steenhoven, Gerard; Stepanyan, Stepan; Tadevosyan, Vardan; Wood, Stephen

2010-01-01

Measurements of the proton and deuteron F2 structure functions are presented. The data, taken at Jefferson Lab Hall C, span the four-momentum transfer range 0:06 < Q2 < 2:8 GeV2, and Bjorken x values from 0.009 to 0.45, thus extending the knowledge of F2 to low values of Q2 at low x. Next-to-next-to-leading order calculations using recent parton distribution functions start to deviate from the data for Q2 < 2 GeV2 at the low and high x-values. Down to the lowest value of Q2, the structure function is in good agreement with a parameterization of F2 based on data that have been taken at much higher values of Q2 or much lower values of x, and which is constrained by data at the photon point. The ratio of the deuteron and proton structure functions at low x remains well described by a logarithmic dependence on Q2 at low Q2.

Temporal Dependency and the Structure of Early Looking.

Science.gov (United States)

Messinger, Daniel S; Mattson, Whitney I; Todd, James Torrence; Gangi, Devon N; Myers, Nicholas D; Bahrick, Lorraine E

2017-01-01

Although looking time is used to assess infant perceptual and cognitive processing, little is known about the temporal structure of infant looking. To shed light on this temporal structure, 127 three-month-olds were assessed in an infant-controlled habituation procedure and presented with a pre-recorded display of a woman addressing the infant using infant-directed speech. Previous individual look durations positively predicted subsequent look durations over a six look window, suggesting a temporal dependency between successive infant looks. The previous look duration continued to predict the subsequent look duration after accounting for habituation-linked declines in look duration, and when looks were separated by an inter-trial interval in which no stimulus was displayed. Individual differences in temporal dependency, the strength of associations between consecutive look durations, are distinct from individual differences in mean infant look duration. Nevertheless, infants with stronger temporal dependency had briefer mean look durations, a potential index of stimulus processing. Temporal dependency was evident not only between individual infant looks but between the durations of successive habituation trials (total looking within a trial). Finally, temporal dependency was evident in associations between the last look at the habituation stimulus and the first look at a novel test stimulus. Thus temporal dependency was evident across multiple timescales (individual looks and trials comprised of multiple individual looks) and persisted across conditions including brief periods of no stimulus presentation and changes from a familiar to novel stimulus. Associations between consecutive look durations over multiple timescales and stimuli suggest a temporal structure of infant attention that has been largely ignored in previous work on infant looking.

Validity and factor structure of the bodybuilding dependence scale

OpenAIRE

Smith, D; Hale, B

2004-01-01

Objectives: To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders.

Fundamental Characteristics of AAA+ Protein Family Structure and Function.

Science.gov (United States)

Miller, Justin M; Enemark, Eric J

2016-01-01

Many complex cellular events depend on multiprotein complexes known as molecular machines to efficiently couple the energy derived from adenosine triphosphate hydrolysis to the generation of mechanical force. Members of the AAA+ ATPase superfamily (ATPases Associated with various cellular Activities) are critical components of many molecular machines. AAA+ proteins are defined by conserved modules that precisely position the active site elements of two adjacent subunits to catalyze ATP hydrolysis. In many cases, AAA+ proteins form a ring structure that translocates a polymeric substrate through the central channel using specialized loops that project into the central channel. We discuss the major features of AAA+ protein structure and function with an emphasis on pivotal aspects elucidated with archaeal proteins.

A Precision Measurement of the Spin Structure Function G(2)(P)

Energy Technology Data Exchange (ETDEWEB)

Benmouna, N

2004-01-05

The spin structure function g{sub 2}(x,Q{sup 2}) and the virtual photon asymmetry A{sub 2}(x,Q{sup 2}) were measured for the proton using deep inelastic scattering. The experiment was conducted at the Stanford Linear Accelerator Center (SLAC), where longitudinally polarized electrons at 29.1 and 32.3 GeV were scattered from a transversely polarized NH{sub 3} target. Large data sets were accumulated using three independent spectrometers covering a kinematic range 0.02 {le} x {le} 0.8 and 1 {le} Q{sup 2} {le} 20 (GeV/c){sup 2}. This new data is the first data precise enough to distinguish between current models for the proton. The structure function g{sub 2}{sup p} was found to be reasonably consistent with the twist-2 Wandzura-Wilczek calculation. The Q{sup 2} dependence of g{sub 2} approximately follows the Q{sup 2} dependence of g{sub 2}{sup WW}, although the data are not precise enough to rule out no Q{sup 2} dependence. The absolute value for A{sub 2}{sup p} was found to be significantly smaller than the Soffer limit over the measured range. The virtual photon asymmetry A{sub 2} was also found to be inconsistent with zero over much of the measured range.

Dynamic functional connectivity using state-based dynamic community structure: method and application to opioid analgesia.

Science.gov (United States)

Robinson, Lucy F; Atlas, Lauren Y; Wager, Tor D

2015-03-01

We present a new method, State-based Dynamic Community Structure, that detects time-dependent community structure in networks of brain regions. Most analyses of functional connectivity assume that network behavior is static in time, or differs between task conditions with known timing. Our goal is to determine whether brain network topology remains stationary over time, or if changes in network organization occur at unknown time points. Changes in network organization may be related to shifts in neurological state, such as those associated with learning, drug uptake or experimental conditions. Using a hidden Markov stochastic blockmodel, we define a time-dependent community structure. We apply this approach to data from a functional magnetic resonance imaging experiment examining how contextual factors influence drug-induced analgesia. Results reveal that networks involved in pain, working memory, and emotion show distinct profiles of time-varying connectivity. Copyright © 2014 Elsevier Inc. All rights reserved.

Dependence of a class of non-integer power functions

Directory of Open Access Journals (Sweden)

Ming Li

2016-10-01

Full Text Available This short article exhibits that there exists critical point of the power for the generalized function t-a for a > 0. The present results show that it is long-range dependent if 0  1. My motivation of studying that dependence issue comes from the power-law type functions in fractal time series. The present results may yet be useful to investigate fractal behavior of fractal time series from a new point of view.

Diquarks and nucleon structure functions

International Nuclear Information System (INIS)

Linkevich, A.D.; Savrin, V.I.; Skachkov, N.B.

1982-01-01

Formulae for structure functions of the deep-inelastic lepton-nucleon scattering are obtained through relativistic wave functions of systems composed of particles with spins 0, 1/2 and 1, 1/2. These wave functions are solutions of covariant two-particle single-time equations describing the nucleon as a system formed out of a quark and a diquark. Diquark is considered as a boson with the spin 0 and 1. The expressions for the nucleon structure functions are obtained by using the matrix elements of the current operator corresponding to the elastic scattering of the photon on a quark and on a diquark [ru

Direction dependent structures in general relativity

International Nuclear Information System (INIS)

Herberthson, M.

1993-01-01

This thesis deals with, within the theory of general relativity, asymptotic properties of certain types of space-times. Using conformal transformations, it is possible to describe asymptotic properties of a physical space-time in terms of the local behaviour of the new, rescaled space-time. One then uses so called direction dependent structures. We present two such structures and applications to them. One structure is used in the study of spacelike (or spatial) infinity. We discuss the asymptotic conditions on the gravitational and the electromagnetic field, especially the conditions put on directions corresponding to future and past null infinity. It is shown that these fields have desired physical properties. The other structure is used in connection with timelike infinity. Using this structure, we suggest a new definition of timelike infinity. This definition differs significantly from earlier definitions, and leads to the concept of asymptotically stationary space-times. We also suggest a definition of asymptotic flatness at future null infinity, and a definition of a black hole which is, in a sense, local. Both of these definitions fit nicely into the structure. (24 refs.)

Study of quark structure functions

International Nuclear Information System (INIS)

Dao, F.T.; Flaminio, E.; Lai, K.; Metcalf, M.; Wang, L.

1977-01-01

The quark structure functions of the proton are determined through a combined analysis of the reactions pN → ll-barX and eN → eX. The valence-quark structure function of the pion is also given by analyzing the πN → μμ-barX data measured by the Branson et al

Cloning and functional expression of a plant voltage-dependent chloride channel.

Science.gov (United States)

Lurin, C; Geelen, D; Barbier-Brygoo, H; Guern, J; Maurel, C

1996-01-01

Plant cell membrane anion channels participate in basic physiological functions, such as cell volume regulation and signal transduction. However, nothing is known about their molecular structure. Using a polymerase chain reaction strategy, we have cloned a tobacco cDNA (CIC-Nt1) encoding a 780-amino acid protein with several putative transmembrane domains. CIC-Nt1 displays 24 to 32% amino acid identity with members of the animal voltage-dependent chloride channel (CIC) family, whose archetype is CIC-0 from the Torpedo marmorata electric organ. Injection of CIC-Nt1 complementary RNA into Xenopus oocytes elicited slowly activating inward currents upon membrane hyperpolarization more negative than -120 mV. These currents were carried mainly by anions, modulated by extracellular anions, and totally blocked by 10 mM extracellular calcium. The identification of CIC-Nt1 extends the CIC family to higher plants and provides a molecular probe for the study of voltage-dependent anion channels in plants. PMID:8624442

Exact Time-Dependent Wave Functions of a Confined Time-Dependent Harmonic Oscillator with Two Moving Boundaries

International Nuclear Information System (INIS)

Lo, C.F.

2009-01-01

By applying the standard analytical techniques of solving partial differential equations, we have obtained the exact solution in terms of the Fourier sine series to the time-dependent Schroedinger equation describing a quantum one-dimensional harmonic oscillator of time-dependent frequency confined in an infinite square well with the two walls moving along some parametric trajectories. Based upon the orthonormal basis of quasi-stationary wave functions, the exact propagator of the system has also been analytically derived. Special cases like (i) a confined free particle, (ii) a confined time-independent harmonic oscillator, and (iii) an aging oscillator are examined, and the corresponding time-dependent wave functions are explicitly determined. Besides, the approach has been extended to solve the case of a confined generalized time-dependent harmonic oscillator for some parametric moving boundaries as well. (general)

The origin of nuclear mass number dependence in EMC-effect

International Nuclear Information System (INIS)

Kurihara, Y.; Date, S.; Nakamura, A.; Sato, H.; Sumiyoshi, H.; Yoshinada, K.

1985-03-01

The origin of the mass number dependence of the nucleon structure functions extracted from the deep inelastic lepton-nucleus scattering is investigated by factorizing the structure function into A and x dependent parts. It is found that the mass number dependence is determined by the probability of exotic components in multi-nucleon overlap. This suggests that the deformation of the nucleon structure function is caused by the interaction among nucleons during their overlap. (author)

Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

Science.gov (United States)

Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua

2011-08-28

We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.

Measurement of the Polarized Structure Function $g_1^p$ at HERA

CERN Document Server

Ball, R.D.; Forte, S.; Hughes, V.W.; Lichtenstadt, J.; Ridolfi, G.; Ball, Richard D.; Deshpande, Abhay; Forte, Stefano; Hughes, Vernon W.; Lichtenstadt, Jechiel; Ridolfi, Giovanni

1996-01-01

We present estimates of possible data on spin-dependent asymmetries in inclusive scattering of high energy polarized electrons by high energy polarized protons at HERA, including statistical errors, and discuss systematic uncertainties. We show that these data would shed light on the small x behaviour of the polarized structure function g_1, and would reduce substantially the uncertainty on the determination of the polarized gluon distribution.

Progress in the structural understanding of voltage-gated calcium channel (CaV) function and modulation.

Science.gov (United States)

Minor, Daniel L; Findeisen, Felix

2010-01-01

Voltage-gated calcium channels (CaVs) are large, transmembrane multiprotein complexes that couple membrane depolarization to cellular calcium entry. These channels are central to cardiac action potential propagation, neurotransmitter and hormone release, muscle contraction, and calcium-dependent gene transcription. Over the past six years, the advent of high-resolution structural studies of CaV components from different isoforms and CaV modulators has begun to reveal the architecture that underlies the exceptionally rich feedback modulation that controls CaV action. These descriptions of CaV molecular anatomy have provided new, structure-based insights into the mechanisms by which particular channel elements affect voltage-dependent inactivation (VDI), calcium‑dependent inactivation (CDI), and calcium‑dependent facilitation (CDF). The initial successes have been achieved through structural studies of soluble channel domains and modulator proteins and have proven most powerful when paired with biochemical and functional studies that validate ideas inspired by the structures. Here, we review the progress in this growing area and highlight some key open challenges for future efforts.

Non-Stationary Dependence Structures for Spatial Extremes

KAUST Repository

Huser, Raphaë l; Genton, Marc G.

2016-01-01

been developed, and fitted to various types of data. However, a recurrent problem is the modeling of non-stationarity. In this paper, we develop non-stationary max-stable dependence structures in which covariates can be easily incorporated. Inference

CALCULATED TEMPERATURE RISE AND THERMAL ELONGATION OF STRUCTURAL COMPONENTS, DEPENDING ON ACTION INTEGRAL OF INJECTED LIGHTNING CURRENTS

DEFF Research Database (Denmark)

Madsen, Søren Find

2005-01-01

expressions established, accounts for the geometry of the structure (round conductor, rectangular cross section, pipe, plane sheet, etc), the material properties (Aluminum, Copper, Carbon Fiber Composites, etc.), the frequency of the current (skin depth) and the Specific Energy (Action Integral). For linear...... structures (wires, bars etc.), the result is the resistance of the structure, the final temperature, and the thermal elongation depending on geometry and material properties. Regarding arc injection in the centre of plane specimens the equations enables calculation of the temperature as a function...

Structure functions and correlations in nuclei

International Nuclear Information System (INIS)

Fantoni, S.

1988-01-01

In this paper the results obtained for the static structure function S(k) and the longitudinal structure function S L (k) of 3 H, 3 He and 4 He nuclei and nuclear matter are presented and discussed. The calculations have been performed using realistic wave functions obtained from Faddeev and variational theories. The Monte Carlo method has been used to calculate the structure functions of finite systems, and the FHNC/SOC method for nuclear matter. The results for the 3 He nucleus are in agreement with the recent Saclay data. The results for nuclear matter are compared with the experimental data relative to heavier nuclei, like e.g. 40 Ca

Hantaviral proteins: structure, functions and role in hantavirus infection

Directory of Open Access Journals (Sweden)

Musalwa eMuyangwa

2015-11-01

Full Text Available Hantaviruses are the members of the family Bunyaviridae that are naturally maintained in the populations of small mammals, mostly rodents. Most of these viruses can easily infect humans through contact with aerosols or dust generated by contaminated animal waste products. Depending on the particular hantavirus involved, human infection could result in either Hemorrhagic Fever with Renal Syndrome (HFRS or in Hantavirus Cardiopulmonary Syndrome (HCPS. In the past few years, clinical cases of the hantavirus caused diseases have been on the rise. Understanding structure of the hantavirus genome and the functions of the key viral proteins is critical for the therapeutic agents’ research. This paper gives a brief overview of the current knowledge on the structure and properties of the hantavirus nucleoprotein and the glycoproteins.

Measurement of the diffractive structure function in deep inelastic scattering hat HERA

International Nuclear Information System (INIS)

Derrick, M.; Krakauer, D.; Magill, S.

1995-05-01

This paper presents an analysis of the inclusive properties of diffractive deep inelastic scattering events produced in ep interactions at HERA. The events are characterised by a rapidity gap between the outgoing proton system and the remaining hadronic system. Inclusive distributions are presented and compared with Monte Carlo models for diffractive processes. The data are consistent with models where the pomeron structure function has a hard and a soft contribution. The diffractive structure function is measured as a function of x IP , the momentum fraction lost by the proton, of β, the momentum fraction of the struck quark with respect to x IP , and of Q 2 . The x IP dependence is consistent with the form (1/x IP ) a where a=1.30-±0.80(stat) -0.14 +0.08 (sys) in all bins of βand Q 2 . In the measured Q 2 range, the diffractive structure function approximately scales with Q 2 at fixed β. In an Ingelman-Schlein type model, where commonly used pomeron flux factor normalisations are assumed, it is found that the quarks within the pomeron do not saturate the momentum sum rule. (orig.)

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

International Nuclear Information System (INIS)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-01-01

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions.

Science.gov (United States)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-04-14

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

Phenomenology of the electron structure function

International Nuclear Information System (INIS)

Slominski, W.; Szwed, J.

2001-01-01

The advantages of introducing the electron structure function (ESF) in electron induced processes are demonstrated. Contrary to the photon structure function it is directly measured in such processes. At present energies, a simultaneous analysis of both the electron and the photon structure functions gives an important test of the experimentally applied methods. Estimates of the ESF at LEP momenta are given. At very high momenta contributions from W and Z bosons together with γ-Z interference can be observed. Predictions for the next generation of experiments are given. (orig.)

Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

Science.gov (United States)

ShunLi Shang; Louis G. Hector Jr.; Paul Saxe; Zi-Kui Liu; Robert J. Moon; Pablo D. Zavattieri

2014-01-01

Anisotropy and temperature dependence of structural, thermodynamic and elastic properties of crystalline cellulose Iβ were computed with first-principles density functional theory (DFT) and a semi-empirical correction for van der Waals interactions. Specifically, we report the computed temperature variation (up to 500...

Structural insights into lipid-dependent reversible dimerization of human GLTP

International Nuclear Information System (INIS)

Samygina, Valeria R.; Ochoa-Lizarralde, Borja; Popov, Alexander N.; Cabo-Bilbao, Aintzane; Goni-de-Cerio, Felipe; Molotkovsky, Julian G.; Patel, Dinshaw J.; Brown, Rhoderick E.; Malinina, Lucy

2013-01-01

It is shown that dimerization is promoted by glycolipid binding to human GLTP. The importance of dimer flexibility in wild-type protein is manifested by point mutation that ‘locks’ the dimer while diversifying ligand/protein adaptations. Human glycolipid transfer protein (hsGLTP) forms the prototypical GLTP fold and is characterized by a broad transfer selectivity for glycosphingolipids (GSLs). The GLTP mutation D48V near the ‘portal entrance’ of the glycolipid binding site has recently been shown to enhance selectivity for sulfatides (SFs) containing a long acyl chain. Here, nine novel crystal structures of hsGLTP and the SF-selective mutant complexed with short-acyl-chain monoSF and diSF in different crystal forms are reported in order to elucidate the potential functional roles of lipid-mediated homodimerization. In all crystal forms, the hsGLTP–SF complexes displayed homodimeric structures supported by similarly organized intermolecular interactions. The dimerization interface always involved the lipid sphingosine chain, the protein C-terminus (C-end) and α-helices 6 and 2, but the D48V mutant displayed a ‘locked’ dimer conformation compared with the hinge-like flexibility of wild-type dimers. Differences in contact angles, areas and residues at the dimer interfaces in the ‘flexible’ and ‘locked’ dimers revealed a potentially important role of the dimeric structure in the C-end conformation of hsGLTP and in the precise positioning of the key residue of the glycolipid recognition centre, His140. ΔY207 and ΔC-end deletion mutants, in which the C-end is shifted or truncated, showed an almost complete loss of transfer activity. The new structural insights suggest that ligand-dependent reversible dimerization plays a role in the function of human GLTP

Classical Solutions of Path-Dependent PDEs and Functional Forward-Backward Stochastic Systems

Directory of Open Access Journals (Sweden)

Shaolin Ji

2013-01-01

Full Text Available In this paper we study the relationship between functional forward-backward stochastic systems and path-dependent PDEs. In the framework of functional Itô calculus, we introduce a path-dependent PDE and prove that its solution is uniquely determined by a functional forward-backward stochastic system.

Naltrexone ameliorates functional network abnormalities in alcohol‐dependent individuals

Science.gov (United States)

Baek, Kwangyeol; Tait, Roger; Elliott, Rebecca; Ersche, Karen D.; Flechais, Remy; McGonigle, John; Murphy, Anna; Nestor, Liam J.; Orban, Csaba; Passetti, Filippo; Paterson, Louise M.; Rabiner, Ilan; Reed, Laurence; Smith, Dana; Suckling, John; Taylor, Eleanor M.; Bullmore, Edward T.; Lingford‐Hughes, Anne R.; Deakin, Bill; Nutt, David J.; Sahakian, Barbara J.; Robbins, Trevor W.; Voon, Valerie

2017-01-01

Abstract Naltrexone, an opioid receptor antagonist, is commonly used as a relapse prevention medication in alcohol and opiate addiction, but its efficacy and the mechanisms underpinning its clinical usefulness are not well characterized. In the current study, we examined the effects of 50‐mg naltrexone compared with placebo on neural network changes associated with substance dependence in 21 alcohol and 36 poly‐drug‐dependent individuals compared with 36 healthy volunteers. Graph theoretic and network‐based statistical analysis of resting‐state functional magnetic resonance imaging (MRI) data revealed that alcohol‐dependent subjects had reduced functional connectivity of a dispersed network compared with both poly‐drug‐dependent and healthy subjects. Higher local efficiency was observed in both patient groups, indicating clustered and segregated network topology and information processing. Naltrexone normalized heightened local efficiency of the neural network in alcohol‐dependent individuals, to the same levels as healthy volunteers. Naltrexone failed to have an effect on the local efficiency in abstinent poly‐substance‐dependent individuals. Across groups, local efficiency was associated with substance, but no alcohol exposure implicating local efficiency as a potential premorbid risk factor in alcohol use disorders that can be ameliorated by naltrexone. These findings suggest one possible mechanism for the clinical effects of naltrexone, namely, the amelioration of disrupted network topology. PMID:28247526

Association between insulin and executive functioning in alcohol dependence: a pilot study.

Science.gov (United States)

Han, Changwoo; Bae, Hwallip; Won, Sung-Doo; Lim, Jaeyoung; Kim, Dai-Jin

2015-01-01

Alcohol dependence is a disorder ascribable to multiple factors and leads to cognitive impairment. Given that insulin dysregulation can cause cognitive impairment, patients with alcohol dependence are likely to develop insulin dysregulation such as that in diabetes. The purposes of this study are to identify an association between cognitive functioning and insulin and to investigate insulin as the biomarker of cognitive functioning in alcohol-dependent patients. Serum insulin levels were measured and cognitive functions were assessed in 45 patients with chronic alcoholism. The Korean version of the Consortium to Establish a Registry for Alzheimer's Disease (CERAD-K), a battery of cognitive function tests, was used to assess cognitive functioning. Serum insulin levels were not significantly correlated with most CERAD-K scores, but there was a significant negative correlation with scores on the Trail Making Test B, which is designed to measure executive functioning. Lower serum insulin levels were associated with slower executive functioning responses on the Trail Making Test B, suggesting that executive functioning may be in proportion to serum insulin levels. Thus, in patients with alcohol dependence, insulin level is associated with cognitive functioning. In addition, the present findings suggest that insulin level is a potential biomarker for determining cognitive functioning.

Time-dependent friction and solvation time correlation function

International Nuclear Information System (INIS)

Samanta, Alok; Ali, Sk Musharaf; Ghosh, Swapan K

2005-01-01

We have derived a new relation between the time-dependent friction and solvation time correlation function (STCF) for non-polar fluids. The friction values calculated using this relation and simulation results on STCF for a Lennard-Jones fluid are shown to have excellent agreement with the same obtained through mode-coupling theory. Also derived is a relation between the time-dependent dielectric friction and STCF for polar fluids. Routes are thus provided to obtain the time-dependent friction (non-polar as well as dielectric) from an experimentally measured quantity like STCF, even if the interparticle interaction potential is not known

Evolution of Voltage-Dependent Anion Channel Function: From Molecular Sieve to Governator to Actuator of Ferroptosis

Directory of Open Access Journals (Sweden)

John J. Lemasters

2017-12-01

Full Text Available The voltage-dependent anion channel (VDAC is well known as the pathway for passive diffusion of anionic hydrophilic mitochondrial metabolites across the outer membrane, but a more complex functionality of the three isoforms of VDAC has emerged, as addressed in the Frontiers in Oncology Research Topic on “Uncovering the Function of the Mitochondrial Protein VDAC in Health and Disease: from Structure-Function to Novel Therapeutic Strategies.” VDAC as the single most abundant protein in mitochondrial outer membranes is typically involved in isoform-specific interactions of the mitochondrion with its surroundings as, for example, during mitochondria-dependent pathways of cell death. VDAC closure can also act as an adjustable limiter (governator of global mitochondrial metabolism, as during hepatic ethanol metabolism to promote selective oxidation of membrane-permeant acetaldehyde. In cancer cells, high free tubulin inhibits VDAC1 and VDAC2, contributing to suppression of mitochondrial function in the Warburg phenomenon. Erastin, the canonical inducer of ferroptosis, opens VDAC in the presence of tubulin and hyperpolarizes mitochondria, leading to mitochondrial production of reactive oxygen species, mitochondrial dysfunction, and cell death. Our understanding of VDAC function continues to evolve.

Ferromagnetism and temperature-dependent electronic structure in metallic films

International Nuclear Information System (INIS)

Herrmann, T.

1999-01-01

In this work the influence of the reduced translational symmetry on the magnetic properties of thin itinerant-electron films and surfaces is investigated within the strongly correlated Hubbard model. Firstly, the possibility of spontaneous ferromagnetism in the Hubbard model is discussed for the case of systems with full translational symmetry. Different approximation schemes for the solution of the many-body problem of the Hubbard model are introduced and discussed in detail. It is found that it is vital for a reasonable description of spontaneous ferromagnetism to be consistent with exact results concerning the general shape of the single-electron spectral density in the limit of strong Coulomb interaction between the electrons. The temperature dependence of the ferromagnetic solutions is discussed in detail by use of the magnetization curves as well as the spin-dependent quasi particle spectrum. For the investigation of thin films and surfaces the approximation schemes for the bulk system have to be generalized to deal with the reduced translational symmetry. The magnetic behavior of thin Hubbard films is investigated by use of the layer dependent magnetization as a function of temperature as well as the thickness of the film. The Curie-temperature is calculated as a function of the film thickness. Further, the magnetic stability at the surface is discussed in detail. Here it is found that for strong Coulomb interaction the magnetic stability at finite temperatures is reduced at the surface compared to the inner layers. This observation clearly contradicts the well-known Stoner picture of band magnetism and can be explained in terms of general arguments which are based on exact results in the limit of strong Coulomb interaction. The magnetic behavior of the Hubbard films can be analyzed in detail by inspecting the local quasi particle density of states as well as the wave vector dependent spectral density. The electronic structure is found to be strongly spin

An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase

Energy Technology Data Exchange (ETDEWEB)

Davies, Douglas R.; Staker, Bart L.; Abendroth, Jan A.; Edwards, Thomas E.; Hartley, Robert; Leonard, Jess; Kim, Hidong; Rychel, Amanda L.; Hewitt, Stephen N.; Myler, Peter J.; Stewart, Lance J. (UWASH); (Emerald)

2011-12-07

Burkholderia pseudomallei is a soil-dwelling bacterium endemic to Southeast Asia and Northern Australia. Burkholderia is responsible for melioidosis, a serious infection of the skin. The enzyme 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase (PGAM) catalyzes the interconversion of 3-phosphoglycerate and 2-phosphoglycerate, a key step in the glycolytic pathway. As such it is an extensively studied enzyme and X-ray crystal structures of PGAM enzymes from multiple species have been elucidated. Vanadate is a phosphate mimic that is a powerful tool for studying enzymatic mechanisms in phosphoryl-transfer enzymes such as phosphoglycerate mutase. However, to date no X-ray crystal structures of phosphoglycerate mutase have been solved with vanadate acting as a substrate mimic. Here, two vanadate complexes together with an ensemble of substrate and fragment-bound structures that provide a comprehensive picture of the function of the Burkholderia enzyme are reported.

Wave Functions for Time-Dependent Dirac Equation under GUP

Science.gov (United States)

Zhang, Meng-Yao; Long, Chao-Yun; Long, Zheng-Wen

2018-04-01

In this work, the time-dependent Dirac equation is investigated under generalized uncertainty principle (GUP) framework. It is possible to construct the exact solutions of Dirac equation when the time-dependent potentials satisfied the proper conditions. In (1+1) dimensions, the analytical wave functions of the Dirac equation under GUP have been obtained for the two kinds time-dependent potentials. Supported by the National Natural Science Foundation of China under Grant No. 11565009

Structural and Functional Phenotyping of the Failing Heart: Is the Left Ventricular Ejection Fraction Obsolete?

Science.gov (United States)

Bristow, Michael R; Kao, David P; Breathett, Khadijah K; Altman, Natasha L; Gorcsan, John; Gill, Edward A; Lowes, Brian D; Gilbert, Edward M; Quaife, Robert A; Mann, Douglas L

2017-11-01

Diagnosis, prognosis, treatment, and development of new therapies for diseases or syndromes depend on a reliable means of identifying phenotypes associated with distinct predictive probabilities for these various objectives. Left ventricular ejection fraction (LVEF) provides the current basis for combined functional and structural phenotyping in heart failure by classifying patients as those with heart failure with reduced ejection fraction (HFrEF) and those with heart failure with preserved ejection fraction (HFpEF). Recently the utility of LVEF as the major phenotypic determinant of heart failure has been challenged based on its load dependency and measurement variability. We review the history of the development and adoption of LVEF as a critical measurement of LV function and structure and demonstrate that, in chronic heart failure, load dependency is not an important practical issue, and we provide hemodynamic and molecular biomarker evidence that LVEF is superior or equal to more unwieldy methods of identifying phenotypes of ventricular remodeling. We conclude that, because it reliably measures both left ventricular function and structure, LVEF remains the best current method of assessing pathologic remodeling in heart failure in both individual clinical and multicenter group settings. Because of the present and future importance of left ventricular phenotyping in heart failure, LVEF should be measured by using the most accurate technology and methodologic refinements available, and improved characterization methods should continue to be sought. Copyright © 2017 American College of Cardiology Foundation. Published by Elsevier Inc. All rights reserved.

Wavelet-based linear-response time-dependent density-functional theory

International Nuclear Information System (INIS)

Natarajan, Bhaarathi; Genovese, Luigi; Casida, Mark E.; Deutsch, Thierry; Burchak, Olga N.

2012-01-01

Highlights: ► We has been implemented LR-TD-DFT in the pseudopotential wavelet-based program. ► We have compared the results against all-electron Gaussian-type program. ► Orbital energies converges significantly faster for BigDFT than for DEMON2K. ► We report the X-ray crystal structure of the small organic molecule flugi6. ► Measured and calculated absorption spectrum of flugi6 is also reported. - Abstract: Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BIGDFT and results are compared against those obtained with the all-electron Gaussian-type orbital program DEMON2K for the calculation of electronic absorption spectra of N 2 using the TD local density approximation (LDA). The two programs give comparable excitation energies and absorption spectra once suitably extensive basis sets are used. Convergence of LDA density orbitals and orbital energies to the basis-set limit is significantly faster for BIGDFT than for DEMON2K. However the number of virtual orbitals used in TD-DFT calculations is a parameter in BIGDFT, while all virtual orbitals are included in TD-DFT calculations in DEMON2K. As a reality check, we report the X-ray crystal structure and the measured and calculated absorption spectrum (excitation energies and oscillator strengths) of the small organic molecule N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1, 2-a]pyridin-3-amine.

Structure functions in the decay τ±→π±π0π0ντ

International Nuclear Information System (INIS)

Browder, T. E.; Li, Y.; Rodriguez, J. L.; Yamamoto, H.; Bergfeld, T.; Eisenstein, B. I.; Ernst, J.; Gladding, G. E.; Gollin, G. D.; Hans, R. M.

2000-01-01

Using the CLEO II detector operating at the Cornell Electron Storage Ring (CESR) e + e - collider, we have measured the structure functions in the decay τ ± →π ± π 0 π 0 ν τ , based on a sample corresponding to 4x10 6 produced τ-pair events. We determine the integrated structure functions, which depend only on the three pion invariant mass, as well as the structure functions differential in the Dalitz plot variables. We extract model independent limits on non-axial-vector contributions from the measured structure functions as less than 16.6% of the total branching fraction, at the 95% confidence level. Separating the non-axial-vector contributions into scalar and vector contributions, we measure that scalars (vectors) contribute with less than 9.4% (7.3%) to the total branching fraction, at the 95% confidence level. (c) 2000 The American Physical Society

Altered Brain Functional Connectivity in Betel Quid-Dependent Chewers.

Science.gov (United States)

Huang, Xiaojun; Pu, Weidan; Liu, Haihong; Li, Xinmin; Greenshaw, Andrew J; Dursun, Serdar M; Xue, Zhimin; Liu, Zhening

2017-01-01

Betel quid (BQ) is a common psychoactive substance worldwide with particularly high usage in many Asian countries. This study aimed to explore the effect of BQ use on functional connectivity by comparing global functional brain networks and their subset between BQ chewers and healthy controls (HCs). Resting-state functional magnetic resonance imaging (fMRI) was obtained from 24 betel quid-dependent (BQD) male chewers and 27 healthy male individuals on a 3.0T scanner. We used independent component analysis (ICA) to determine components that represent the brain's functional networks and their spatial aspects of functional connectivity. Two sample t -tests were used to identify the functional connectivity differences in each network between these two groups. Seventeen networks were identified by ICA. Nine of them showed connectivity differences between BQD and HCs (two sample t -tests, p  betel quid dependence scale scores were positively related to the increased functional connectivity in the orbitofrontal ( r  = 0.39, p  = 0.03) while negatively related to the decreased functional connectivity in medial frontal/anterior cingulate networks ( r  = -0.35, p  = 0.02). Our findings provide further evidence that BQ chewing may lead to brain functional connectivity changes, which may play a key role in the psychological and physiological effects of BQ.

Gluon structure function of a color dipole in the light-cone limit of lattice QCD

International Nuclear Information System (INIS)

Gruenewald, D.; Ilgenfritz, E.-M.; Pirner, H. J.

2009-01-01

We calculate the gluon structure function of a color dipole in near-light-cone SU(2) lattice QCD as a function of x B . The quark and antiquark are external nondynamical degrees of freedom which act as sources of the gluon string configuration defining the dipole. We compute the color dipole matrix element of transversal chromo-electric and chromo-magnetic field operators separated along a direction close to the light cone, the Fourier transform of which is the gluon structure function. As vacuum state in the pure glue sector, we use a variational ground state of the near-light-cone Hamiltonian. We derive a recursion relation for the gluon structure function on the lattice similar to the perturbative Dokshitzer-Gribov-Lipatov-Altarelli-Parisi equation. It depends on the number of transversal links assembling the Schwinger string of the dipole. Fixing the mean momentum fraction of the gluons to the 'experimental value' in a proton, we compare our gluon structure function for a dipole state with four links with the next-to-leading-order MRST 2002 and the CTEQ AB-0 parametrizations at Q 2 =1.5 GeV 2 . Within the systematic uncertainty we find rather good agreement. We also discuss the low x B behavior of the gluon structure function in our model calculation.

Effects of selenium on the structure and function of recombinant human S-adenosyl-L-methionine dependent arsenic (+3 oxidation state) methyltransferase in E. coli.

Science.gov (United States)

Geng, Zhirong; Song, Xiaoli; Xing, Zhi; Geng, Jinlong; Zhang, Sichun; Zhang, Xinrong; Wang, Zhilin

2009-05-01

The effects of Se(IV) on the structure and function of recombinant human arsenic (+3 oxidation state) methyltransferase (AS3MT) purified from the cytoplasm of Escherichia coli were studied. The coding region of human AS3MT complementary DNA was amplified from total RNA extracted from HepG2 cell by reverse transcription PCR. Soluble and active human AS3MT was expressed in the E. coli with a Trx fusion tag under a lower induction temperature of 25 degrees C. Spectra (UV-vis, circular dichroism, and fluorescence) were first used to probe the interaction of Se(IV) and recombinant human AS3MT and the structure-function relationship of the enzyme. The recombinant human AS3MT had a secondary structure of 29.0% alpha-helix, 23.9% beta-pleated sheet, 17.9% beta-turn, and 29.2% random coil. When Se(IV) was added, the content of the alpha-helix did not change, but that of the beta-pleated sheet increased remarkably in the conformation of recombinant human AS3MT. Se(IV) inhibited the enzymatic methylation of inorganic As(III) in a concentration-dependent manner. The IC(50) value for Se(IV) was 2.38 muM. Double-reciprocal (1/V vs. 1/[inorganic As(III)]) plots showed Se(IV) to be a noncompetitive inhibitor of the methylation of inorganic As(III) by recombinant human AS3MT with a K (i) value of 2.61 muM. We hypothesized that Se(IV) interacts with the sulfhydryl group of cysteine(s) in the structural residues rather than the cysteines of the active site (Cys156 and Cys206). When Se(IV) was combined with cysteine(s) in the structural residues, the conformation of recombinant human AS3MT changed and the enzymatic activity decreased. Considering the quenching of tryptophan fluorescence, Cys72 and/or Cys226 are deduced to be primary targets for Se(IV).

Structure and Structure-activity Relationship of Functional Organic Molecules

Institute of Scientific and Technical Information of China (English)

2011-01-01

@@ Research theme The group is made up of junior scientists from the State Key Laboratory of Elemento-organic Chemistry, Nankai University.The scientists focus their studis on the structure and structure-activity relationship of functional organic molecules not only because it has been the basis of their research, but also because the functional study of organic compounds is now a major scientific issue for organic chemists around the world.

The Structure-Function Linkage Database.

Science.gov (United States)

Akiva, Eyal; Brown, Shoshana; Almonacid, Daniel E; Barber, Alan E; Custer, Ashley F; Hicks, Michael A; Huang, Conrad C; Lauck, Florian; Mashiyama, Susan T; Meng, Elaine C; Mischel, David; Morris, John H; Ojha, Sunil; Schnoes, Alexandra M; Stryke, Doug; Yunes, Jeffrey M; Ferrin, Thomas E; Holliday, Gemma L; Babbitt, Patricia C

2014-01-01

The Structure-Function Linkage Database (SFLD, http://sfld.rbvi.ucsf.edu/) is a manually curated classification resource describing structure-function relationships for functionally diverse enzyme superfamilies. Members of such superfamilies are diverse in their overall reactions yet share a common ancestor and some conserved active site features associated with conserved functional attributes such as a partial reaction. Thus, despite their different functions, members of these superfamilies 'look alike', making them easy to misannotate. To address this complexity and enable rational transfer of functional features to unknowns only for those members for which we have sufficient functional information, we subdivide superfamily members into subgroups using sequence information, and lastly into families, sets of enzymes known to catalyze the same reaction using the same mechanistic strategy. Browsing and searching options in the SFLD provide access to all of these levels. The SFLD offers manually curated as well as automatically classified superfamily sets, both accompanied by search and download options for all hierarchical levels. Additional information includes multiple sequence alignments, tab-separated files of functional and other attributes, and sequence similarity networks. The latter provide a new and intuitively powerful way to visualize functional trends mapped to the context of sequence similarity.

Polarized DIS Structure Functions from Neural Networks

International Nuclear Information System (INIS)

Del Debbio, L.; Guffanti, A.; Piccione, A.

2007-01-01

We present a parametrization of polarized Deep-Inelastic-Scattering (DIS) structure functions based on Neural Networks. The parametrization provides a bias-free determination of the probability measure in the space of structure functions, which retains information on experimental errors and correlations. As an example we discuss the application of this method to the study of the structure function g 1 p (x,Q 2 )

Structural dependence of the efficiency of functionalization of silica-coated FeO{sub x} magnetic nanoparticles studied by ATR-IR

Energy Technology Data Exchange (ETDEWEB)

Vargas, Angelo; Shnitko, Ivan [Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Wolfgang Pauli Strasse 10, Hoenggerberg, HCI, 8093 Zurich (Switzerland); Teleki, Alexandra [Institute of Process Engineering, Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich (Switzerland); Weyeneth, Stephen [Physik-Institut der Universitaet Zuerich, Winterthurerstrasse 190, 8057 Zuerich (Switzerland); Pratsinis, Sotiris E. [Institute of Process Engineering, Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich (Switzerland); Baiker, Alfons, E-mail: baiker@chem.ethz.ch [Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Wolfgang Pauli Strasse 10, Hoenggerberg, HCI, 8093 Zurich (Switzerland)

2011-01-15

The efficiency of propylamino functionalization of magnetic silica-coated FeO{sub x} nanoparticles prepared by different methods, including coprecipitation and flame aerosol synthesis, has been evaluated by attenuated total reflection infrared spectroscopy (ATR-IR) combined with a specific surface reaction, thus revealing the availability of the grafted functional groups. Large differences in the population of reactive groups were observed for the investigated materials, underlining the tight relation between the structure of nanoparticles and their suitability for organic functionalization. The materials possessed different core structure, surface area, and porosity, as evidenced by transmission electron microscopy and nitrogen adsorption-desorption isotherms. Grafting of aminopropyl groups using a standard procedure based on reaction with (3-aminopropyl)trimethoxysilane as source of the propylamino groups was performed, followed by classical dry analysis methods to determine the specific concentration of the organic functional groups (in mmol g{sup -1} of material). ATR-IR spectroscopy in a specially constructed reactor cell was applied as wet methodology to determine the chemically available amount of such functional groups, showing that the materials possess largely different loading capacity, with a variability of up to 70% in the chemical availability of the organic functional group. The amount of (3-aminopropyl)trimethoxysilane used for functionalization was optimized, thus reaching a saturation limit characteristic of the material.

Open systems dependability dependability engineering for ever-changing systems

CERN Document Server

Tokoro, Mario

2015-01-01

The book describes a fundamentally new approach to software dependability, considering a software system as an ever-changing system due to changes in service objectives, users' requirements, standards and regulations, and to advances in technology. Such a system is viewed as an Open System since its functions, structures, and boundaries are constantly changing. Thus, the approach to dependability is called Open Systems Dependability. The DEOS technology realizes Open Systems Dependability. It puts more emphasis on stakeholders' agreement and accountability achievement for business/service cont

Executive functions and risky decision-making in patients with opiate dependence.

Science.gov (United States)

Brand, Matthias; Roth-Bauer, Martina; Driessen, Martin; Markowitsch, Hans J

2008-09-01

Recent evidence suggests that individuals with opiate dependence may have cognitive dysfunctions particularly within the spectrum of executive functioning and emotional processing. Such dysfunctions can also compromise daily decisions associated with risk-taking behaviors. However, it remains unclear whether patients addicted to opiates show impaired decision-making on gambling tasks that specify explicit rules for rewards and punishments and provide information about probabilities associated with different long-term outcomes. In this study, we examined 18 individuals with opiate dependence and 18 healthy comparison subjects, matched for age, gender, and education with the Game of Dice Task (GDT). The GDT is a gambling task with explicit rules for gains and losses and fix winning probabilities. In addition, all subjects completed a neuropsychological test battery that primarily focused on executive functions and a personality questionnaire. On the GDT, patients chose the risky alternatives more frequently than the control group. Patients' GDT performance was related to executive functioning but not to other neuropsychological constructs, personality or dependence specific variables with one exception that is the number of days of abstinence. Thus, patients with opiate dependence demonstrate abnormalities in decision-making that might be neuropsychologically associated with dysfunctional behavior in patients' daily lives. Decision-making and other neuropsychological functioning should be considered in the treatment of opiate dependence.

Structure and function of small heat shock/alpha-crystallin proteins: established concepts and emerging ideas.

Science.gov (United States)

MacRae, T H

2000-06-01

Small heat shock/alpha-crystallin proteins are defined by conserved sequence of approximately 90 amino acid residues, termed the alpha-crystallin domain, which is bounded by variable amino- and carboxy-terminal extensions. These proteins form oligomers, most of uncertain quaternary structure, and oligomerization is prerequisite to their function as molecular chaperones. Sequence modelling and physical analyses show that the secondary structure of small heat shock/alpha-crystallin proteins is predominately beta-pleated sheet. Crystallography, site-directed spin-labelling and yeast two-hybrid selection demonstrate regions of secondary structure within the alpha-crystallin domain that interact during oligomer assembly, a process also dependent on the amino terminus. Oligomers are dynamic, exhibiting subunit exchange and organizational plasticity, perhaps leading to functional diversity. Exposure of hydrophobic residues by structural modification facilitates chaperoning where denaturing proteins in the molten globule state associate with oligomers. The flexible carboxy-terminal extension contributes to chaperone activity by enhancing the solubility of small heat shock/alpha-crystallin proteins. Site-directed mutagenesis has yielded proteins where the effect of the change on structure and function depends upon the residue modified, the organism under study and the analytical techniques used. Most revealing, substitution of a conserved arginine residue within the alpha-crystallin domain has a major impact on quaternary structure and chaperone action probably through realignment of beta-sheets. These mutations are linked to inherited diseases. Oligomer size is regulated by a stress-responsive cascade including MAPKAP kinase 2/3 and p38. Phosphorylation of small heat shock/alpha-crystallin proteins has important consequences within stressed cells, especially for microfilaments.

Overexpression of neurofilament H disrupts normal cell structure and function

Science.gov (United States)

Szebenyi, Gyorgyi; Smith, George M.; Li, Ping; Brady, Scott T.

2002-01-01

Studying exogenously expressed tagged proteins in live cells has become a standard technique for evaluating protein distribution and function. Typically, expression levels of experimentally introduced proteins are not regulated, and high levels are often preferred to facilitate detection. However, overexpression of many proteins leads to mislocalization and pathologies. Therefore, for normative studies, moderate levels of expression may be more suitable. To understand better the dynamics of intermediate filament formation, transport, and stability in a healthy, living cell, we inserted neurofilament heavy chain (NFH)-green fluorescent protein (GFP) fusion constructs in adenoviral vectors with tetracycline (tet)-regulated promoters. This system allows for turning on or off the synthesis of NFH-GFP at a selected time, for a defined period, in a dose-dependent manner. We used this inducible system for live cell imaging of changes in filament structure and cell shape, motility, and transport associated with increasing NFH-GFP expression. Cells with low to intermediate levels of NFH-GFP were structurally and functionally similar to neighboring, nonexpressing cells. In contrast, overexpression led to pathological alterations in both filament organization and cell function. Copyright 2002 Wiley-Liss, Inc.

Structural architecture supports functional organization in the human aging brain at a regionwise and network level.

Science.gov (United States)

Zimmermann, Joelle; Ritter, Petra; Shen, Kelly; Rothmeier, Simon; Schirner, Michael; McIntosh, Anthony R

2016-07-01

Functional interactions in the brain are constrained by the underlying anatomical architecture, and structural and functional networks share network features such as modularity. Accordingly, age-related changes of structural connectivity (SC) may be paralleled by changes in functional connectivity (FC). We provide a detailed qualitative and quantitative characterization of the SC-FC coupling in human aging as inferred from resting-state blood oxygen-level dependent functional magnetic resonance imaging and diffusion-weighted imaging in a sample of 47 adults with an age range of 18-82. We revealed that SC and FC decrease with age across most parts of the brain and there is a distinct age-dependency of regionwise SC-FC coupling and network-level SC-FC relations. A specific pattern of SC-FC coupling predicts age more reliably than does regionwise SC or FC alone (r = 0.73, 95% CI = [0.7093, 0.8522]). Hence, our data propose that regionwise SC-FC coupling can be used to characterize brain changes in aging. Hum Brain Mapp 37:2645-2661, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Transverse momentum-dependent parton distribution functions in lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Engelhardt, Michael G. [New Mexico State University; Musch, Bernhard U. [Tech. University Munich; Haegler, Philipp G. [Tech. University Munich; Negele, John W. [MIT; Schaefer, Andreas [Regensburg

2013-08-01

A fundamental structural property of the nucleon is the distribution of quark momenta, both parallel as well as perpendicular to its propagation. Experimentally, this information is accessible via selected processes such as semi-inclusive deep inelastic scattering (SIDIS) and the Drell-Yan process (DY), which can be parametrized in terms of transversemomentum-dependent parton distributions (TMDs). On the other hand, these distribution functions can be extracted from nucleon matrix elements of a certain class of bilocal quark operators in which the quarks are connected by a staple-shaped Wilson line serving to incorporate initial state (DY) or final state (SIDIS) interactions. A scheme for evaluating such matrix elements within lattice QCD is developed. This requires casting the calculation in a particular Lorentz frame, which is facilitated by a parametrization of the matrix elements in terms of invariant amplitudes. Exploratory results are presented for the time-reversal odd Sivers and Boer-Mulders transverse momentum shifts.

Spin structure function measurements with polarized protons and electrons at HERA

International Nuclear Information System (INIS)

Ball, R.D.; Deshpande, A.; Forte, S.; Hughes, V.W.; Lichtenstadt, J.; Ridolfi, G.

1995-01-01

Useful insights into the spin structure functions of the nucleon can be achieved by measurements of spin-dependent asymmetries in inclusive scattering of high energy polarized electrons by high energy polarized protons at HERA. Such an experiment would be a natural extension of the polarized lepton-nucleon scattering experiments presently carried out at CERN and SLAC. We present here estimates of possible data in the extended kinematic range of HERA and associated statistical errors. (orig.)

QCD coherence in the structure function and associated distributions at small x

International Nuclear Information System (INIS)

Marchesini, G.

1995-01-01

We recall the origin of angular ordering in soft parton emission and show that at small x this coherent structure is masked in the structure function while it can be detected in the associated distributions. This is due to the fact that collinear singularities cancel completely in the structure function at fixed transverse momentum for x →0. In this limit the dependence on the hard scale is lost, the angular ordered region becomes equivalent to the multi-Regge region in which all transverse momenta are of the same order, and one derives the BFKL equation. For the associated distributions at small x such a complete cancellation of collinear singularities does not hold in general, thus large singular contributions are neglected if angular ordering is replaced by multi-Regge phase space. The deduction of these features requires an analysis without any collinear approximations which is done by extending to small x the soft gluon factorization techniques typically used in the region of large x. Since the coherent structure of parton emission is the same in the small and large x regions, one can formulate a unified evolution equation for the structure function, a unified coherent branching and jet algorithm which allows the calculation of associated distributions in all x regions. Such a unified formulation, valid for all x, is presented and compared with usual treatments. ((orig.))

[Possible effect of E-selectine on structure and function of arterial vessels in patients with metabolic syndrome].

Science.gov (United States)

Voloshyna, O O; Lyzohub, V H; Romanenko, I M

2007-01-01

Endothelial dysfunction and endothelial cells activation as it was shown in patients with ischemic heart disease play important role in atherosclerosis progression and the development of cardiovascular events. Relationship between E-selectine and functional/ structural changes of the arterial vessels in patients with metabolic syndrome was not explored. We revealed that both activation of the endothelial cells and structural/functional changes of the arterial wall mostly depend on obesity and dislipedemia and in less extent on carbohydrates metabolism disorders.

A possible form of the pion's structure function

International Nuclear Information System (INIS)

Long Ming; Huang Tao

1986-01-01

The pion's structure function behaviour is discussed by using the Fock state expansion of the hadronic wave function in QCD in this paper. As an example, we employ a model wave function of the Fock state in the light-cone and assume a Regge behaviour of a weight function for higher Fock states, and we get a possible form of the pion's structure function. This form is consistent with experimental data of the pion's structure function

Functional nanometer-scale structures

Science.gov (United States)

Chan, Tsz On Mario

Nanometer-scale structures have properties that are fundamentally different from their bulk counterparts. Much research effort has been devoted in the past decades to explore new fabrication techniques, model the physical properties of these structures, and construct functional devices. The ability to manipulate and control the structure of matter at the nanoscale has made many new classes of materials available for the study of fundamental physical processes and potential applications. The interplay between fabrication techniques and physical understanding of the nanostructures and processes has revolutionized the physical and material sciences, providing far superior properties in materials for novel applications that benefit society. This thesis consists of two major aspects of my graduate research in nano-scale materials. In the first part (Chapters 3--6), a comprehensive study on the nanostructures based on electrospinning and thermal treatment is presented. Electrospinning is a well-established method for producing high-aspect-ratio fibrous structures, with fiber diameter ranging from 1 nm--1 microm. A polymeric solution is typically used as a precursor in electrospinning. In our study, the functionality of the nanostructure relies on both the nanostructure and material constituents. Metallic ions containing precursors were added to the polymeric precursor following a sol-gel process to prepare the solution suitable for electrospinning. A typical electrospinning process produces as-spun fibers containing both polymer and metallic salt precursors. Subsequent thermal treatments of the as-spun fibers were carried out in various conditions to produce desired structures. In most cases, polymer in the solution and the as-spun fibers acted as a backbone for the structure formation during the subsequent heat treatment, and were thermally removed in the final stage. Polymers were also designed to react with the metallic ion precursors during heat treatment in some

Structure-function relationships during segregated and integrated network states of human brain functional connectivity.

Science.gov (United States)

Fukushima, Makoto; Betzel, Richard F; He, Ye; van den Heuvel, Martijn P; Zuo, Xi-Nian; Sporns, Olaf

2018-04-01

Structural white matter connections are thought to facilitate integration of neural information across functionally segregated systems. Recent studies have demonstrated that changes in the balance between segregation and integration in brain networks can be tracked by time-resolved functional connectivity derived from resting-state functional magnetic resonance imaging (rs-fMRI) data and that fluctuations between segregated and integrated network states are related to human behavior. However, how these network states relate to structural connectivity is largely unknown. To obtain a better understanding of structural substrates for these network states, we investigated how the relationship between structural connectivity, derived from diffusion tractography, and functional connectivity, as measured by rs-fMRI, changes with fluctuations between segregated and integrated states in the human brain. We found that the similarity of edge weights between structural and functional connectivity was greater in the integrated state, especially at edges connecting the default mode and the dorsal attention networks. We also demonstrated that the similarity of network partitions, evaluated between structural and functional connectivity, increased and the density of direct structural connections within modules in functional networks was elevated during the integrated state. These results suggest that, when functional connectivity exhibited an integrated network topology, structural connectivity and functional connectivity were more closely linked to each other and direct structural connections mediated a larger proportion of neural communication within functional modules. Our findings point out the possibility of significant contributions of structural connections to integrative neural processes underlying human behavior.

On the dependence structure of Gaussian queues

NARCIS (Netherlands)

Es-Saghouani, A.; Mandjes, M.R.H.

2009-01-01

In this article we study Gaussian queues (that is, queues fed by Gaussian processes, such as fractional Brownian motion (fBm) and the integrated Ornstein-Uhlenbeck (iOU) process), with a focus on the dependence structure of the workload process. The main question is to what extent does the workload

Clustering aspects in nuclear structure functions

International Nuclear Information System (INIS)

Hirai, M.; Saito, K.; Watanabe, T.; Kumano, S.

2011-01-01

For understanding an anomalous nuclear effect experimentally observed for the beryllium-9 nucleus at the Thomas Jefferson National Accelerator Facility, clustering aspects are studied in structure functions of deep inelastic lepton-nucleus scattering by using momentum distributions calculated in antisymmetrized (or fermionic) molecular dynamics (AMD) and also in a simple shell model for comparison. According to AMD, the 9 Be nucleus consists of two α-like clusters with a surrounding neutron. The clustering produces high-momentum components in nuclear wave functions, which affects nuclear modifications of the structure functions. We investigated whether clustering features could appear in the structure function F 2 of 9 Be along with studies for other light nuclei. We found that nuclear modifications of F 2 are similar in both AMD and shell models within our simple convolution description although there are slight differences in 9 Be. It indicates that the anomalous 9 Be result should be explained by a different mechanism from the nuclear binding and Fermi motion. If nuclear-modification slopes d(F 2 A /F 2 D )/dx are shown by the maximum local densities, the 9 Be anomaly can be explained by the AMD picture, namely by the clustering structure, whereas it certainly cannot be described in the simple shell model. This fact suggests that the large nuclear modification in 9 Be should be explained by large densities in the clusters. For example, internal nucleon structure could be modified in the high-density clusters. The clustering aspect of nuclear structure functions is an unexplored topic which is interesting for future investigations.

Brain functional connectivity in stimulant drug dependence and obsessive-compulsive disorder.

Science.gov (United States)

Meunier, David; Ersche, Karen D; Craig, Kevin J; Fornito, Alex; Merlo-Pich, Emilio; Fineberg, Naomi A; Shabbir, Shaila S; Robbins, Trevor W; Bullmore, Edward T

2012-01-16

There are reasons for thinking that obsessive-compulsive disorder (OCD) and drug dependence, although conventionally distinct diagnostic categories, might share important cognitive and neurobiological substrates. We tested this hypothesis directly by comparing brain functional connectivity measures between patients with OCD, stimulant dependent individuals (SDIs; many of whom were non-dependent users of other recreational drugs) and healthy volunteers. We measured functional connectivity between each possible pair of 506 brain regional functional MRI time series representing low frequency (0.03-0.06 Hz) spontaneous brain hemodynamics in healthy volunteers (N=18), patients with OCD (N=18) and SDIs (N=18). We used permutation tests to identify i) brain regions where strength of connectivity was significantly different in both patient groups compared to healthy volunteers; and ii) brain regions and connections which had significantly different functional connectivity between patient groups. We found that functional connectivity of right inferior and superior orbitofrontal cortex (OFC) was abnormally reduced in both disorders. Whether diagnosed as OCD or SDI, patients with higher scores on measures of compulsive symptom severity showed greater reductions of right orbitofrontal connectivity. Functional connections specifically between OFC and dorsal medial pre-motor and cingulate cortex were attenuated in both patient groups. However, patients with OCD demonstrated more severe and extensive reductions of functional connectivity compared to SDIs. OCD and stimulant dependence are not identical at the level of brain functional systems but they have some important abnormalities in common compared with healthy volunteers. Orbitofrontal connectivity may serve as a human brain systems biomarker for compulsivity across diagnostic categories. Copyright © 2011 Elsevier Inc. All rights reserved.

Functional connectivity and structural covariance between regions of interest can be measured more accurately using multivariate distance correlation.

Science.gov (United States)

Geerligs, Linda; Cam-Can; Henson, Richard N

2016-07-15

Studies of brain-wide functional connectivity or structural covariance typically use measures like the Pearson correlation coefficient, applied to data that have been averaged across voxels within regions of interest (ROIs). However, averaging across voxels may result in biased connectivity estimates when there is inhomogeneity within those ROIs, e.g., sub-regions that exhibit different patterns of functional connectivity or structural covariance. Here, we propose a new measure based on "distance correlation"; a test of multivariate dependence of high dimensional vectors, which allows for both linear and non-linear dependencies. We used simulations to show how distance correlation out-performs Pearson correlation in the face of inhomogeneous ROIs. To evaluate this new measure on real data, we use resting-state fMRI scans and T1 structural scans from 2 sessions on each of 214 participants from the Cambridge Centre for Ageing & Neuroscience (Cam-CAN) project. Pearson correlation and distance correlation showed similar average connectivity patterns, for both functional connectivity and structural covariance. Nevertheless, distance correlation was shown to be 1) more reliable across sessions, 2) more similar across participants, and 3) more robust to different sets of ROIs. Moreover, we found that the similarity between functional connectivity and structural covariance estimates was higher for distance correlation compared to Pearson correlation. We also explored the relative effects of different preprocessing options and motion artefacts on functional connectivity. Because distance correlation is easy to implement and fast to compute, it is a promising alternative to Pearson correlations for investigating ROI-based brain-wide connectivity patterns, for functional as well as structural data. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Structural study of surfactant-dependent interaction with protein

Energy Technology Data Exchange (ETDEWEB)

Mehan, Sumit; Aswal, Vinod K., E-mail: vkaswal@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, Joachim [Laboratory for Neutron Scattering, Paul Scherrer Institut, CH-5232 PSI Villigen (Switzerland)

2015-06-24

Small-angle neutron scattering (SANS) has been used to study the complex structure of anionic BSA protein with three different (cationic DTAB, anionic SDS and non-ionic C12E10) surfactants. These systems form very different surfactant-dependent complexes. We show that the structure of protein-surfactant complex is initiated by the site-specific electrostatic interaction between the components, followed by the hydrophobic interaction at high surfactant concentrations. It is also found that hydrophobic interaction is preferred over the electrostatic interaction in deciding the resultant structure of protein-surfactant complexes.

Dynamical behavior connection of the gluon distribution and the proton structure function at small x

International Nuclear Information System (INIS)

Boroun, G.R.

2014-01-01

We make a critical study of the relationship between the singlet structure function F 2 S and the gluon distribution G(x,Q 2 ) proposed in the past two decades, which is frequently used to extract the gluon distribution from the proton structure function. We show that a simple relation is not generally valid in the simplest state. We complete this relation by using a Laplace transform method and hard-pomeron behavior at LO and NLO at small x. Our study shows that this relation is dependent on the splitting functions and initial conditions at Q 2 =Q 2 0 and running coupling constant at NLO. The resulting analytic expression allows us to predict the proton structure function with respect to the gluon distributions and to compare the results with H1 data and a QCD analysis fit. Comparisons with other results are made and predictions for the proposed best approach are also provided. (orig.)

Nonperturbative renormalization-group approach preserving the momentum dependence of correlation functions

Science.gov (United States)

Rose, F.; Dupuis, N.

2018-05-01

We present an approximation scheme of the nonperturbative renormalization group that preserves the momentum dependence of correlation functions. This approximation scheme can be seen as a simple improvement of the local potential approximation (LPA) where the derivative terms in the effective action are promoted to arbitrary momentum-dependent functions. As in the LPA, the only field dependence comes from the effective potential, which allows us to solve the renormalization-group equations at a relatively modest numerical cost (as compared, e.g., to the Blaizot-Mendéz-Galain-Wschebor approximation scheme). As an application we consider the two-dimensional quantum O(N ) model at zero temperature. We discuss not only the two-point correlation function but also higher-order correlation functions such as the scalar susceptibility (which allows for an investigation of the "Higgs" amplitude mode) and the conductivity. In particular, we show how, using Padé approximants to perform the analytic continuation i ωn→ω +i 0+ of imaginary frequency correlation functions χ (i ωn) computed numerically from the renormalization-group equations, one can obtain spectral functions in the real-frequency domain.

Magnetism and Structure in Functional Materials

CERN Document Server

Planes, Antoni; Saxena, Avadh

2005-01-01

Magnetism and Structure in Functional Materials addresses three distinct but related topics: (i) magnetoelastic materials such as magnetic martensites and magnetic shape memory alloys, (ii) the magnetocaloric effect related to magnetostructural transitions, and (iii) colossal magnetoresistance (CMR) and related magnanites. The goal is to identify common underlying principles in these classes of materials that are relevant for optimizing various functionalities. The emergence of apparently different magnetic/structural phenomena in disparate classes of materials clearly points to a need for common concepts in order to achieve a broader understanding of the interplay between magnetism and structure in this general class of new functional materials exhibiting ever more complex microstructure and function. The topic is interdisciplinary in nature and the contributors correspondingly include physicists, materials scientists and engineers. Likewise the book will appeal to scientists from all these areas.

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

Energy Technology Data Exchange (ETDEWEB)

Rebolini, Elisa, E-mail: elisa.rebolini@kjemi.uio.no; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr [Laboratoire de Chimie Théorique, Sorbonne Universités, UPMC Univ Paris 06, CNRS, 4 place Jussieu, F-75005 Paris (France)

2016-03-07

We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter approximation for the long-range response kernel. This approach goes beyond the adiabatic approximation usually used in linear-response TDDFT and aims at improving the accuracy of calculations of electronic excitation energies of molecular systems. A detailed derivation of the frequency-dependent second-order Bethe-Salpeter correlation kernel is given using many-body Green-function theory. Preliminary tests of this range-separated TDDFT method are presented for the calculation of excitation energies of the He and Be atoms and small molecules (H{sub 2}, N{sub 2}, CO{sub 2}, H{sub 2}CO, and C{sub 2}H{sub 4}). The results suggest that the addition of the long-range second-order Bethe-Salpeter correlation kernel overall slightly improves the excitation energies.

Annotating Protein Functional Residues by Coupling High-Throughput Fitness Profile and Homologous-Structure Analysis

Directory of Open Access Journals (Sweden)

Yushen Du

2016-11-01

Full Text Available Identification and annotation of functional residues are fundamental questions in protein sequence analysis. Sequence and structure conservation provides valuable information to tackle these questions. It is, however, limited by the incomplete sampling of sequence space in natural evolution. Moreover, proteins often have multiple functions, with overlapping sequences that present challenges to accurate annotation of the exact functions of individual residues by conservation-based methods. Using the influenza A virus PB1 protein as an example, we developed a method to systematically identify and annotate functional residues. We used saturation mutagenesis and high-throughput sequencing to measure the replication capacity of single nucleotide mutations across the entire PB1 protein. After predicting protein stability upon mutations, we identified functional PB1 residues that are essential for viral replication. To further annotate the functional residues important to the canonical or noncanonical functions of viral RNA-dependent RNA polymerase (vRdRp, we performed a homologous-structure analysis with 16 different vRdRp structures. We achieved high sensitivity in annotating the known canonical polymerase functional residues. Moreover, we identified a cluster of noncanonical functional residues located in the loop region of the PB1 β-ribbon. We further demonstrated that these residues were important for PB1 protein nuclear import through the interaction with Ran-binding protein 5. In summary, we developed a systematic and sensitive method to identify and annotate functional residues that are not restrained by sequence conservation. Importantly, this method is generally applicable to other proteins about which homologous-structure information is available.

Summary of the Photon Structure Functions - Measurements at LEP

International Nuclear Information System (INIS)

Przybycien, M.

2002-01-01

The present status of the photon structure functions measurements at LEP is discussed. The short introduction to the kinematics and theoretical framework of the structure functions measurements at LEP is given first. Then follow presentations of the most important measurements, ranging from the QED photon structure function, through the hadronic structure functions of real and virtual photons, and at the end the first measurement of the electron structure function is shown. (author)

Age-related normal structural and functional ventricular values in cardiac function assessed by magnetic resonance

International Nuclear Information System (INIS)

Fiechter, Michael; Gaemperli, Oliver; Kaufmann, Philipp A; Fuchs, Tobias A; Gebhard, Catherine; Stehli, Julia; Klaeser, Bernd; Stähli, Barbara E; Manka, Robert; Manes, Costantina; Tanner, Felix C

2013-01-01

The heart is subject to structural and functional changes with advancing age. However, the magnitude of cardiac age-dependent transformation has not been conclusively elucidated. This retrospective cardiac magnetic resonance (CMR) study included 183 subjects with normal structural and functional ventricular values. End systolic volume (ESV), end diastolic volume (EDV), and ejection fraction (EF) were obtained from the left and the right ventricle in breath-hold cine CMR. Patients were classified into four age groups (20–29, 30–49, 50–69, and ≥70 years) and cardiac measurements were compared using Pearson’s rank correlation over the four different groups. With advanced age a slight but significant decrease in ESV (r=−0.41 for both ventricles, P<0.001) and EDV (r=−0.39 for left ventricle, r=−0.35 for right ventricle, P<0.001) were observed associated with a significant increase in left (r=0.28, P<0.001) and right (r=0.27, P<0.01) ventricular EF reaching a maximal increase in EF of +8.4% (P<0.001) for the left and +6.1% (P<0.01) for the right ventricle in the oldest compared to the youngest patient group. Left ventricular myocardial mass significantly decreased over the four different age groups (P<0.05). The aging process is associated with significant changes in left and right ventricular EF, ESV and EDV in subjects with no cardiac functional and structural abnormalities. These findings underline the importance of using age adapted values as standard of reference when evaluating CMR studies

Functional and Multifunctional Polymers: Materials for Smart Structures

Science.gov (United States)

Arnold, S.; Pratt, L. M.; Li, J.; Wuagaman, M.; Khan, I. M.

1996-01-01

The ultimate goal of the research in smart structures and smart materials is the development of a new generation of products/devices which will perform better than products/devices built from passive materials. There are a few examples of multilayer polymer systems which function as smart structures, e.g. a synthetic muscle which is a multilayer assembly of a poly(ethylene) layer, a gold layer, and a poly(pyrrole) layer immersed in a liquid electrolyte. Oxidation and reductions of the active pyrrole layer causes the assembly to reversibly deflect and mimic biological muscles. The drawback of such a setup is slow response times and the use of a liquid electrolyte. We have developed multifunctional polymers which will eliminate the use of a liquid electrolyte, and also because the functionalities of the polymers are within a few hundred angstroms, an improved response time to changes in the external field should be possible. Such multifunctional polymers may be classified as the futuristic 'smart materials.' These materials are composed of a number of different functionalities which work in a synergistic fashion to function as a device. The device performs on the application of an external field and such multifunctional polymers may be scientifically labeled as 'field responsive polymers.' Our group has undertaken a systematic approach to develop functional and multifunctional polymers capable of functioning as field responsive polymers. Our approach utilizes multicomponent polymer systems (block copolymers and graft copolymers), the strategy involves the preparation of block or graft copolymers where the functionalities are limited to different phases in a microphase separated system. Depending on the weight (or volume) fractions of each of the components, different microstructures are possible. And, because of the intimate contact between the functional components, an increase in the synergism between the functionalities may be observed. In this presentation, three

Bias-corrected estimation of stable tail dependence function

DEFF Research Database (Denmark)

Beirlant, Jan; Escobar-Bach, Mikael; Goegebeur, Yuri

2016-01-01

We consider the estimation of the stable tail dependence function. We propose a bias-corrected estimator and we establish its asymptotic behaviour under suitable assumptions. The finite sample performance of the proposed estimator is evaluated by means of an extensive simulation study where...

Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism

International Nuclear Information System (INIS)

Hinnemann, Berit; Moses, Poul Georg; Noerskov, Jens K

2008-01-01

The present article will highlight some recent density functional theory (DFT) studies of hydrodesulfurization (HDS) catalysts. It will be summarized how DFT in combination with experimental studies can give a detailed picture of the structure of the active phase. Furthermore, we have used DFT to investigate the reaction pathway for thiophene HDS, and we find that the reaction entails a complex interplay of different active sites, depending on reaction conditions. An investigation of pyridine inhibition confirmed some of these results. These fundamental insights constitute a basis for rational improvement of HDS catalysts, as they have provided important structure-activity relationships

Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Kühn, Michael [Institut für Physikalische Chemie, Karlsruher Institut für Technologie, Kaiserstraße 12, 76131 Karlsruhe (Germany); Weigend, Florian, E-mail: florian.weigend@kit.edu [Institut für Physikalische Chemie, Karlsruher Institut für Technologie, Kaiserstraße 12, 76131 Karlsruhe (Germany); Institut für Nanotechnologie, Karlsruher Institut für Technologie, Postfach 3640, 76021 Karlsruhe (Germany)

2014-12-14

“Spin-forbidden” transitions are calculated for an eight-membered set of iridium-containing candidate molecules for organic light-emitting diodes (OLEDs) using two-component time-dependent density functional theory. Phosphorescence lifetimes (obtained from averaging over relevant excitations) are compared to experimental data. Assessment of parameters like non-distorted and distorted geometric structures, density functionals, relativistic Hamiltonians, and basis sets was done by a thorough study for Ir(ppy){sub 3} focussing not only on averaged phosphorescence lifetimes, but also on the agreement of the triplet substate structure with experimental data. The most favorable methods were applied to an eight-membered test set of OLED candidate molecules; Boltzmann-averaged phosphorescence lifetimes were investigated concerning the convergence with the number of excited states and the changes when including solvent effects. Finally, a simple model for sorting out molecules with long averaged phosphorescence lifetimes is developed by visual inspection of computationally easily achievable one-component frontier orbitals.

Effective constraint algebras with structure functions

International Nuclear Information System (INIS)

Bojowald, Martin; Brahma, Suddhasattwa

2016-01-01

This article presents the result that fluctuations and higher moments of a state, by themselves, do not imply quantum corrections in structure functions of constrained systems. Moment corrections are isolated from other types of quantum effects, such as factor-ordering choices and regularization, by introducing a new condition with two parts: (i) having a direct (or faithful) quantization of the classical structure functions, (ii) free of factor-ordering ambiguities. In particular, it is assumed that the classical constraints can be quantized in an anomaly free way, so that properties of the resulting constraint algebras can be derived. If the two-part condition is not satisfied, effective constraints can still be evaluated, but quantum effects may be stronger. Consequences for canonical quantum gravity, whose structure functions encode space–time structure, are discussed. In particular, deformed algebras found in models of loop quantum gravity provide reliable information even in the Planck regime. (paper)

Dynamical rescaling, the EMC effect and universality of hadron structure functions

International Nuclear Information System (INIS)

Close, F.E.

1984-04-01

Data are compared on the EMC effect, with the hypothesis that the quark confinement size increases in going from a free nucleon to a nucleus. In QCD a dynamical rescaling is predicted: Q 2 variation of the distribution function in a given target parallels the dependence on confinement size, R, at fixed Q 2 . Thus a dynamical scale invariance obtains when both R and Q 2 are varied, yielding the dynamical rescaling relation F 2 sup(A)(x, Q 2 ) = F 2 sup(N)(x, zetaQ 2 ) where zeta > 1 is predicted for any nucleus and is a function of the confinement size. Data on 12 nuclei agree with this, implying that confinement size is governed by nuclear density. The formalism is tested by relating the pion and nucleon structure functions. (author)

Brain structural connectivity and context-dependent extinction memory.

Science.gov (United States)

Hermann, Andrea; Stark, Rudolf; Blecker, Carlo R; Milad, Mohammed R; Merz, Christian J

2017-08-01

Extinction of conditioned fear represents an important mechanism in the treatment of anxiety disorders. Return of fear after successful extinction or exposure therapy in patients with anxiety disorders might be linked to poor temporal or contextual generalization of extinction due to individual differences in brain structural connectivity. The goal of this magnetic resonance imaging study was therefore to investigate the association of context-dependent extinction recall with brain structural connectivity. Diffusion-tensor imaging was used to determine the fractional anisotropy as a measure of white matter structural integrity of fiber tracts connecting central brain regions of the fear and extinction circuit (uncinate fasciculus, cingulum). Forty-five healthy men participated in a two-day fear conditioning experiment with fear acquisition in context A and extinction learning in context B on the first day. Extinction recall in the extinction context as well as renewal in the acquisition context and a novel context C took place one day later. Renewal of conditioned fear (skin conductance responses) in the acquisition context was associated with higher structural integrity of the hippocampal part of the cingulum. Enhanced structural integrity of the cingulum might be related to stronger hippocampal modulation of the dorsal anterior cingulate cortex, a region important for modulating conditioned fear output by excitatory projections to the amygdala. This finding underpins the crucial role of individual differences in the structural integrity of relevant fiber tracts for context-dependent extinction recall and return of fear after exposure therapy in anxiety disorders. © 2017 Wiley Periodicals, Inc.

Altered Brain Functional Connectivity in Betel Quid-Dependent Chewers

Directory of Open Access Journals (Sweden)

Xiaojun Huang

2017-11-01

Full Text Available BackgroundBetel quid (BQ is a common psychoactive substance worldwide with particularly high usage in many Asian countries. This study aimed to explore the effect of BQ use on functional connectivity by comparing global functional brain networks and their subset between BQ chewers and healthy controls (HCs.MethodsResting-state functional magnetic resonance imaging (fMRI was obtained from 24 betel quid-dependent (BQD male chewers and 27 healthy male individuals on a 3.0T scanner. We used independent component analysis (ICA to determine components that represent the brain’s functional networks and their spatial aspects of functional connectivity. Two sample t-tests were used to identify the functional connectivity differences in each network between these two groups.ResultsSeventeen networks were identified by ICA. Nine of them showed connectivity differences between BQD and HCs (two sample t-tests, p < 0.001 uncorrected. We found increased functional connectivity in the orbitofrontal, bilateral frontoparietal, frontotemporal, occipital/parietal, frontotemporal/cerebellum, and temporal/limbic networks, and decreased connectivity in the parietal and medial frontal/anterior cingulate networks in the BQD compared to the HCs. The betel quid dependence scale scores were positively related to the increased functional connectivity in the orbitofrontal (r = 0.39, p = 0.03 while negatively related to the decreased functional connectivity in medial frontal/anterior cingulate networks (r = −0.35, p = 0.02.DiscussionOur findings provide further evidence that BQ chewing may lead to brain functional connectivity changes, which may play a key role in the psychological and physiological effects of BQ.

The notochord: structure and functions.

Science.gov (United States)

Corallo, Diana; Trapani, Valeria; Bonaldo, Paolo

2015-08-01

The notochord is an embryonic midline structure common to all members of the phylum Chordata, providing both mechanical and signaling cues to the developing embryo. In vertebrates, the notochord arises from the dorsal organizer and it is critical for proper vertebrate development. This evolutionary conserved structure located at the developing midline defines the primitive axis of embryos and represents the structural element essential for locomotion. Besides its primary structural function, the notochord is also a source of developmental signals that patterns surrounding tissues. Among the signals secreted by the notochord, Hedgehog proteins play key roles during embryogenesis. The Hedgehog signaling pathway is a central regulator of embryonic development, controlling the patterning and proliferation of a wide variety of organs. In this review, we summarize the current knowledge on notochord structure and functions, with a particular emphasis on the key developmental events that take place in vertebrates. Moreover, we discuss some genetic studies highlighting the phenotypic consequences of impaired notochord development, which enabled to understand the molecular basis of different human congenital defects and diseases.

Introduction to structure functions

International Nuclear Information System (INIS)

Kwiecinski, J.

1996-07-01

The theory of deep inelastic scattering structure functions is reviewed with an emphasis put on the QCD expectations of their behaviour in the region of small values of Bjorken parameter x. (author). 56 refs

A density functional study of backbone structures of polydiacetylene: destabilization of butatriene structure

International Nuclear Information System (INIS)

Katagiri, Hideki; Shimoi, Yukihiro; Abe, Shuji

2004-01-01

Backbone structures of polydiacetylene are studied with first-principles electronic structure method using plane-waves within generalized gradient approximation (GGA) of density functional theory. In spin-restricted calculations a coarse k-point sampling gives a potential energy curve with two local minima corresponding to acetylene and butatriene structures. However, the potential barrier between the two structures rapidly decreases with increasing number of k-points, which results in destabilization of the butatriene structure. Spin polarization effects also destabilize the butatriene structure, inducing atom-centered spin-density-wave state. These potential energies were compared with those obtained by Hartree-Fock, density functional within local density approximation (LDA) and GGA, and hybrid density functional methods using a gaussian basis set. The comparison shows that the density functional methods within LDA and GGA favor the destabilization of the butatriene structure in contrast to the Hartree-Fock method

Validity and factor structure of the bodybuilding dependence scale.

Science.gov (United States)

Smith, D; Hale, B

2004-04-01

To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders. Seventy two male competitive bodybuilders, 63 female competitive bodybuilders, 87 male non-competitive bodybuilders, and 63 non-competitive female bodybuilders completed the bodybuilding dependence scale (BDS), the exercise dependence questionnaire (EDQ), and the muscle dysmorphia inventory (MDI). Confirmatory factor analysis of the BDS supported a three factor model of bodybuilding dependence, consisting of social dependence, training dependence, and mastery dependence (Q = 3.16, CFI = 0.98, SRMR = 0.04). Internal reliability of all three subscales was high (Cronbach's alpha = 0.92, 0.92, and 0.93 respectively). Significant (pbodybuilders scored significantly (pbodybuilders. However, there were no significant sex differences on any of the BDS subscales (p>0.05). The three factor BDS appears to be a reliable and valid measure of bodybuilding dependence. Symptoms of bodybuilding dependence are more prevalent in competitive bodybuilders than non-competitive ones, but there are no significant sex differences in bodybuilding dependence.

Mind, brain, structure and function

Energy Technology Data Exchange (ETDEWEB)

Aleksander, I

1982-01-01

The author discusses the type of problem one encounters when trying to formalise the nature of a state structure associated with the brain and the origins of this state structure. The paper first defines in broad terms the nature of the structure function problem, and then goes on to separate out those parts of a structure that lead to the variational and adaptive nature of the state structure. It is argued that the relationship between the structure that leads to adaptation and its embedding in an external environment are crucial areas for further study. 4 references.

Photon-photon collisions and photon structure functions at LEP

CERN Document Server

Patt, J

2000-01-01

The present knowledge of the structure of the photon based on measurements of photon structure functions is discussed. This review covers recent results on QED structure functions and on the hadronic structure function F/sub 2//sup gamma /. (13 refs).

Final COMPASS results on the deuteron spin-dependent structure function g(1)(d) and the Bjorken sum rule

Czech Academy of Sciences Publication Activity Database

Adolph, C.; Aghasyan, M.; Akhunzyanov, R.; Alexeev, M.; Alexeev, G. D.; Amoroso, A.; Andrieux, V.; Anfimov, N. V.; Anosov, V.; Augsten, K.; Augustyniak, W.; Austregesilo, A.; Azevedo, C.; Badelek, B.; Balestra, F.; Ball, M.; Barth, J.; Beck, R.; Bedfer, Y.; Bernhard, J.; Bicker, K.; Bielert, E. R.; Birsa, R.; Bodlák, M.; Bordalo, P.; Bradamante, F.; Braun, C.; Bressan, A.; Büchele, M.; Chang, W.-C.; Chatterjee, C.; Chiosso, M.; Choi, I.; Chung, S.U.; Cicuttin, A.; Crespo, M.; Curiel, Q.; Dalla Torre, S.; Dasgupta, S. S.; Dasgupta, S.; Denisov, O.; Dhara, L.; Donskov, S. V.; Doshita, N.; Dreisbach, Ch.; Duic, V.; Dünnweber, W.; Dziewiecki, M.; Efremov, A.; Eversheim, P.D.; Eyrich, W.; Faessler, M.; Ferrero, A.; Finger, M.; Finger jr., M.; Fischer, H.; Franco, C.; Fresne von Hohenesche, N.; Friedrich, J. M.; Frolov, V.; Fuchey, E.; Gautheron, F.; Gavrichtchouk, O. P.; Gerassimov, S.; Giarra, J.; Giordano, A.; Gnesi, I.; Gorzellik, M.; Grabmüller, S.; Grasso, A.; Grosse-Perdekapm, M.; Grube, B.; Grussenmeyer, T.; Guskov, A.; Haas, F.; Hahne, D.; Hamar, G.; von Harrach, D.; Heinsius, F. H.; Heitz, R.; Herrmann, F.; Horikawa, N.; d'Hose, N.; Hsieh, C.-Yu.; Huber, S.; Ishimoto, S.; Ivanov, A.; Ivanshin, Yu.; Iwata, T.; Jarý, V.; Joosten, R.; Jörg, P.; Kabuss, E.; Kerbizi, A.; Ketzer, B.; Khaustov, G. V.; Khokhlov, Yu. A.; Kisselev, Y.; Klein, F.; Klimaszewski, K.; Koivuniemi, J. H.; Kolosov, V. N.; Kondo, K.; Königsmann, K.; Konorov, I.; Konstantinov, V. F.; Kotzinian, A. M.; Kouznetsov, O.; Krämer, M.; Kremser, P.; Krinner, F.; Kroumchtein, Z. V.; Kulinich, Y.; Kunne, F.; Kurek, K.; Kurjata, R. P.; Lednev, A. A.; Lehmann, A.; Levillain, M.; Levorato, S.; Lian, Y.-S.; Lichtenstadt, J.; Longo, R.; Maggiora, A.; Magnon, A.; Makins, N.; Makke, N.; Mallot, G. K.; Marianski, B.; Martin, A.; Marzec, J.; Matoušek, J.; Matsuda, H.; Matsuda, T.; Meshcheryakov, G.; Meyer, M.; Meyer, W.; Mikhailov, Yu. V.; Mikhasenko, M.; Mitrofanov, E.; Mitrofanov, N.; Miyachi, Y.; Nagaytsev, A.; Nerling, F.; Neyret, D.; Nový, J.; Nowak, W. D.; Nukazuka, G.; Nunes, A.S.; Olshevsky, A. G.; Orlov, I.; Ostrick, M.; Panzieri, D.; Parsamyan, B.; Paul, S.; Peng, J.-C.; Pereira, F.; Pešek, M.; Peshekhonov, D. V.; Pierre, N.; Platchkov, S.; Pochodzalla, J.; Polyakov, V. A.; Pretz, J.; Quaresma, M.; Quintans, C.; Ramos, S.; Regali, C.; Reicherz, G.; Riedl, C.; Roskot, M.; Rossiyskaya, N. S.; Ryabchikov, D.; Rybnikov, A.; Rychter, A.; Salač, R.; Samoylenko, V. D.; Sandacz, A.; Santos, C.; Sarkar, S.; Savin, I. A.; Sawada, T.; Sbrizzai, G.; Schiavon, P.; Schmidt, K.; Schmieden, H.; Schönning, K.; Seder, E.; Selyunin, A.; Silva, L.; Sinha, L.; Sirtl, S.; Slunecka, M.; Smolík, J.; Srnka, Aleš; Steffen, D.; Stolarski, M.; Subrt, O.; Šulc, M.; Suzuki, H.; Szabelski, A.; Szameitat, T.; Sznajder, P.; Takekawa, S.; Tasevsky, M.; Tessaro, S.; Tessarotto, F.; Thibaud, F.; Thiel, A.; Tosello, F.; Tskhay, V.; Uhl, S.; Vauth, A.; Veloso, J.; Virius, M.; Vondra, J.; Wallner, S.; Weisrock, T.; Wilfert, M.; Windmolders, R.; Ter Wolbeek, J.; Zaremba, K.; Závada, P.; Zavertyaev, M.; Zemlyanichkina, E.; Zhuravlev, N.; Ziembicki, M.; Zink, A.

2017-01-01

Roč. 769, JUNE (2017), s. 34-41 ISSN 0370-2693 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : COMPASS * deep inelastic scattering * spin * structure function * parton helicity distributions Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Nuclear physics Impact factor: 4.807, year: 2016

Gauge-fixing parameter dependence of two-point gauge-variant correlation functions

International Nuclear Information System (INIS)

Zhai, C.

1996-01-01

The gauge-fixing parameter ξ dependence of two-point gauge-variant correlation functions is studied for QED and QCD. We show that, in three Euclidean dimensions, or for four-dimensional thermal gauge theories, the usual procedure of getting a general covariant gauge-fixing term by averaging over a class of covariant gauge-fixing conditions leads to a nontrivial gauge-fixing parameter dependence in gauge-variant two-point correlation functions (e.g., fermion propagators). This nontrivial gauge-fixing parameter dependence modifies the large-distance behavior of the two-point correlation functions by introducing additional exponentially decaying factors. These factors are the origin of the gauge dependence encountered in some perturbative evaluations of the damping rates and the static chromoelectric screening length in a general covariant gauge. To avoid this modification of the long-distance behavior introduced by performing the average over a class of covariant gauge-fixing conditions, one can either choose a vanishing gauge-fixing parameter or apply an unphysical infrared cutoff. copyright 1996 The American Physical Society

Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material

Directory of Open Access Journals (Sweden)

Ram S. Bhatta

2015-01-01

Full Text Available Small conjugated molecules (SCMs are promising candidates for organic photovoltaic (OPV devices because of their structural simplicity, well control over synthetic reproducibility, and low purification cost. However, industrial development of SCM-based OPV devices requires improving their performance, which in turn relies on the fundamental understanding of structural dependence of electronic properties of SCMs. Herein, we report the structural and electronic properties of the BCNDTS molecule as a model system for acceptor-acceptor-donor-acceptor-acceptor (A-A-D-A-A type SCMs, using density functional theory (DFT and time-dependent DFT methods. Systematic calculations of two-dimensional potential energy surfaces, molecular electrostatic potential surfaces, ground state frontier molecular orbital energies, and the vertical excitation energies are performed. We found that the lowest energy conformation of the BCNDTS molecule is planar. The planar conformation favors the lowest ground state and the excited state energies as well as the strongest oscillator strength. The present results suggest that SCMs containing central dithienosilole cores connected with 2,1,3-benzothiadiazole groups have potential to be an efficient electron donor for OPV devices.

Signatures of non-universal large scales in conditional structure functions from various turbulent flows

International Nuclear Information System (INIS)

Blum, Daniel B; Voth, Greg A; Bewley, Gregory P; Bodenschatz, Eberhard; Gibert, Mathieu; Xu Haitao; Gylfason, Ármann; Mydlarski, Laurent; Yeung, P K

2011-01-01

We present a systematic comparison of conditional structure functions in nine turbulent flows. The flows studied include forced isotropic turbulence simulated on a periodic domain, passive grid wind tunnel turbulence in air and in pressurized SF 6 , active grid wind tunnel turbulence (in both synchronous and random driving modes), the flow between counter-rotating discs, oscillating grid turbulence and the flow in the Lagrangian exploration module (in both constant and random driving modes). We compare longitudinal Eulerian second-order structure functions conditioned on the instantaneous large-scale velocity in each flow to assess the ways in which the large scales affect the small scales in a variety of turbulent flows. Structure functions are shown to have larger values when the large-scale velocity significantly deviates from the mean in most flows, suggesting that dependence on the large scales is typical in many turbulent flows. The effects of the large-scale velocity on the structure functions can be quite strong, with the structure function varying by up to a factor of 2 when the large-scale velocity deviates from the mean by ±2 standard deviations. In several flows, the effects of the large-scale velocity are similar at all the length scales we measured, indicating that the large-scale effects are scale independent. In a few flows, the effects of the large-scale velocity are larger on the smallest length scales. (paper)

Structure functions are not parton probabilities

International Nuclear Information System (INIS)

Brodsky, Stanley J.; Hoyer, Paul; Sannino, Francesco; Marchal, Nils; Peigne, Stephane

2002-01-01

The common view that structure functions measured in deep inelastic lepton scattering are determined by the probability of finding quarks and gluons in the target is not correct in gauge theory. We show that gluon exchange between the fast, outgoing partons and target spectators, which is usually assumed to be an irrelevant gauge artifact, affects the leading twist structure functions in a profound way. This observation removes the apparent contradiction between the projectile (eikonal) and target (parton model) views of diffractive and small x B phenomena. The diffractive scattering of the fast outgoing quarks on spectators in the target causes shadowing in the DIS cross section. Thus the depletion of the nuclear structure functions is not intrinsic to the wave function of the nucleus, but is a coherent effect arising from the destructive interference of diffractive channels induced by final state interactions. This is consistent with the Glauber-Gribov interpretation of shadowing as a rescattering effect

QCD predictions for weak neutral current structure functions

International Nuclear Information System (INIS)

Wu Jimin

1987-01-01

Employing the analytic expression (to the next leading order) for non-singlet component of structure function which the author got from QCD theory and putting recent experiment result of neutral current structure function at Q 2 = 11 (GeV/C) 2 as input, the QCD prediction for neutral current structure function of their scaling violation behaviours was given

QCD dipole predictions for DIS and diffractive structure functions

International Nuclear Information System (INIS)

Royon, C.

1997-01-01

The proton structure function F 2 , the gluon density F G , and the longitudinal structure function F L are derived in the QCD dipole picture of BFKL dynamics. We use a three parameter fit to describe the 1994 H1 proton structure function F 2 data in the low x, moderate Q 2 range. Without any additional parameter, the gluon density and the longitudinal structure functions are predicted. The diffractive dissociation processes are also discussed within the same framework, and a new prediction for the proton diffractive structure function is obtained

Multicomponent density-functional theory for time-dependent systems

NARCIS (Netherlands)

Butriy, O.; Ebadi, H.; de Boeij, P. L.; van Leeuwen, R.; Gross, E. K. U.

2007-01-01

We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried

Optical Absorption in Molecular Crystals from Time-Dependent Density Functional Theory

Science.gov (United States)

2017-04-23

Our approach represents a full solid-state calculation, allowing for polarization ef- fects while still capable of capturing inter-molecular dis...AFRL-AFOSR-UK-TR-2017-0030 Optical absorption in molecular crystals from time-dependent density functional theory Leeor Kronik WEIZMANN INSTITUTE OF...from time-dependent density functional theory 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-15-1-0290 5c.  PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S

Vacuum correlation functions of superfields, properties of matrices of periods, and holomorphic structure of multiloop amplitudes in superstring theory

International Nuclear Information System (INIS)

Danilov, G.S.

1994-01-01

It is shown that matrices of periods characterizing complex (1|1) supermanifolds of genus n > 1 depend on a spinor structure. This dependence manifests itself in terms proportional to odd moduli. Properties of matrices of periods exert a strong influence on the holomorphic structure of multiloop amplitudes in superstring theory. The supersymmetric analog of the Belavin-Knizhnik theorem is obtained by taking into account the above dependence on odd moduli. Superconformal versions of the Schottky group are used to study matrices of periods. This is essentially the only parametrization in which matrices of periods can be expressed explicitly in terms of even and odd moduli. Superconformal Schottky groups suitable for describing all spinor structures, including the structures for which superfields have branch points, are constructed. A method for calculating vacuum correlation functions of superfields for the above spinor structures is proposed. 18 refs

Structural connectivity in schizophrenia and its impact on the dynamics of spontaneous functional networks

International Nuclear Information System (INIS)

Cabral, Joana; Fernandes, Henrique M.; Van Hartevelt, Tim J.; Kringelbach, Morten L.; James, Anthony C.; Deco, Gustavo

2013-01-01

The neuropathology of schizophrenia remains unclear. Some insight has come from modern neuroimaging techniques, which offer an unparalleled opportunity to explore in vivo the structure and function of the brain. Using functional magnetic resonance imaging, it has been found that the large-scale resting-state functional connectivity (rsFC) in schizophrenia — measured as the temporal correlations of the blood-oxygen-level-dependent (BOLD) signal — exhibit altered network topology, with lower small-world index. The origin of these rsFC alterations and link with the underlying structural connectivity remain unclear. In this work, we used a computational model of spontaneous large-scale brain activity to explore the role of the structural connectivity in the large-scale dynamics of the brain in health and schizophrenia. The structural connectomes from 15 adolescent patients with early-onset schizophrenia and 15 age- and gender-matched controls were built from diffusion tensor imaging data to detect the white matter tracts between 90 brain areas. Brain areas, simulated using a reduced dynamic mean-field model, receive excitatory input from other areas in proportion to the number of fibre tracts between them. The simulated mean field activity was transformed into BOLD signal, and the properties of the simulated functional networks were analyzed. Our results suggest that the functional alterations observed in schizophrenia are not directly linked to alterations in the structural topology. Instead, subtly randomized and less small-world functional networks appear when the brain operates with lower global coupling, which shifts the dynamics from the optimal healthy regime

Structural connectivity in schizophrenia and its impact on the dynamics of spontaneous functional networks

Energy Technology Data Exchange (ETDEWEB)

Cabral, Joana [Theoretical and Computational Neuroscience Group, Center of Brain and Cognition, Universitat Pompeu Fabra, Barcelona 08018 (Spain); Department of Psychiatry, University of Oxford, Oxford OX3 7JX (United Kingdom); Fernandes, Henrique M.; Van Hartevelt, Tim J.; Kringelbach, Morten L. [Department of Psychiatry, University of Oxford, Oxford OX3 7JX (United Kingdom); Center of Functionally Integrative Neuroscience (CFIN), Aarhus University, Aarhus (Denmark); James, Anthony C. [Department of Psychiatry, University of Oxford, Oxford OX3 7JX (United Kingdom); Highfield Unit, Warneford Hospital, Oxford OX3 7JX (United Kingdom); Deco, Gustavo [Theoretical and Computational Neuroscience Group, Center of Brain and Cognition, Universitat Pompeu Fabra, Barcelona 08018 (Spain); Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona 08010 (Spain)

2013-12-15

The neuropathology of schizophrenia remains unclear. Some insight has come from modern neuroimaging techniques, which offer an unparalleled opportunity to explore in vivo the structure and function of the brain. Using functional magnetic resonance imaging, it has been found that the large-scale resting-state functional connectivity (rsFC) in schizophrenia — measured as the temporal correlations of the blood-oxygen-level-dependent (BOLD) signal — exhibit altered network topology, with lower small-world index. The origin of these rsFC alterations and link with the underlying structural connectivity remain unclear. In this work, we used a computational model of spontaneous large-scale brain activity to explore the role of the structural connectivity in the large-scale dynamics of the brain in health and schizophrenia. The structural connectomes from 15 adolescent patients with early-onset schizophrenia and 15 age- and gender-matched controls were built from diffusion tensor imaging data to detect the white matter tracts between 90 brain areas. Brain areas, simulated using a reduced dynamic mean-field model, receive excitatory input from other areas in proportion to the number of fibre tracts between them. The simulated mean field activity was transformed into BOLD signal, and the properties of the simulated functional networks were analyzed. Our results suggest that the functional alterations observed in schizophrenia are not directly linked to alterations in the structural topology. Instead, subtly randomized and less small-world functional networks appear when the brain operates with lower global coupling, which shifts the dynamics from the optimal healthy regime.

[Age-related characteristics of structural support for ovarian function].

Science.gov (United States)

Koval'skiĭ, G B

1984-12-01

Histoenzymological assay was used to investigate various structures of the ovaries of rats of two groups aged 3-4 and 12-14 months during estral cycle. The activity of 3 beta-, 17 beta- and 20 alpha-steroid dehydrogenases, glucose-6-phosphate dehydrogenase, NAD and NADP-diaphorases, esterase, acid and alkaline phosphatases was studied. It has been shown that transport alterations in the microcirculation including the hematofollicular barrier play, the leading part in age-dependent depression of reproductive and endocrine functions. Ageing rats demonstrated no linkage between endothelial, thecal and granular cells, which points to the injury of the histophysiological mechanisms of the follicular system integration.

Renormalization, Wilson lines, and transverse-momentum-dependent parton-distribution functions

International Nuclear Information System (INIS)

Cherednikov, I. O.; Stefanis, N. G.

2008-01-01

We perform an analysis of transverse-momentum dependent parton-distribution functions, making use of their renormalization properties in terms of their leading-order anomalous dimensions. We show that the appropriate Wilson line in the light cone gauge, associated with such quantities, is a cusped one at light cone infinity. To cancel the ensuing cusp anomalous dimension, we include in the definition of the transverse-momentum dependent parton-distribution functions an additional soft counter term (gauge link) along that cusped transverse contour. We demonstrate that this is tantamount to an 'intrinsic (Coulomb) phase', which accumulates the full gauge history of the color-charged particle.

Root structural and functional dynamics in terrestrial biosphere models--evaluation and recommendations.

Science.gov (United States)

Warren, Jeffrey M; Hanson, Paul J; Iversen, Colleen M; Kumar, Jitendra; Walker, Anthony P; Wullschleger, Stan D

2015-01-01

There is wide breadth of root function within ecosystems that should be considered when modeling the terrestrial biosphere. Root structure and function are closely associated with control of plant water and nutrient uptake from the soil, plant carbon (C) assimilation, partitioning and release to the soils, and control of biogeochemical cycles through interactions within the rhizosphere. Root function is extremely dynamic and dependent on internal plant signals, root traits and morphology, and the physical, chemical and biotic soil environment. While plant roots have significant structural and functional plasticity to changing environmental conditions, their dynamics are noticeably absent from the land component of process-based Earth system models used to simulate global biogeochemical cycling. Their dynamic representation in large-scale models should improve model veracity. Here, we describe current root inclusion in models across scales, ranging from mechanistic processes of single roots to parameterized root processes operating at the landscape scale. With this foundation we discuss how existing and future root functional knowledge, new data compilation efforts, and novel modeling platforms can be leveraged to enhance root functionality in large-scale terrestrial biosphere models by improving parameterization within models, and introducing new components such as dynamic root distribution and root functional traits linked to resource extraction. No claim to original US Government works. New Phytologist © 2014 New Phytologist Trust.

An approach to the structure function for nucleon

International Nuclear Information System (INIS)

Long Ming

1986-01-01

The structure function for nucleon is discussed by using the method given in a previous paper. The formula are compared with the experimental data from low Q 2 to high Q 2 . The results show that the way that the structure function for nucleon can be obtained from the hadronic wavefunction is a possible approach of investigating structure functions for hadron

Angular momentum and incident-energy dependence of nucleus-nucleus interaction

International Nuclear Information System (INIS)

Yamaguchi, S.

1991-01-01

The purpose of this paper is to understand intuitively the origin of the angular momentum and incident-energy dependence of the nucleus-nucleus interaction on the basis of the totally- antisymmetrized many-body theory. With the aim of understanding the structure of the nucleus-nucleus interaction, we show first that the nucleus-nucleus interaction can be written by the use of the density-distribution function and the phase-space distribution function instead of using the many-body wave function itself. And we show that the structure change of the density-distribution function with the increase of the angular momentum causes the angular momentum dependence of the nucleus-nucleus interaction and that the incident-energy dependence of the nucleus-nucleus interaction originates from the structure change of the phase-space distribution function

Four RNA families with functional transient structures.

Science.gov (United States)

Zhu, Jing Yun A; Meyer, Irmtraud M

2015-01-01

Protein-coding and non-coding RNA transcripts perform a wide variety of cellular functions in diverse organisms. Several of their functional roles are expressed and modulated via RNA structure. A given transcript, however, can have more than a single functional RNA structure throughout its life, a fact which has been previously overlooked. Transient RNA structures, for example, are only present during specific time intervals and cellular conditions. We here introduce four RNA families with transient RNA structures that play distinct and diverse functional roles. Moreover, we show that these transient RNA structures are structurally well-defined and evolutionarily conserved. Since Rfam annotates one structure for each family, there is either no annotation for these transient structures or no such family. Thus, our alignments either significantly update and extend the existing Rfam families or introduce a new RNA family to Rfam. For each of the four RNA families, we compile a multiple-sequence alignment based on experimentally verified transient and dominant (dominant in terms of either the thermodynamic stability and/or attention received so far) RNA secondary structures using a combination of automated search via covariance model and manual curation. The first alignment is the Trp operon leader which regulates the operon transcription in response to tryptophan abundance through alternative structures. The second alignment is the HDV ribozyme which we extend to the 5' flanking sequence. This flanking sequence is involved in the regulation of the transcript's self-cleavage activity. The third alignment is the 5' UTR of the maturation protein from Levivirus which contains a transient structure that temporarily postpones the formation of the final inhibitory structure to allow translation of maturation protein. The fourth and last alignment is the SAM riboswitch which regulates the downstream gene expression by assuming alternative structures upon binding of SAM. All

Proposal to measure spin-structure functions and semi-exclusive asymmetries for the proton and neutron at HERA

International Nuclear Information System (INIS)

Jackson, H.E.; Hansen, J.O.; Jones, C.E.

1995-01-01

Nucleon spin physics will be studied in the HERMES experiment, that will use polarized internal targets of essentially pure atomic H, D, and 3 He in the HERA electron storage ring at DESY. A series of measurements of spin-dependent properties of the nucleon and few-body nuclei will be made; the spin structure function g 1 (x) of the proton and neutron will be measured to test the Bjorken sum rule and study the fraction of the nucleon spin carried by quarks; the spin structure function g 2 W, sensitive to quark-gluon correlations, and the structure functions b 1 (x), and Δ(x), sensitive to nuclear binding effects, will be measured; and, using the particle identification capability of the HERMES detector, pions will be detected in coincidence with the scattered electrons. The coincident hadron measurements represent the most important extension that can be made at this time to the existing measurements on the nucleon spin structure functions because they provide information about the flavor-dependence of the quark spin distribution in the nucleon. Argonne is providing the Cerenkov counter to be used for particle identification and developing the drifilm coating technique for the ultrathin target cell required for this experiment. The HERMES collaboration intends to use polarized targets with the highest available figures of merit, and the Argonne laser-driven source offers the most promise for a significant advance in present-day targets

Using the structure-function linkage database to characterize functional domains in enzymes.

Science.gov (United States)

Brown, Shoshana; Babbitt, Patricia

2014-12-12

The Structure-Function Linkage Database (SFLD; http://sfld.rbvi.ucsf.edu/) is a Web-accessible database designed to link enzyme sequence, structure, and functional information. This unit describes the protocols by which a user may query the database to predict the function of uncharacterized enzymes and to correct misannotated functional assignments. The information in this unit is especially useful in helping a user discriminate functional capabilities of a sequence that is only distantly related to characterized sequences in publicly available databases. Copyright © 2014 John Wiley & Sons, Inc.

Functional Coverage of the Human Genome by Existing Structures, Structural Genomics Targets, and Homology Models.

Directory of Open Access Journals (Sweden)

2005-08-01

Full Text Available The bias in protein structure and function space resulting from experimental limitations and targeting of particular functional classes of proteins by structural biologists has long been recognized, but never continuously quantified. Using the Enzyme Commission and the Gene Ontology classifications as a reference frame, and integrating structure data from the Protein Data Bank (PDB, target sequences from the structural genomics projects, structure homology derived from the SUPERFAMILY database, and genome annotations from Ensembl and NCBI, we provide a quantified view, both at the domain and whole-protein levels, of the current and projected coverage of protein structure and function space relative to the human genome. Protein structures currently provide at least one domain that covers 37% of the functional classes identified in the genome; whole structure coverage exists for 25% of the genome. If all the structural genomics targets were solved (twice the current number of structures in the PDB, it is estimated that structures of one domain would cover 69% of the functional classes identified and complete structure coverage would be 44%. Homology models from existing experimental structures extend the 37% coverage to 56% of the genome as single domains and 25% to 31% for complete structures. Coverage from homology models is not evenly distributed by protein family, reflecting differing degrees of sequence and structure divergence within families. While these data provide coverage, conversely, they also systematically highlight functional classes of proteins for which structures should be determined. Current key functional families without structure representation are highlighted here; updated information on the "most wanted list" that should be solved is available on a weekly basis from http://function.rcsb.org:8080/pdb/function_distribution/index.html.

Final COMPASS results on the spin-dependent structure functions $g_1^p$ and $g_1^d$ in the deep-inelastic and nonperturbative regions

CERN Document Server

Badelek, Barbara

2018-01-01

This paper summarizes the COMPASS Collaboration legacy on measurements of the proton and deuteron spin-dependent structure functions, $g_1^p$ and $g_1^d$ at $Q^2 1$ (GeV/c)$^2$. In both regions and at the lowest measured $x, g^d_1 (x)$ is consistent with zero while $g^p_1 (x)$ is positive. This is the first time that the spin effects are observed at such low values of $x$. The NLO QCD fit of $g_1$ world data gives well constrained quark helicity distributions; gluons are poorly determined. Quark helicity contribution to nucleon spin is $0.26 < \\Delta \\Sigma < 0.36$. From the COMPASS data alone the Bjorken sum rule is verified to $9\\%$ accuracy and the extracted flavour-singlet axial charge is $a_0 (Q^2 = 3 (\\text{GeV/}c)^2) = 0.32 \\pm 0.02_{stat.} \\pm 0.04_{syst.} \\pm 0.05_{evol.}$.

Final COMPASS results on the spin-dependent structure functions $g_1^p$ and $g_1^d$ in the deep-inelastic and nonperturbative regions

CERN Document Server

Badelek, Barbara

2017-01-01

This paper summarizes the COMPASS Collaboration legacy on measurements of the proton and deuteron spin-dependent structure functions, $g_1^p$ and $g_1^d$ at $Q^2 1$ (GeV/c)$^2$. In both regions and at the lowest measured $x, g^d_1 (x)$ is consistent with zero while $g^p_1 (x)$ is positive. This is the first time that the spin effects are observed at such low values of $x$. The NLO QCD fit of $g_1$ world data gives well constrained quark helicity distributions; gluons are poorly determined. Quark helicity contribution to nucleon spin is $0.26 < \\Delta \\Sigma < 0.36$. From the COMPASS data alone the Bjorken sum rule is verified to $9\\%$ accuracy and the extracted flavour-singlet axial charge is $a_0 (Q^2 = 3 (\\text{GeV/}c)^2) = 0.32 \\pm 0.02_{stat.} \\pm 0.04_{syst.} \\pm 0.05_{evol.}$.

Time-dependent density-functional theory concepts and applications

CERN Document Server

Ullrich, Carsten A

2011-01-01

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a s

The Pronominal System of the Soqotri Dialects: A structural and functional Study

Directory of Open Access Journals (Sweden)

Khaled Awadh Bin Mukhashin

2016-12-01

Full Text Available This study aims at describing structurally and functionally the pronominal system of the three main dialects of Soqotri, an endangered Modern south Arabian language spoken in the Island of Soqotra, Yemen. A part of the data presented in the study has been taken from my PhD thesis written in 2009. New data were collected from the field in 2012 and added to the study. The Study follows a descriptive method, therefore, showing no argumentation. The study reveals the structure and functions of the Soqotri rich pronominal system. It shows that the three Soqotri dialects (Eastern Soqotri Dialect, Central Soqotri Dialect and Western Soqotri Dialect have personal pronouns, possessive pronouns, demonstrative pronoun, reflexive pronouns, reciprocal pronouns, relative pronouns and interrogative pronouns. It also shows that these pronouns are usually of two types (independent and dependent inflecting for person, number and gender.

CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function

Directory of Open Access Journals (Sweden)

Peter Canning

2018-01-01

Full Text Available Various kinases, including a cyclin-dependent kinase (CDK family member, regulate the growth and functions of primary cilia, which perform essential roles in signaling and development. Neurological disorders linked to CDK-Like (CDKL proteins suggest that these underexplored kinases may have similar functions. Here, we present the crystal structures of human CDKL1, CDKL2, CDKL3, and CDKL5, revealing their evolutionary divergence from CDK and mitogen-activated protein kinases (MAPKs, including an unusual αJ helix important for CDKL2 and CDKL3 activity. C. elegans CDKL-1, most closely related to CDKL1–4 and localized to neuronal cilia transition zones, modulates cilium length; this depends on its kinase activity and αJ helix-containing C terminus. Human CDKL5, linked to Rett syndrome, also localizes to cilia, and it impairs ciliogenesis when overexpressed. CDKL5 patient mutations modeled in CDKL-1 cause localization and/or cilium length defects. Together, our studies establish a disease model system suggesting cilium length defects as a pathomechanism for neurological disorders, including epilepsy.

Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme.

Directory of Open Access Journals (Sweden)

Woo-Suk Jung

Full Text Available Pathogenic bacteria synthesize and secrete toxic low molecular weight compounds as virulence factors. These microbial toxins play essential roles in the pathogenicity of bacteria in various hosts, and are emerging as targets for antivirulence strategies. Toxoflavin, a phytotoxin produced by Burkholderia glumae BGR1, has been known to be the key factor in rice grain rot and wilt in many field crops. Recently, toxoflavin-degrading enzyme (TxDE was identified from Paenibacillus polymyxa JH2, thereby providing a possible antivirulence strategy for toxoflavin-mediated plant diseases. Here, we report the crystal structure of TxDE in the substrate-free form and in complex with toxoflavin, along with the results of a functional analysis. The overall structure of TxDE is similar to those of the vicinal oxygen chelate superfamily of metalloenzymes, despite the lack of apparent sequence identity. The active site is located at the end of the hydrophobic channel, 9 Å in length, and contains a Mn(II ion interacting with one histidine residue, two glutamate residues, and three water molecules in an octahedral coordination. In the complex, toxoflavin binds in the hydrophobic active site, specifically the Mn(II-coordination shell by replacing a ligating water molecule. A functional analysis indicated that TxDE catalyzes the degradation of toxoflavin in a manner dependent on oxygen, Mn(II, and the reducing agent dithiothreitol. These results provide the structural features of TxDE and the early events in catalysis.

StralSV: assessment of sequence variability within similar 3D structures and application to polio RNA-dependent RNA polymerase

Energy Technology Data Exchange (ETDEWEB)

Zemla, A; Lang, D; Kostova, T; Andino, R; Zhou, C

2010-11-29

Most of the currently used methods for protein function prediction rely on sequence-based comparisons between a query protein and those for which a functional annotation is provided. A serious limitation of sequence similarity-based approaches for identifying residue conservation among proteins is the low confidence in assigning residue-residue correspondences among proteins when the level of sequence identity between the compared proteins is poor. Multiple sequence alignment methods are more satisfactory - still, they cannot provide reliable results at low levels of sequence identity. Our goal in the current work was to develop an algorithm that could overcome these difficulties and facilitate the identification of structurally (and possibly functionally) relevant residue-residue correspondences between compared protein structures. Here we present StralSV, a new algorithm for detecting closely related structure fragments and quantifying residue frequency from tight local structure alignments. We apply StralSV in a study of the RNA-dependent RNA polymerase of poliovirus and demonstrate that the algorithm can be used to determine regions of the protein that are relatively unique or that shared structural similarity with structures that are distantly related. By quantifying residue frequencies among many residue-residue pairs extracted from local alignments, one can infer potential structural or functional importance of specific residues that are determined to be highly conserved or that deviate from a consensus. We further demonstrate that considerable detailed structural and phylogenetic information can be derived from StralSV analyses. StralSV is a new structure-based algorithm for identifying and aligning structure fragments that have similarity to a reference protein. StralSV analysis can be used to quantify residue-residue correspondences and identify residues that may be of particular structural or functional importance, as well as unusual or unexpected

Perspective: Fundamental aspects of time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Maitra, Neepa T. [Department of Physics and Astronomy, Hunter College and the Physics Program at the Graduate Center of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States)

2016-06-14

In the thirty-two years since the birth of the foundational theorems, time-dependent density functional theory has had a tremendous impact on calculations of electronic spectra and dynamics in chemistry, biology, solid-state physics, and materials science. Alongside the wide-ranging applications, there has been much progress in understanding fundamental aspects of the functionals and the theory itself. This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.

Balance functions: Multiplicity and transverse momentum dependence of the charge dependent correlations in ALICE

CERN Document Server

AUTHOR|(CDS)2078856; Snellings, Raimond; Christakoglou, Panos

The measurement of charge-dependent correlations between positively and negatively charged particles as a function of pseudorapidity and azimuthal angle, known as the balance functions, provide insight to the properties of matter created in high-energy collisions. The balance functions are argued to probe the creation time of the particles and are also sensitive to the collective motion of the system. In this thesis, I present the results of the measured balance functions in p--Pb collisions at √sNN = 5.02~TeV obtained with the ALICE detector at the LHC. The results are compared with balance functions measured in pp and Pb--Pb collisions at √s=7~TeV and √sNN = 2.76~TeV$, respectively. The width of the balance functions in both pseudorapidity and azimuthal angle for non-identified charged particles decreases with increasing multiplicity in all three systems, for particles with low transverse momentum value pT < 2~GeV/c. For higher values of transverse momentum the balance functions become narrower and...

Cytochromes P450 for natural product biosynthesis in Streptomyces: sequence, structure, and function.

Science.gov (United States)

Rudolf, Jeffrey D; Chang, Chin-Yuan; Ma, Ming; Shen, Ben

2017-08-30

Covering: up to January 2017Cytochrome P450 enzymes (P450s) are some of the most exquisite and versatile biocatalysts found in nature. In addition to their well-known roles in steroid biosynthesis and drug metabolism in humans, P450s are key players in natural product biosynthetic pathways. Natural products, the most chemically and structurally diverse small molecules known, require an extensive collection of P450s to accept and functionalize their unique scaffolds. In this review, we survey the current catalytic landscape of P450s within the Streptomyces genus, one of the most prolific producers of natural products, and comprehensively summarize the functionally characterized P450s from Streptomyces. A sequence similarity network of >8500 P450s revealed insights into the sequence-function relationships of these oxygen-dependent metalloenzymes. Although only ∼2.4% and structurally characterized, respectively, the study of streptomycete P450s involved in the biosynthesis of natural products has revealed their diverse roles in nature, expanded their catalytic repertoire, created structural and mechanistic paradigms, and exposed their potential for biomedical and biotechnological applications. Continued study of these remarkable enzymes will undoubtedly expose their true complement of chemical and biological capabilities.

Vascular risk factor burden, atherosclerosis, and functional dependence in old age: a population-based study.

Science.gov (United States)

Welmer, Anna-Karin; Liang, Yajun; Angleman, Sara; Santoni, Giola; Yan, Zhongrui; Cai, Chuanzhu; Qiu, Chengxuan

2014-08-01

Vascular risk factors such as hypertension and obesity have been associated with physical limitations among older adults. The purpose of this study is to examine whether individual and aggregated vascular risk factors (VRFs) are associated with functional dependence and to what extent carotid atherosclerosis (CAS) or peripheral artery disease (PAD) may mediate the possible associations of aggregated VRFs with functional dependence. This cross-sectional study included 1,451 community-living participants aged ≥60 years in the Confucius Hometown Aging Project of China. Data on demographic features, hypertension, high total cholesterol, obesity, smoking, physical inactivity, diabetes, CAS, PAD, and cardiovascular diseases (CVDs) were collected through an interview, a clinical examination, and laboratory tests. Functional dependence was defined as being dependent in at least one activity in the personal or instrumental activities of daily living. Data were analyzed using multiple logistic models controlling for potential confounders. We used the mediation model to explore the potential mediating effect of CAS and PAD on the associations of aggregated VRFs with functional dependence. Of the 1,451 participants, 222 (15.3%) had functional dependence. The likelihood of functional dependence increased linearly with increasing number of VRFs (hypertension, high total cholesterol, abdominal obesity, and physical inactivity) (p for trend dependence with clustering VRFs was mediated by CAS and PAD. Aggregation of multiple VRFs is associated with an increased likelihood of functional dependence among Chinese older adults; the association is partially mediated by carotid and peripheral artery atherosclerosis independently of CVDs.

Functional classification of protein structures by local structure matching in graph representation.

Science.gov (United States)

Mills, Caitlyn L; Garg, Rohan; Lee, Joslynn S; Tian, Liang; Suciu, Alexandru; Cooperman, Gene; Beuning, Penny J; Ondrechen, Mary Jo

2018-03-31

As a result of high-throughput protein structure initiatives, over 14,400 protein structures have been solved by structural genomics (SG) centers and participating research groups. While the totality of SG data represents a tremendous contribution to genomics and structural biology, reliable functional information for these proteins is generally lacking. Better functional predictions for SG proteins will add substantial value to the structural information already obtained. Our method described herein, Graph Representation of Active Sites for Prediction of Function (GRASP-Func), predicts quickly and accurately the biochemical function of proteins by representing residues at the predicted local active site as graphs rather than in Cartesian coordinates. We compare the GRASP-Func method to our previously reported method, structurally aligned local sites of activity (SALSA), using the ribulose phosphate binding barrel (RPBB), 6-hairpin glycosidase (6-HG), and Concanavalin A-like Lectins/Glucanase (CAL/G) superfamilies as test cases. In each of the superfamilies, SALSA and the much faster method GRASP-Func yield similar correct classification of previously characterized proteins, providing a validated benchmark for the new method. In addition, we analyzed SG proteins using our SALSA and GRASP-Func methods to predict function. Forty-one SG proteins in the RPBB superfamily, nine SG proteins in the 6-HG superfamily, and one SG protein in the CAL/G superfamily were successfully classified into one of the functional families in their respective superfamily by both methods. This improved, faster, validated computational method can yield more reliable predictions of function that can be used for a wide variety of applications by the community. © 2018 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

Cranial computed tomography associated with development of functional dependence in a community-based elderly population

International Nuclear Information System (INIS)

Tsukishima, Eri; Shido, Koichi

2002-01-01

The purpose of this study was to investigate whether changes at computed tomography (CT) imaging in the ageing brain are associated with future risks for functional dependence. One hundred sixty residents aged 69 years and older at the cranial CT and were independently living in a rural community in Hokkaido, Japan. Cranial CT was performed between 1991 and 1993, graded for ventricular enlargement, sulcal enlargement, white matter change, and small infarction. Functional status was reassessed in 1998 in each participant. Multiple logistic regression analysis was performed to estimate the association of CT changes in the ageing brain with development of functional dependence over six years. Functional dependence was found in 19 residents at the second survey. After adjusting for age, sex, medical conditions, and cognitive functioning, small infarction and ventricular enlargement were significantly associated with development of functional dependence (adjusted odds ratio=9.27 and 4.62). After controlling for age, the age-related changes on cranial CT have significant association on development of functional dependence. (author)

New COMPASS results on the spin structure function $g_1^p$, and QCD fit

CERN Document Server

Wilfert, Malte

2014-01-01

The COMPASS experiment at CERN SPS has taken data with a polarised muon beam scattering off a polarised NH 3 target in 2011. The beam energy has been increased to 200 GeV compared to 160 GeV in 2007 and thus, higher values of Q 2 and lower values of x are reached. From these data the longitudinal double spin asymmetry A p 1 and the spin-dependent structure function g p 1 are extracted. The results are used in a NLO QCD fit to the world data to obtain the polarised parton distributions and also to test the Bjorken sum rule, connecting the integral of the non-singlet structure function with the ratio of the weak coupling constants

Computational complexity of time-dependent density functional theory

International Nuclear Information System (INIS)

Whitfield, J D; Yung, M-H; Tempel, D G; Aspuru-Guzik, A; Boixo, S

2014-01-01

Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn–Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn–Sham system can be efficiently obtained given the time-dependent density. We introduce a V-representability parameter which diverges at the boundary of the existence domain and serves to quantify the numerical difficulty of constructing the Kohn-Sham potential. For bounded values of V-representability, we present a polynomial time quantum algorithm to generate the time-dependent Kohn–Sham potential with controllable error bounds. (paper)

Structure and Functions of Linker Histones.

Science.gov (United States)

Lyubitelev, A V; Nikitin, D V; Shaytan, A K; Studitsky, V M; Kirpichnikov, M P

2016-03-01

Linker histones such as variants H1, H5, and other similar proteins play an important role in regulation of chromatin structure and dynamics. However, interactions of linker histones with DNA and proteins, as well as specific functions of their different variants, are poorly studied. This is because they acquire tertiary structure only when interacting with a nucleosome, and because of limitations of currently available methods. However, deeper investigation of linker histones and their interactions with other proteins will address a number of important questions - from structure of compacted chromatin to regulation of early embryogenesis. In this review, structures of histone H1 variants and its interaction with chromatin DNA are considered. A possible functional significance of different H1 variants, a role of these proteins in maintaining interphase chromatin structure, and interactions of linker histones with other cellular proteins are also discussed.

Functional Generalized Structured Component Analysis.

Science.gov (United States)

Suk, Hye Won; Hwang, Heungsun

2016-12-01

An extension of Generalized Structured Component Analysis (GSCA), called Functional GSCA, is proposed to analyze functional data that are considered to arise from an underlying smooth curve varying over time or other continua. GSCA has been geared for the analysis of multivariate data. Accordingly, it cannot deal with functional data that often involve different measurement occasions across participants and a large number of measurement occasions that exceed the number of participants. Functional GSCA addresses these issues by integrating GSCA with spline basis function expansions that represent infinite-dimensional curves onto a finite-dimensional space. For parameter estimation, functional GSCA minimizes a penalized least squares criterion by using an alternating penalized least squares estimation algorithm. The usefulness of functional GSCA is illustrated with gait data.

Size-dependent structure of silver nanoparticles under high pressure

Energy Technology Data Exchange (ETDEWEB)

Koski, Kristie Jo [Univ. of California, Berkeley, CA (United States)

2008-12-31

Silver noble metal nanoparticles that are<10 nm often possess multiply twinned grains allowing them to adopt shapes and atomic structures not observed in bulk materials. The properties exhibited by particles with multiply twinned polycrystalline structures are often far different from those of single-crystalline particles and from the bulk. I will present experimental evidence that silver nanoparticles<10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. Results for nanoparticles in the intermediate size range of 5 to 10 nm suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. I propose a mechanism for this transitiion that considers the bond-length distribution in idealized multiply twinned icosahedral particles. Results for nanoparticles of 3.9 nm suggest a reversible linear pressure-dependent orthorhombic distortion. This distortion is interpreted in the context of idealized decahedral particles. In addition, given these size-dependent measurements of silver nanoparticle compression with pressure, we have constructed a pressure calibration curve. Encapsulating these silver nanoparticles in hollow metal oxide nanospheres then allows us to measure the pressure inside a nanoshell using x-ray diffraction. We demonstrate the measurement of pressure gradients across nanoshells and show that these nanoshells have maximum resolved shear strengths on the order of 500 MPa to IGPa.

Collagens--structure, function, and biosynthesis.

Science.gov (United States)

Gelse, K; Pöschl, E; Aigner, T

2003-11-28

The extracellular matrix represents a complex alloy of variable members of diverse protein families defining structural integrity and various physiological functions. The most abundant family is the collagens with more than 20 different collagen types identified so far. Collagens are centrally involved in the formation of fibrillar and microfibrillar networks of the extracellular matrix, basement membranes as well as other structures of the extracellular matrix. This review focuses on the distribution and function of various collagen types in different tissues. It introduces their basic structural subunits and points out major steps in the biosynthesis and supramolecular processing of fibrillar collagens as prototypical members of this protein family. A final outlook indicates the importance of different collagen types not only for the understanding of collagen-related diseases, but also as a basis for the therapeutical use of members of this protein family discussed in other chapters of this issue.

What can be learned from a precise measurement of the deuteron A(q2) structure function

International Nuclear Information System (INIS)

Platchkov, S.

1989-01-01

New accurate measurements of the deuteron A(q 2 ) structure function for momentum transfers between 1 and 18 fm -2 are reported. Data are compared to several representative theoretical predictions. The neutron electric form factor is inferred from the data and its model dependence is discussed

Structure and Function of Your Skin

Science.gov (United States)

... Name: Category: Share: Yes No, Keep Private Structure & Function of Your Skin Share | What It Looks Like . . . ... in the dermis. What It Does . . . The major function of skin is to provide a barrier between ...

ON PARTIAL DIFFERENTIAL AND DIFFERENCE EQUATIONS WITH SYMMETRIES DEPENDING ON ARBITRARY FUNCTIONS

Directory of Open Access Journals (Sweden)

Giorgio Gubbiotti

2016-06-01

Full Text Available In this note we present some ideas on when Lie symmetries, both point and generalized, can depend on arbitrary functions. We show a few examples, both in partial differential and partial difference equations where this happens. Moreover we show that the infinitesimal generators of generalized symmetries depending on arbitrary functions, both for continuous and discrete equations, effectively play the role of master symmetries.

Proteasomes in the archaea: from structure to function.

Science.gov (United States)

Maupin-Furlow, J A; Wilson, H L; Kaczowka, S J; Ou, M S

2000-09-01

Survival of cells is critically dependent on their ability to rapidly adapt to changes in the natural environment no matter how 'extreme'the habitat. An interplay between protein folding and hydrolysis is emerging as a central mechanism for stress survival and proper cell function. In eucaryotic cells, most proteins destined for destruction are covalently modified by the ubiquitin-system and then degraded in an energy-dependent mechanism by the 26S proteasome, a multicatalytic protease. The 26S proteasome is composed of a 20S proteolytic core and 19S cap (PA700) regulator which includes six AAA+ ATPase subunits. Related AAA+ proteins and 20S proteasomes are found in the archaea and Gram positive actinomycetes. In general, 20S proteasomes form a barrel-shaped nanocompartment with narrow openings which isolate rather non-specific proteolytic active-sites to the interior of the cylinder and away from interaction with cytosolic proteins. The proteasome-associated AAA+ proteins are predicted to form ring-like structures which unfold substrate proteins for entry into the central proteolytic 20S chamber resulting in an energy-dependent and processive destruction of the protein. Detailed biochemical and biophysical analysis as well as identification of proteasomes in archaea with developed genetic tools are providing a foundation for understanding the biological role of the proteasome in these unusual organisms.

The structural science of functional materials.

Science.gov (United States)

Catlow, C Richard A

2018-01-01

The growing complexity of functional materials and the major challenges this poses to structural science are discussed. The diversity of structural materials science and the contributions that computation is making to the field are highlighted.

QCD dipole prediction for dis and diffractive structure functions

International Nuclear Information System (INIS)

Royon, CH.

1996-01-01

The F 2 , F G , R = F L /F T proton structure functions are derived in the QCD dipole picture of BFKL dynamics. We get a three parameter fit describing the 1994 H1 proton structure function F 2 data in the low x, moderate Q 2 range. Without any additional parameter, the gluon density and the longitudinal structure functions are predicted. The diffractive dissociation processes are also discussed, and a new prediction for the proton diffractive structure function is obtained. (author)

Transverse Momentum Dependent Parton Distribution/Fragmentation Functions at an Electron-Ion Collider

International Nuclear Information System (INIS)

Anselmino, M.; Avakian, H.; Boer, D.; Bradamante, F.; Burkardt, M.; Chen, J.P.; Cisbani, E.; Contalbrigo, M.; Crabb, D.; Dutta, D.; Gamberg, L.; Gao, H.; Hasch, D.; Huang, J.; Huang, M.; Kang, Z.; Keppel, C.; Laskaris, G.; Liang, Z.-T.; Liu, M.X.; Makins, N.; Mckeown, R.D.; Metz, A.; Meziani, Z.-E.; Musch, B.; Peng, J.-C.; Prokudin, A.; Qian, X.; Qiang, Y.; Qiu, J.W.; Rossi, P.; Schweitzer, P.; Soffer, J.; Sulkosky, V.; Wang, Y.; Xiao, B.; Ye, Q.; Ye, Q.-J.; Yuan, F.; Zhan, X.; Zhang, Y.; Zheng, W.; Zhou, J.

2011-01-01

We present a summary of a recent workshop held at Duke University on Partonic Transverse Momentum in Hadrons: Quark Spin-Orbit Correlations and Quark-Gluon Interactions. The transverse momentum dependent parton distribution functions (TMDs), parton-to-hadron fragmentation functions, and multi-parton correlation functions, were discussed extensively at the Duke workshop. In this paper, we summarize first the theoretical issues concerning the study of partonic structure of hadrons at a future electron-ion collider (EIC) with emphasis on the TMDs. We then present simulation results on experimental studies of TMDs through measurements of single spin asymmetries (SSA) from semi-inclusive deep-inelastic scattering (SIDIS) processes with an EIC, and discuss the requirement of the detector for SIDIS measurements. The dynamics of parton correlations in the nucleon is further explored via a study of SSA in D ((bar D)) production at large transverse momenta with the aim of accessing the unexplored tri-gluon correlation functions. The workshop participants identified the SSA measurements in SIDIS as a golden program to study TMDs in both the sea and valence quark regions and to study the role of gluons, with the Sivers asymmetry measurements as examples. Such measurements will lead to major advancement in our understanding of TMDs in the valence quark region, and more importantly also allow for the investigation of TMDs in the sea quark region along with a study of their evolution.

[Changes in structure and function of the family of the adolescent in the last decade (1997-2007)].

Science.gov (United States)

Pérez Milena, Alejandro; Martínez Fernández, María Luz; Mesa Gallardo, Inmaculada; Pérez Milena, Rafael; Leal Helmling, Francisco Javier; Jiménez Pulido, Idoia

2009-09-01

To find out the structure and functioning of the family of the adolescent and its changes in the last decade. Cross-sectional descriptive study using questionnaires. Pupils in obligatory secondary education and high-school in one rural (Granada) and one urban (Jaén) area. Self-administered questionnaire (years 1997-2001-2004-2007) in which details of age, sex, family structure and family-Apgar test were recorded. A total of 1356 adolescents participated, 1271 questionnaires valid (259, 386, 246 and 380 respectively per year). Ages 12-18 years, equality of sexes. The nuclear family structure was predominant (78-84%), followed by single parent family in (7-11%), extended (6-7%) and reconstituted (2%). The family function was mainly normal (70-76%), with 30% dysfunction (slight dysfunction 18-21% and severe dysfunction 5-10%). The structure and family function does not vary by sex or the year of study, it is influenced by age: adolescents 16 years with a higher percentage of family dysfunction in 1997/2001 than the rest of ages, declining in the years 2004/2007 (P family in 1997 had a greater number of adolescents with normal family function (P family structures. The perception of family function in adolescents has changed and now does not depend on sex, age and structure. Family care during adolescence should focus on promoting positive family dynamics, regardless of family structure.

Founder takes all: density-dependent processes structure biodiversity.

Science.gov (United States)

Waters, Jonathan M; Fraser, Ceridwen I; Hewitt, Godfrey M

2013-02-01

Density-dependent processes play a key role in the spatial structuring of biodiversity. Specifically, interrelated demographic processes, such as gene surfing, high-density blocking, and competitive exclusion, can generate striking geographic contrasts in the distributions of genes and species. Here, we propose that well-studied evolutionary and ecological biogeographic patterns of postglacial recolonization, progressive island colonization, microbial sectoring, and even the 'Out of Africa' pattern of human expansion, are fundamentally similar, underpinned by a 'founder takes all' density-dependent principle. Additionally, we hypothesize that older historic constraints of density-dependent processes are seen today in the dramatic biogeographic shifts that occur in response to human-mediated extinction events, whereby surviving lineages rapidly expand their ranges to replace extinct sister taxa. Copyright © 2012 Elsevier Ltd. All rights reserved.

Molecular dissection of the APC/C inhibitor Rca1 shows a novel F-box-dependent function

OpenAIRE

Zielke, Norman; Querings, Silvia; Grosskortenhaus, Ruth; Reis, Tânia; Sprenger, Frank

2006-01-01

Rca1 (regulator of Cyclin A)/Emi (early mitotic inhibitor) proteins are essential inhibitors of the anaphase-promoting complex/cyclosome (APC/C). In Drosophila, Rca1 is required during G2 to prevent premature cyclin degradation by the Fizzy-related (Fzr)-dependent APC/C activity. Here, we present a structure and function analysis of Rca1 showing that a carboxy-terminal fragment is sufficient for APC/C inhibition. Rca1/Emi proteins contain a conserved F-box and interact with components of the ...

Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drug.

Science.gov (United States)

Noori Tahneh, Akram; Bagheri Novir, Samaneh; Balali, Ebrahim

2017-11-25

The geometrical structure, electronic and optical properties, electronic absorption spectra, vibrational frequencies, natural charge distribution, MEP analysis and thermodynamic properties of the trans and cis structures of the drug thiothixene were investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) methods with the B3LYP hybrid functional and 6-311 + G(d,p) basis set. The results of the calculations demonstrate that the cis structure of thiothixene has appropriate quantum properties that can act as an active medicine. The relative energies of trans and cis structures of thiothixene shows that the cis structure is more stable than the trans structure, with a small energy difference. TDDFT calculations show that the cis structure of thiothixene has the best absorption properties. The calculated NLO properties show that the NLO properties of the cis structure of thiothixene are higher than the trans structure, and the fact that the chemical hardness of the cis structure is lower than that of the trans structure that indicates that the reactivity and charge transfer of the cis isomer of thiothixene is higher than that of trans thiothixene. The molecular electrostatic potential (MEP) maps of both structures of thiothixene demonstrate that the oxygen atoms of the molecule are appropriate areas for electrophilic reactions. The vibrational frequencies of the two conformations of thiothixene demonstrate that both structures of thiothixene have almost similar modes of vibrations. The calculated thermodynamic parameters show that these quantities increase with enhancing temperature due to the enhancement of molecular vibrational intensities with temperature. Graphical abstract Trans/Cis isomerization of thiothixene drug.

Thermal analysis of in-situ curing for thermoset, hoop-wound structures using infrared heating: Part II. Dependent scattering effect

International Nuclear Information System (INIS)

Chern, B.C.; Moon, T.J.; Howell, J.R.

1995-01-01

The volume fraction of the fibers present in commercial filament wound structures, formed from either epoxy-impregnated tapes (open-quotes prepregclose quotes) or fiber strands pulled through an epoxy bath, approaches 60 percent. Such close-packed structures are near the region that may cause dependent scattering effects to be important; that is, the scattering characteristics of one fiber may be affected by the presence of nearby fibers. This dependent scattering may change the single-fiber extinction coefficient and phase function, and thus may change the radiative transfer in such materials. This effect is studied for unidirectional fibers dispersed in a matrix with nonunity refractive index, and with large size parameter (fiber diameter to wavelength ratio) typical of commercial fiber-matrix composites. Only the case of radiation incident normal to the cylinder axes is considered, as this maximizes the dependent effects. The dependent extinction efficiency is found by solving the dispersion relations for the complex effective propagation constant of the composites. An estimation of this dependent scattering effect on the infrared in-situ curing of thermoset-hoop-wound structures is also conducted. It is found that the wave interference effect is significant for S-glass/3501-6 composite, and neglect of this effect tends to overestimate the temperature and cure state within the materials during IR in-situ curing. 23 refs., 8 figs

[Functional neuro-navigation and intraoperative magnetic resonance imaging for the resection of gliomas involving eloquent language structures].

Science.gov (United States)

Chen, Xiao-lei; Xu, Bai-nan; Wang, Fei; Meng, Xiang-hui; Zhang, Jun; Jiang, Jin-li; Yu, Xin-guang; Zhou, Ding-biao

2011-08-01

To explore the clinical value of functional neuro-navigation and high-field-strength intraoperative magnetic resonance imaging (iMRI) for the resection of intracerebral gliomas involving eloquent language structures. From April 2009 to April 2010, 48 patients with intracerebral gliomas involving eloquent language structures, were operated with functional neuro-navigation and iMRI. Blood oxygen level dependent functional MRI (BOLD-fMRI) was used to depict both Broca and Wernicke cortex, while diffusion tensor imaging (DTI) based fiber tracking was used to delineate arcuate fasciculus. The reconstructed language structures were integrated into a navigation system, so that intra-operative microscopic-based functional neuro-navigation could be achieved. iMRI was used to update the images for both language structures and residual tumors. All patients were evaluated for language function pre-operatively and post-operatively upon short-term and long-term follow-up. In all patients, functional neuro-navigation and iMRI were successfully achieved. In 38 cases (79.2%), gross total resection was accomplished, while in the rest 10 cases (20.8%), subtotal resection was achieved. Only 1 case (2.1%) developed long-term (more than 3 months) new language function deficits at post-operative follow-up. No peri-operative mortality was recorded. With functional neuro-navigation and iMRI, the eloquent structures for language can be precisely located, while the resection size can be accurately evaluated intra-operatively. This technique is safe and helpful for preservation of language function.

Functional brain networks associated with cognitive control, cocaine dependence, and treatment outcome.

Science.gov (United States)

Worhunsky, Patrick D; Stevens, Michael C; Carroll, Kathleen M; Rounsaville, Bruce J; Calhoun, Vince D; Pearlson, Godfrey D; Potenza, Marc N

2013-06-01

Individuals with cocaine dependence often evidence poor cognitive control. The purpose of this exploratory study was to investigate networks of functional connectivity underlying cognitive control in cocaine dependence and examine the relationship of the networks to the disorder and its treatment. Independent component analysis (ICA) was applied to fMRI data to investigate if regional activations underlying cognitive control processes operate in functional networks, and whether these networks relate to performance and treatment outcome measures in cocaine dependence. Twenty patients completed a Stroop task during fMRI prior to entering outpatient treatment and were compared to 20 control participants. ICA identified five distinct functional networks related to cognitive control interference events. Cocaine-dependent patients displayed differences in performance-related recruitment of three networks. Reduced involvement of a "top-down" fronto-cingular network contributing to conflict monitoring correlated with better treatment retention. Greater engagement of two "bottom-up" subcortical and ventral prefrontal networks related to cue-elicited motivational processing correlated with abstinence during treatment. The identification of subcortical networks linked to cocaine abstinence and cortical networks to treatment retention suggests that specific circuits may represent important, complementary targets in treatment development for cocaine dependence. 2013 APA, all rights reserved

Polarization-dependent diffraction in all-dielectric, twisted-band structures

Energy Technology Data Exchange (ETDEWEB)

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Nuclear enhanced power corrections to DIS structure functions

OpenAIRE

Guo, Xiaofeng; Qiu, Jianwei; Zhu, Wei

2001-01-01

We calculate nuclear enhanced power corrections to structure functions measured in deeply inelastic lepton-nucleus scattering in Quantum Chromodynamics (QCD). We find that the nuclear medium enhanced power corrections at order of $O(\\alpha_s/Q^2)$ enhance the longitudinal structure function $F_L$, and suppress the transverse structure function $F_1$. We demonstrate that strong nuclear effects in $\\sigma_A/\\sigma_D$ and $R_A/R_D$, recently observed by HERMES Collaboration, can be explained in ...

Second-order QCD analysis of the photon structure function

International Nuclear Information System (INIS)

Antoniadis, I.; Grunberg, G.

1983-01-01

The QCD predictions for the photon structure function are reexamined with particular emphasis on the small-x behavior. A simple parametrization of the real photon structure function, free of 1/x singularity, is derived. The structure function is found to be sensitive at small x to the non-perturbatively calculable constant term in the n=2 moment, and we show that the problem of a negative structure function can be solved on the basis of the knowledge of this single non-perturbative parameter. (orig.)

Temperature dependence of the work function of ruthenium-based gate electrodes

International Nuclear Information System (INIS)

Alshareef, H.N.; Wen, H.C.; Luan, H.F.; Choi, K.; Harris, H.R.; Senzaki, Y.; Majhi, P.; Lee, B.H.; Foran, B.; Lian, G.

2006-01-01

The effect of device fabrication temperature on the work function of ruthenium (Ru) metal gate and its bilayers was investigated. The work function shows strong temperature dependence when Ru electrodes are deposited on silicon oxide, SiO 2 , but not on hafnium silicates (HfSiO x ). Specifically, the work function of Ru on SiO 2 increased from 4.5 eV at 500 deg. C to 5.0 eV at 700 deg. C. On further annealing to 900 deg. C or higher, the work function dropped to about 4.4 eV. In the case of HfSiO x , the work function of Ru changed by less than 100 mV over the same temperature range. Identical temperature dependence was observed using hafnium (Hf)/Ru and tantalum (Ta)/Ru bilayers. However, the peak values of the work function decreased with increasing Hf/Ru and Ta/Ru thickness ratios. Materials analysis suggests that these trends are driven by interactions at the Ru metal gate-dielectric interface

AGE STRUCTURE OR FUNCTIONAL RESPONSE? RECONCILING ...

African Journals Online (AJOL)

... surplus production that differ from traditional single-species management models. ... Specifically, while the ECOSIM “Arena” functional response and the von ... as a proxy for age structure rather than as a function of predator/prey behaviour, ...

Structural equation modeling identifies markers of damage and function in the aging male Fischer 344 rat.

Science.gov (United States)

Grunz-Borgmann, Elizabeth A; Nichols, LaNita A; Wiedmeyer, Charles E; Spagnoli, Sean; Trzeciakowski, Jerome P; Parrish, Alan R

2016-06-01

The male Fischer 344 rat is an established model to study progressive renal dysfunction that is similar, but not identical, to chronic kidney disease (CKD) in humans. These studies were designed to assess age-dependent alterations in renal structure and function at late-life timepoints, 16-24 months. Elevations in BUN and plasma creatinine were not significant until 24 months, however, elevations in the more sensitive markers of function, plasma cystatin C and proteinuria, were detectable at 16 and 18 months, respectively. Interestingly, cystatin C levels were not corrected by caloric restriction. Urinary Kim-1, a marker of CKD, was elevated as early as 16 months. Klotho gene expression was significantly decreased at 24 months, but not at earlier timepoints. Alterations in renal structure, glomerulosclerosis and tubulointerstitial fibrosis, were noted at 16 months, with little change from 18 to 24 months. Tubulointerstitial inflammation was increased at 16 months, and remained similar from 18 to 24 months. A SEM (structural equation modeling) model of age-related renal dysfunction suggests that proteinuria is a marker of renal damage, while urinary Kim-1 is a marker of both damage and function. Taken together, these results demonstrate that age-dependent nephropathy begins as early as 16 months and progresses rapidly over the next 8 months. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Functional Brain Networks Associated with Cognitive Control, Cocaine Dependence and Treatment Outcome

OpenAIRE

Worhunsky, Patrick D.; Stevens, Michael C.; Carroll, Kathleen M.; Rounsaville, Bruce J.; Calhoun, Vince D.; Pearlson, Godfrey D.; Potenza, Marc N.

2012-01-01

Individuals with cocaine dependence often evidence poor cognitive control. The purpose of this exploratory study was to investigate networks of functional connectivity underlying cognitive control in cocaine dependence and examine the relationship of the networks to the disorder and its treatment. Independent component analysis (ICA) was applied to fMRI data to investigate if regional activations underlying cognitive control processes operate in functional networks, and whether these networks...

EFFECTIVE HYPERFINE-STRUCTURE FUNCTIONS OF AMMONIA

Energy Technology Data Exchange (ETDEWEB)

Augustovičová, L.; Soldán, P.; Špirko, V., E-mail: spirko@marge.uochb.cas.cz [Charles University in Prague, Faculty of Mathematics and Physics, Department of Chemical Physics and Optics, Ke Karlovu 3, CZ-12116 Prague 2 (Czech Republic)

2016-06-20

The hyperfine structure of the rotation-inversion ( v {sub 2} = 0{sup +}, 0{sup −}, 1{sup +}, 1{sup −}) states of the {sup 14}NH{sub 3} and {sup 15}NH{sub 3} ammonia isotopomers is rationalized in terms of effective (ro-inversional) hyperfine-structure (hfs) functions. These are determined by fitting to available experimental data using the Hougen’s effective hyperfine-structure Hamiltonian within the framework of the non-rigid inverter theory. Involving only a moderate number of mass independent fitting parameters, the fitted hfs functions provide a fairly close reproduction of a large majority of available experimental data, thus evidencing adequacy of these functions for reliable prediction. In future experiments, this may help us derive spectroscopic constants of observed inversion and rotation-inversion transitions deperturbed from hyperfine effects. The deperturbed band centers of ammonia come to the forefront of fundamental physics especially as the probes of a variable proton-to-electron mass ratio.

On soft limits of large-scale structure correlation functions

International Nuclear Information System (INIS)

Sagunski, Laura

2016-08-01

Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

On soft limits of large-scale structure correlation functions

Energy Technology Data Exchange (ETDEWEB)

Sagunski, Laura

2016-08-15

Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

Electronic and Optical Properties of Small Hydrogenated Silicon Quantum Dots Using Time-Dependent Density Functional Theory

Directory of Open Access Journals (Sweden)

Muhammad Mus-’ab Anas

2015-01-01

Full Text Available This paper presents a systematic study of the absorption spectrum of various sizes of small hydrogenated silicon quantum dots of quasi-spherical symmetry using the time-dependent density functional theory (TDDFT. In this study, real-time and real-space implementation of TDDFT involving full propagation of the time-dependent Kohn-Sham equations were used. The experimental results for SiH4 and Si5H12 showed good agreement with other earlier calculations and experimental data. Then these calculations were extended to study larger hydrogenated silicon quantum dots with diameter up to 1.6 nm. It was found that, for small quantum dots, the absorption spectrum is atomic-like while, for relatively larger (1.6 nm structure, it shows bulk-like behavior with continuous plateau with noticeable peak. This paper also studied the absorption coefficient of silicon quantum dots as a function of their size. Precisely, the dependence of dot size on the absorption threshold is elucidated. It was found that the silicon quantum dots exhibit direct transition of electron from HOMO to LUMO states; hence this theoretical contribution can be very valuable in discerning the microscopic processes for the future realization of optoelectronic devices.

Fitting a function to time-dependent ensemble averaged data

DEFF Research Database (Denmark)

Fogelmark, Karl; Lomholt, Michael A.; Irbäck, Anders

2018-01-01

Time-dependent ensemble averages, i.e., trajectory-based averages of some observable, are of importance in many fields of science. A crucial objective when interpreting such data is to fit these averages (for instance, squared displacements) with a function and extract parameters (such as diffusion...... method, weighted least squares including correlation in error estimation (WLS-ICE), to particle tracking data. The WLS-ICE method is applicable to arbitrary fit functions, and we provide a publically available WLS-ICE software....

DNA: Structure and function

DEFF Research Database (Denmark)

Sinden, Richard R.; E. Pearson, Christopher; N. Potaman, Vladimir

1998-01-01

This chapter discusses the structure and function of DNA. DNA occupies a critical role in cells, because it is the source of all intrinsic genetic information. Chemically, DNA is a very stable molecule, a characteristic important for a macromolecule that may have to persist in an intact form...

Time-dependent reliability analysis and condition assessment of structures

International Nuclear Information System (INIS)

Ellingwood, B.R.

1997-01-01

Structures generally play a passive role in assurance of safety in nuclear plant operation, but are important if the plant is to withstand the effect of extreme environmental or abnormal events. Relative to mechanical and electrical components, structural systems and components would be difficult and costly to replace. While the performance of steel or reinforced concrete structures in service generally has been very good, their strengths may deteriorate during an extended service life as a result of changes brought on by an aggressive environment, excessive loading, or accidental loading. Quantitative tools for condition assessment of aging structures can be developed using time-dependent structural reliability analysis methods. Such methods provide a framework for addressing the uncertainties attendant to aging in the decision process

Decreased serum level of NGF in alcohol-dependent patients with declined executive function

Directory of Open Access Journals (Sweden)

Bae H

2014-11-01

Full Text Available Hwallip Bae,1 Youngsun Ra,1 Changwoo Han,2 Dai-Jin Kim3 1Department of Psychiatry, Myongji Hospital, Goyang, 2Department of Psychiatry, Keyo Hospital, Uiwang, 3Department of Psychiatry, Seoul St Mary’s Hospital, College of Medicine, Catholic University of Korea, Seoul, South Korea Abstract: The role of neurotrophic factors has been highlighted as a cause of decline in the cognitive function of alcohol-dependent patients. It is known that nerve-growth factor (NGF, one of the neurotrophins, is related to the growth and differentiation of nerve cells, as well as to a decline in cognitive function. The purpose of this study was to investigate the relationship between decreased NGF levels and cognitive decline in alcohol-dependent patients. The serum concentration of NGF was measured in 38 patients with chronic alcohol dependence, and several neuropsychological tests were also performed for cognitive function assessment. The results indicated a significant correlation between serum NGF level and the trail-making test part B, which evaluates executive function, but did not show a significant correlation with other cognitive function tests. An increased serum level of NGF was associated with a decreased completion time in the trail-making test B, and this finding indicates that a high serum level of NGF is related to greater executive function. This finding may imply a protective role of NGF in preventing neuron damage among patients with alcohol dependence. Larger controlled studies will be necessary in the future to investigate this issue further. Keywords: nerve-growth factor, alcohol dependence, executive function, trail-making test

Detecting positive quadrant dependence and positive function dependence

NARCIS (Netherlands)

Janic-Wróblewska, A.; Kallenberg, W.C.M.; Ledwina, T.

2004-01-01

There is a lot of interest in positive dependence going beyond linear correlation. In this paper three new rank tests for testing independence against positive dependence are introduced. The first one is directed on positive quadrant dependence, the second and third one concentrate on positive

Detecting positive quadrant dependence and positive function dependence

NARCIS (Netherlands)

Janic-Wróblewska, A.; Kallenberg, W.C.M.; Ledwina, T.

2003-01-01

There is a lot of interest in positive dependence going beyond linear correlation. In this paper three new rank tests for testing independence against positive dependence are introduced. The first one is directed on positive quadrant dependence, the second and third one concentrate on positive

A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic chains

International Nuclear Information System (INIS)

Liu Dan-Dan; Zhang Hong

2011-01-01

We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time-dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two transverse modes. As the chain length increases, the longitudinal plasmon mode is redshifted in energy while the transverse modes shift in the opposite direction (blueshifts). In addition, the energy gap between the two transverse modes reduces with chain length increasing. We find that there are unique characteristics, different from those of other metallic chains. These characteristics are crucial to atomic-scale engineering of single-molecule sensing, optical spectroscopy, and so on. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Unpolarised transverse momentum dependent distribution and fragmentation functions from SIDIS multiplicities

International Nuclear Information System (INIS)

Anselmino, M.; Boglione, M.; Gonzalez, H. J.O.; Melis, S.; Prokudin, A.

2014-01-01

In this study, the unpolarised transverse momentum dependent distribution and fragmentation functions are extracted from HERMES and COMPASS experimental measurements of SIDIS multiplicities for charged hadron production. The data are grouped into independent bins of the kinematical variables, in which the TMD factorisation is expected to hold. A simple factorised functional form of the TMDs is adopted, with a Gaussian dependence on the intrinsic transverse momentum, which turns out to be quite adequate in shape. HERMES data do not need any normalisation correction, while fits of the COMPASS data much improve with a y-dependent overall normalisation factor. A comparison of the extracted TMDs with previous EMC and JLab data confirms the adequacy of the simple gaussian distributions. The possible role of the TMD evolution is briefly considered

Deep inelastic singlet structure functions and scaling violation

Energy Technology Data Exchange (ETDEWEB)

Wen-zhu, Li; Bing-xun, Hu

1984-02-01

The flavour singlet structure functions of deep inelastic scattering processes can yield more decisive tests of QCD than the non-singlet. We give analytical expression for flavour singlet structure functions through analysing the lepton-nucleon deep inelastic scattering processes by means of QCD and using Jacobi polynomials. This expression contains 4 to 5 parameters and shows the changes of the singlet structure functions with x and Q/sup 2/ very well. In QCD leading order, the conclusion is in reasonable agreement with experimental data.

The spin-dependent structure function of the proton g(1)(p) and a test of the Bjorken sum rule

Czech Academy of Sciences Publication Activity Database

Alekseev, M.; Alexakhin, V. Yu.; Alexandrov, Yu.; Alexeev, G. D.; Amoroso, A.; Austregisilio, A.; Badelek, B.; Balestra, F.; Ball, J.; Barth, J.; Baum, G.; Bedfer, Y.; Bernhard, J.; Bertini, R.; Bettinelli, M.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Bravar, A.; Bressan, A.; Brona, G.; Burtin, E.; Bussa, M.; Chaberny, D.; Chiosso, M.; Chung, S.U.; Cicuttin, A.; Colantoni, M.; Cotic, D.; Crespo, M.; Dalla Torre, S.; Das, S.; Dasgupta, S. S.; Denisov, O.; Dhara, L.; Diaz, V.; Donskov, S.; Doshita, N.; Duic, V.; Dünnweber, W.; Efremov, A.V.; El Alaoui, A.; Eversheim, P.; Eyrich, W.; Faessler, M.; Ferrero, A.; Filin, A.; Finger, M.; Finger jr., M.; Fischer, H.; Franco, C.; Friedrich, J.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.; Gazda, R.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gnesi, I.; Gobbo, B.; Goertz, S.; Grabmüller, S.; Grasso, A.; Grube, B.; Gushterski, R.; Guskov, A.; Haas, F.; von Harrach, D.; Hasegawa, T.; Heinsius, F.; Hermann, R.; Herrmann, F.; Hess, C.; Hinterberger, F.; Horikawa, N.; Höppner, Ch.; d'Hose, N.; Ilgner, C.; Ishimoto, S.; Ivanov, O.; Ivanshin, Yu.; Iwata, T.; Jahn, R.; Jasinski, P.; Jegou, G.; Joosten, R.; Kabuss, E.; Käfer, W.; Kang, D.; Ketzer, B.; Khaustov, G.; Khokhlov, Y.; Kisselev, Y.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.; Kolosov, V.; Kondo, K.; Königsmann, K.; Konopka, R.; Konorov, I.; Konstantinov, V.; Korzenev, A.; Kotzinian, A.; Kouznetsov, O.; Kowalik, K.; Krämer, M.; Kral, A.; Kroumchtein, Z.; Kuhn, R.; Kunne, F.; Kurek, K.; Lauser, L.; Le Goff, J.; Lednev, A.; Lehmann, A.; Levorato, S.; Lichtenstadt, J.; Liska, T.; Maggiora, A.; Maggiora, M.; Magnon, A.; Mallot, G.; Mann, A.; Marchand, C.; Marroncle, J.; Martin, A.; Marzec, J.; Massmann, F.; Matsuda, T.; Meyer, W.; Michigami, T.; Mikhailov, Y.; Moinester, M.; Mutter, A.; Nagaytsev, A.; Nagel, T.; Nassalski, J.; Negrini, S.; Nerling, F.; Neubert, S.; Neyret, D.; Nikolaenko, V.; Nunes, A.S.; Olshevsky, A.; Ostrick, M.; Padee, A.; Panknin, R.; Panzieri, D.; Parsamyan, B.; Paul, S.; Pawlukiewicz-Kaminska, B.; Perevalova, E.; Pesaro, G.; Peshekhonov, D.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.; Pontecorvo, G.; Pretz, J.; Quintans, C.; Rajotte, J.; Ramos, S.; Rapatsky, V.; Reicherz, G.; Richter, A.; Robinet, F.; Rocco, E.; Rondio, E.; Ryabchikov, D.; Samoylenko, V.; Sandacz, A.; Santos, H.; Sapozhnikov, M.; Sarkar, S.; Savin, I.; Sbrizzai, G.; Schiavon, P.; Schill, C.; Schlütter, T.; Schmitt, L.; Schopferer, S.; Schröder, W.; Shevchenko, O.; Siebert, H.; Silva, L.; Sinha, L.; Sissakian, A.; Slunecka, M.; Smirnov, G.; Sosio, S.; Sozzi, F.; Srnka, Aleš; Stolarski, M.; Sulc, M.; Sulej, R.; Takekawa, S.; Tessaro, S.; Tessarotto, F.; Teufel, A.; Tkatchev, L.; Uhl, S.; Uman, I.; Virius, M.; Vlassov, N.; Vossen, A.; Weitzel, Q.; Windmolders, R.; Wislicki, W.; Wollny, H.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Ziembicki, M.; Zhao, J.; Zhuravlev, N.; Zvyagin, A.

2010-01-01

Roč. 690, č. 5 (2010), s. 466-472 ISSN 0370-2693 R&D Projects: GA MŠk ME 492 Institutional research plan: CEZ:AV0Z20650511 Keywords : deep inelastic scattering * structure function * QCD analysis * Bjorken sum rule Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 5.255, year: 2010

Designing Structure-Dependent MPC-Based AGC Schemes Considering Network Topology

Directory of Open Access Journals (Sweden)

Young-Sik Jang

2015-04-01

Full Text Available This paper presents the important features of structure-dependent model predictive control (MPC-based approaches for automatic generation control (AGC considering network topology. Since power systems have various generators under different topologies, it is necessary to reflect the characteristics of generators in power networks and the control system structures in order to improve the dynamic performance of AGC. Specifically, considering control system structures is very important because not only can the topological problems be reduced, but also a computing system for AGC in a bulk-power system can be realized. Based on these considerations, we propose new schemes in the proposed controller for minimizing inadvertent line flows and computational burden, which strengthen the advantages of MPC-based approach for AGC. Analysis and simulation results in the IEEE 39-bus model system show different dynamic behaviors among structure-dependent control schemes and possible improvements in computational burden via the proposed control scheme while system operators in each balancing area consider physical load reference ramp constraints among generators.

Molecular dissection of the APC/C inhibitor Rca1 shows a novel F-box-dependent function.

Science.gov (United States)

Zielke, Norman; Querings, Silvia; Grosskortenhaus, Ruth; Reis, Tânia; Sprenger, Frank

2006-12-01

Rca1 (regulator of Cyclin A)/Emi (early mitotic inhibitor) proteins are essential inhibitors of the anaphase-promoting complex/cyclosome (APC/C). In Drosophila, Rca1 is required during G2 to prevent premature cyclin degradation by the Fizzy-related (Fzr)-dependent APC/C activity. Here, we present a structure and function analysis of Rca1 showing that a carboxy-terminal fragment is sufficient for APC/C inhibition. Rca1/Emi proteins contain a conserved F-box and interact with components of the Skp-Cullin-F-box (SCF) complex. So far, no function has been ascribed to this domain. We find that the F-box of Rca1 is dispensable for APC/C-Fzr inhibition during G2. Nevertheless, we show that Rca1 has an additional function at the G1-S transition, which requires the F-box. Overexpression of Rca1 accelerates the G1-S transition in an F-box-dependent manner. Conversely, S-phase entry is delayed in cells in which endogenous Rca1 is replaced by a transgene lacking the F-box. We propose that Rca1 acts as an F-box protein in an as yet uncharacterized SCF complex, which promotes S-phase entry.

Functional approach to a time-dependent self-consistent field theory

International Nuclear Information System (INIS)

Reinhardt, H.

1979-01-01

The time-dependent Hartree-Fock approximation is formulated within the path integral approach. It is shown that by a suitable choice of the collective field the classical equation of motion of the collective field coincides with the time-dependent Hartree (TDH) equation. The consideration is restricted to the TDH equation, since the exchange terms do not appear in the functional approach on the same footing as the direct terms

Structure functions in the chiral bag model

International Nuclear Information System (INIS)

Sanjose, V.; Vento, V.; Centro Mixto CSIC/Valencia Univ., Valencia

1989-01-01

We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.)

Structure functions in the chiral bag model

Energy Technology Data Exchange (ETDEWEB)

Sanjose, V.; Vento, V.

1989-07-13

We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.).

Analytic structure of the wave function for a hydrogen atom in an analytic potential

International Nuclear Information System (INIS)

Hill, R.N.

1984-01-01

The rate of convergence of an approximate method for solving Schroedinger's equation depends on the ability of the approximating sequence to mimic the analytic structure of the unknown exact wave function. Thus a knowledge of the analytic structure of the wave function can be of great value when approximation schemes are designed. Consider the Schroedinger equation [- 1/2 del 2 -r -1 +V(r)]Psi(r) = EPsi(r) for a hydrogen atom in a potential V(r). The general theory of elliptic partial differential equations implies that Psi is analytic at regular points, but no general theory is available at singular points. The present paper investigates the Coulomb singular point at r = 0 and shows that, if V(r) = V 1 (x, y, z)+rV 2 (x, y, z) where V 1 and V 2 are analytic functions of x, y, z at x = y = z = 0, then the wave function has the form Psi(r) = Psi 1 (x, y, z)+rPsi 2 (x, y, z) where Psi 1 and Psi 2 are analytic functions of x, y, z at x = y = z = 0

Sex on the brain: Are gender-dependent structural and functional differences associated with behavior?

Science.gov (United States)

Grabowska, Anna

2017-01-02

A substantial number of studies provide evidence documenting a variety of sex differences in the brain. It remains unclear whether sexual differentiation at the neural level is related to that observed in daily behavior, cognitive function, and the risk of developing certain psychiatric and neurological disorders. Some investigators have questioned whether the brain is truly sexually differentiated and support this view with several arguments including the following: (1) brain structural or functional differences are not necessarily reflected in appropriate differences at the behavioral level, which might suggest that these two phenomena are not linked to each other; and (2) sex-related differences in the brain are rather small and concern features that significantly overlap between males and females. This review polemicizes with those opinions and presents examples of sex-related local neural differences underpinning a variety of sex differences in behaviors, skills, and cognitive/emotional abilities. Although male/female brain differentiation may vary in pattern and scale, nonetheless, in some respects (e.g., relative local gray matter volumes) it can be substantial, taking the form of sexual dimorphism and involving large areas of the brain (the cortex in particular). A significant part of this review is devoted to arguing that some sex differences in the brain may serve to prevent (in the case where they are maladaptive), rather than to produce, differences at the behavioral/skill level. Specifically, some differences might result from compensatory mechanisms aimed at maintaining similar intellectual capacities across the sexes, despite the smaller average volume of the brain in females compared with males. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Progress on nuclear modifications of structure functions

Directory of Open Access Journals (Sweden)

Kumano S.

2016-01-01

Full Text Available We report progress on nuclear structure functions, especially on their nuclear modifications and a new tensor structure function for the deuteron. To understand nuclear structure functions is an important step toward describing nuclei and QCD matters from low to high densities and from low to high energies in terms of fundamental quark and gluon degrees of freedom beyond conventional hadron and nuclear physics. It is also practically important for understanding new phenomena in high-energy heavy-ion collisions at RHIC and LHC. Furthermore, since systematic errors of current neutrinooscillation experiments are dominated by uncertainties of neutrino-nucleus interactions, such studies are valuable for finding new physics beyond current framework. Next, a new tensor-polarized structure function b1 is discussed for the deuteron. There was a measurement by HERMES; however, its data are inconsistent with the conventional convolution estimate based on the standard deuteron model with D-state admixture. This fact suggests that a new hadronic phenomenon should exist in the tensor-polarized deuteron at high energies, and it will be experimentally investigated at JLab from the end of 2010’s.

Kinetic-energy density functional: Atoms and shell structure

International Nuclear Information System (INIS)

Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

1996-01-01

We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

The contact activation proteins: a structure/function overview

NARCIS (Netherlands)

Meijers, J. C.; McMullen, B. A.; Bouma, B. N.

1992-01-01

In recent years, extensive knowledge has been obtained on the structure/function relationships of blood coagulation proteins. In this overview, we present recent developments on the structure/function relationships of the contact activation proteins: factor XII, high molecular weight kininogen,

Nucleon structure functions in noncommutative space-time

Energy Technology Data Exchange (ETDEWEB)

Rafiei, A.; Rezaei, Z.; Mirjalili, A. [Yazd University, Physics Department, Yazd (Iran, Islamic Republic of)

2017-05-15

In the context of noncommutative space-time we investigate the nucleon structure functions which play an important role in identifying the internal structure of nucleons. We use the corrected vertices and employ new vertices that appear in two approaches of noncommutativity and calculate the proton structure functions in terms of the noncommutative tensor θ{sub μν}. To check our results we plot the nucleon structure function (NSF), F{sub 2}(x), and compare it with experimental data and the results from the GRV, GJR and CT10 parametrization models. We show that with the new vertex that arises the noncommutativity correction will lead to a better consistency between theoretical results and experimental data for the NSF. This consistency will be better for small values of the Bjorken variable x. To indicate and confirm the validity of our calculations we also act conversely. We obtain a lower bound for the numerical values of Λ{sub NC} scale which correspond to recent reports. (orig.)

Collagens - structure, function and biosynthesis.

OpenAIRE

Gelse, K; Poschl, E; Aigner, T

2003-01-01

The extracellular matrix represents a complex alloy of variable members of diverse protein families defining structural integrity and various physiological functions. The most abundant family is the collagens with more than 20 different collagen types identified so far. Collagens are centrally involved in the formation of fibrillar and microfibrillar networks of the extracellular matrix, basement membranes as well as other structures of the extracellular matrix. This review focuses on the dis...

Activity-Dependent Exocytosis of Lysosomes Regulates the Structural Plasticity of Dendritic Spines.

Science.gov (United States)

Padamsey, Zahid; McGuinness, Lindsay; Bardo, Scott J; Reinhart, Marcia; Tong, Rudi; Hedegaard, Anne; Hart, Michael L; Emptage, Nigel J

2017-01-04

Lysosomes have traditionally been viewed as degradative organelles, although a growing body of evidence suggests that they can function as Ca 2+ stores. Here we examined the function of these stores in hippocampal pyramidal neurons. We found that back-propagating action potentials (bpAPs) could elicit Ca 2+ release from lysosomes in the dendrites. This Ca 2+ release triggered the fusion of lysosomes with the plasma membrane, resulting in the release of Cathepsin B. Cathepsin B increased the activity of matrix metalloproteinase 9 (MMP-9), an enzyme involved in extracellular matrix (ECM) remodelling and synaptic plasticity. Inhibition of either lysosomal Ca 2+ signaling or Cathepsin B release prevented the maintenance of dendritic spine growth induced by Hebbian activity. This impairment could be rescued by exogenous application of active MMP-9. Our findings suggest that activity-dependent exocytosis of Cathepsin B from lysosomes regulates the long-term structural plasticity of dendritic spines by triggering MMP-9 activation and ECM remodelling. Crown Copyright © 2017. Published by Elsevier Inc. All rights reserved.

Deuteron A(Q2) structure function and the neutron electric form factor

International Nuclear Information System (INIS)

Platchkov, S.; Amroun, A.; Auffret, S.; Cavedon, J.M.; Dreux, P.; Duclos, J.; Frois, B.; Goutte, D.; Hachemi, H.; Martino, J.

1989-01-01

We present new measurements of the deuteron A(Q 2 ) structure function in the momentum transfer region between 1 and 18 fm -2 . The accuracy of the data ranges from 2% to 6%. We investigate the sensitivity of A(Q 2 ) to the nucleon-nucleon interaction and to the neutron electric form factor G E n . Our analysis shows that below 20 fm -2 G E n can be inferred from these data with a significantly improved accuracy. The model dependence of this analysis is discussed

Non-Stationary Dependence Structures for Spatial Extremes

KAUST Repository

Huser, Raphaël

2016-03-03

Max-stable processes are natural models for spatial extremes because they provide suitable asymptotic approximations to the distribution of maxima of random fields. In the recent past, several parametric families of stationary max-stable models have been developed, and fitted to various types of data. However, a recurrent problem is the modeling of non-stationarity. In this paper, we develop non-stationary max-stable dependence structures in which covariates can be easily incorporated. Inference is performed using pairwise likelihoods, and its performance is assessed by an extensive simulation study based on a non-stationary locally isotropic extremal t model. Evidence that unknown parameters are well estimated is provided, and estimation of spatial return level curves is discussed. The methodology is demonstrated with temperature maxima recorded over a complex topography. Models are shown to satisfactorily capture extremal dependence.

Predicting taxonomic and functional structure of microbial communities in acid mine drainage.

Science.gov (United States)

Kuang, Jialiang; Huang, Linan; He, Zhili; Chen, Linxing; Hua, Zhengshuang; Jia, Pu; Li, Shengjin; Liu, Jun; Li, Jintian; Zhou, Jizhong; Shu, Wensheng

2016-06-01

Predicting the dynamics of community composition and functional attributes responding to environmental changes is an essential goal in community ecology but remains a major challenge, particularly in microbial ecology. Here, by targeting a model system with low species richness, we explore the spatial distribution of taxonomic and functional structure of 40 acid mine drainage (AMD) microbial communities across Southeast China profiled by 16S ribosomal RNA pyrosequencing and a comprehensive microarray (GeoChip). Similar environmentally dependent patterns of dominant microbial lineages and key functional genes were observed regardless of the large-scale geographical isolation. Functional and phylogenetic β-diversities were significantly correlated, whereas functional metabolic potentials were strongly influenced by environmental conditions and community taxonomic structure. Using advanced modeling approaches based on artificial neural networks, we successfully predicted the taxonomic and functional dynamics with significantly higher prediction accuracies of metabolic potentials (average Bray-Curtis similarity 87.8) as compared with relative microbial abundances (similarity 66.8), implying that natural AMD microbial assemblages may be better predicted at the functional genes level rather than at taxonomic level. Furthermore, relative metabolic potentials of genes involved in many key ecological functions (for example, nitrogen and phosphate utilization, metals resistance and stress response) were extrapolated to increase under more acidic and metal-rich conditions, indicating a critical strategy of stress adaptation in these extraordinary communities. Collectively, our findings indicate that natural selection rather than geographic distance has a more crucial role in shaping the taxonomic and functional patterns of AMD microbial community that readily predicted by modeling methods and suggest that the model-based approach is essential to better understand natural

Mining approximate temporal functional dependencies with pure temporal grouping in clinical databases.

Science.gov (United States)

Combi, Carlo; Mantovani, Matteo; Sabaini, Alberto; Sala, Pietro; Amaddeo, Francesco; Moretti, Ugo; Pozzi, Giuseppe

2015-07-01

Functional dependencies (FDs) typically represent associations over facts stored by a database, such as "patients with the same symptom get the same therapy." In more recent years, some extensions have been introduced to represent both temporal constraints (temporal functional dependencies - TFDs), as "for any given month, patients with the same symptom must have the same therapy, but their therapy may change from one month to the next one," and approximate properties (approximate functional dependencies - AFDs), as "patients with the same symptomgenerallyhave the same therapy." An AFD holds most of the facts stored by the database, enabling some data to deviate from the defined property: the percentage of data which violate the given property is user-defined. According to this scenario, in this paper we introduce approximate temporal functional dependencies (ATFDs) and use them to mine clinical data. Specifically, we considered the need for deriving new knowledge from psychiatric and pharmacovigilance data. ATFDs may be defined and measured either on temporal granules (e.g.grouping data by day, week, month, year) or on sliding windows (e.g.a fixed-length time interval which moves over the time axis): in this regard, we propose and discuss some specific and efficient data mining techniques for ATFDs. We also developed two running prototypes and showed the feasibility of our proposal by mining two real-world clinical data sets. The clinical interest of the dependencies derived considering the psychiatry and pharmacovigilance domains confirms the soundness and the usefulness of the proposed techniques. Copyright © 2014 Elsevier Ltd. All rights reserved.

Regional-Scale Drivers of Forest Structure and Function in Northwestern Amazonia

Science.gov (United States)

Higgins, Mark A.; Asner, Gregory P.; Anderson, Christopher B.; Martin, Roberta E.; Knapp, David E.; Tupayachi, Raul; Perez, Eneas; Elespuru, Nydia; Alonso, Alfonso

2015-01-01

Field studies in Amazonia have found a relationship at continental scales between soil fertility and broad trends in forest structure and function. Little is known at regional scales, however, about how discrete patterns in forest structure or functional attributes map onto underlying edaphic or geological patterns. We collected airborne LiDAR (Light Detection and Ranging) data and VSWIR (Visible to Shortwave Infrared) imaging spectroscopy measurements over 600 km2 of northwestern Amazonian lowland forests. We also established 83 inventories of plant species composition and soil properties, distributed between two widespread geological formations. Using these data, we mapped forest structure and canopy reflectance, and compared them to patterns in plant species composition, soils, and underlying geology. We found that variations in soils and species composition explained up to 70% of variation in canopy height, and corresponded to profound changes in forest vertical profiles. We further found that soils and plant species composition explained more than 90% of the variation in canopy reflectance as measured by imaging spectroscopy, indicating edaphic and compositional control of canopy chemical properties. We last found that soils explained between 30% and 70% of the variation in gap frequency in these forests, depending on the height threshold used to define gaps. Our findings indicate that a relatively small number of edaphic and compositional variables, corresponding to underlying geology, may be responsible for variations in canopy structure and chemistry over large expanses of Amazonian forest. PMID:25793602

Regional-scale drivers of forest structure and function in northwestern Amazonia.

Directory of Open Access Journals (Sweden)

Mark A Higgins

Full Text Available Field studies in Amazonia have found a relationship at continental scales between soil fertility and broad trends in forest structure and function. Little is known at regional scales, however, about how discrete patterns in forest structure or functional attributes map onto underlying edaphic or geological patterns. We collected airborne LiDAR (Light Detection and Ranging data and VSWIR (Visible to Shortwave Infrared imaging spectroscopy measurements over 600 km2 of northwestern Amazonian lowland forests. We also established 83 inventories of plant species composition and soil properties, distributed between two widespread geological formations. Using these data, we mapped forest structure and canopy reflectance, and compared them to patterns in plant species composition, soils, and underlying geology. We found that variations in soils and species composition explained up to 70% of variation in canopy height, and corresponded to profound changes in forest vertical profiles. We further found that soils and plant species composition explained more than 90% of the variation in canopy reflectance as measured by imaging spectroscopy, indicating edaphic and compositional control of canopy chemical properties. We last found that soils explained between 30% and 70% of the variation in gap frequency in these forests, depending on the height threshold used to define gaps. Our findings indicate that a relatively small number of edaphic and compositional variables, corresponding to underlying geology, may be responsible for variations in canopy structure and chemistry over large expanses of Amazonian forest.

A Structural Equation Approach to Models with Spatial Dependence

NARCIS (Netherlands)

Oud, Johan H. L.; Folmer, Henk

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

A structural equation approach to models with spatial dependence

NARCIS (Netherlands)

Oud, J.H.L.; Folmer, H.

2008-01-01

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

A Structural Equation Approach to Models with Spatial Dependence

NARCIS (Netherlands)

Oud, J.H.L.; Folmer, H.

2008-01-01

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

Time-dependent quantum fluid density functional theory of hydrogen ...

Indian Academy of Sciences (India)

A time-dependent generalized non-linear Schrödinger equation (GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in threedimensional space. In continuation of the work reported previously, the GNLSE is applied to provide additional knowledge on ...

Structural priority approach to fluid-structure interaction problems

International Nuclear Information System (INIS)

Au-Yang, M.K.; Galford, J.E.

1981-01-01

In a large class of dynamic problems occurring in nuclear reactor safety analysis, the forcing function is derived from the fluid enclosed within the structure itself. Since the structural displacement depends on the fluid pressure, which in turn depends on the structural boundaries, a rigorous approach to this class of problems involves simultaneous solution of the coupled fluid mechanics and structural dynamics equations with the structural response and the fluid pressure as unknowns. This paper offers an alternate approach to the foregoing problems. 8 refs

Small-x Resummation and HERA Structure Function Data

CERN Document Server

Altarelli, Guido; Forte, Stefano; Altarelli, Guido; Ball, Richard D.; Forte, Stefano

2001-01-01

We apply our systematic NLO small x resummation of singlet splitting functions to the scaling violations of structure functions and compare the results with data. We develop various theoretical tools which are needed in order to relate resummed parton distributions to measurable structure functions, and we present results from a variety of fits to HERA data for the structure functions F_2 and F_L using the resummation. The behaviour of the singlet splitting functions at small x and fixed Q^2 is effectively parametrized as x^{-lambda}. We find that, for lambda small or negative, the resummed description of scaling violations may be phenomenologically as good as or even better than the standard next-to-leading order treatment. However, the best fit gluon density and value of alpha_s can be significantly modified by the resummation.

Frequency-dependent springs in the seismic analysis of structures

International Nuclear Information System (INIS)

Tyapin, A.G.

2005-01-01

This paper presents a two-step algorithm for the seismic analysis of structure resting on the rigid embedded basement. Frequency-domain analysis of SSI is carried out on the second step for a platform model with special 'soil spring' which is complex, frequency-dependent, wave-dependent and non-balanced. Theory is presented to obtain the parameters of the soil spring on the first step of the analysis, performed without structure (only geometry of the basement is used) using well-known SASSI code (Lysmer et al, 1981) or in some other ways. On the second step in the SASSI analysis the soil spring is included in the model as a special finite element. Thus, the first step enables to save the computer resources on structure, the second step-to save resources on soil. Soil spring is the most general form for a SSI linear analysis: conventional springs and dashpots can be easily represented in such a format. Thus, the presented approach enables to study the impact of various factors (such as the embedment depth and soil-structure separation, the off-diagonal stiffness, various formulas for stiffness and damping, etc.) on the soil spring parameters. These parameters can be studied separately from the structure itself. As an example, the study of the horizontal soil mesh size is presented. Lumped soil spring may be used on the second step to obtain structural response spectra. To get stresses complex stiffness may be distributed over the basement slab and embedded walls. The proposed approach may be considered to be the alternative to the impedance method (see ASCE4-98). (authors)

Characterisation of structure-dependent functional properties of lignin with infrared spectroscopy

NARCIS (Netherlands)

Boeriu, C.G.; Bravo, D.; Gosselink, R.J.A.; Dam, van J.E.G.

2004-01-01

Fourier-transformed infrared spectroscopy (FT-IR) was evaluated as an analytical technique for the estimation of the chemical composition and functional properties of lignin. A sample set containing various non-wood, hardwood and softwood lignins isolated by different processing technologies was

Structural and Functional Recovery of Sensory Cilia in C. elegans IFT Mutants upon Aging.

Directory of Open Access Journals (Sweden)

Astrid Cornils

2016-12-01

Full Text Available The majority of cilia are formed and maintained by the highly conserved process of intraflagellar transport (IFT. Mutations in IFT genes lead to ciliary structural defects and systemic disorders termed ciliopathies. Here we show that the severely truncated sensory cilia of hypomorphic IFT mutants in C. elegans transiently elongate during a discrete period of adult aging leading to markedly improved sensory behaviors. Age-dependent restoration of cilia morphology occurs in structurally diverse cilia types and requires IFT. We demonstrate that while DAF-16/FOXO is dispensable, the age-dependent suppression of cilia phenotypes in IFT mutants requires cell-autonomous functions of the HSF1 heat shock factor and the Hsp90 chaperone. Our results describe an unexpected role of early aging and protein quality control mechanisms in suppressing ciliary phenotypes of IFT mutants, and suggest possible strategies for targeting subsets of ciliopathies.

Non-concomitant cortical structural and functional alterations in sensorimotor areas following incomplete spinal cord injury

Directory of Open Access Journals (Sweden)

Yu Pan

2017-01-01

Full Text Available Brain plasticity, including anatomical changes and functional reorganization, is the physiological basis of functional recovery after spinal cord injury (SCI. The correlation between brain anatomical changes and functional reorganization after SCI is unclear. This study aimed to explore whether alterations of cortical structure and network function are concomitant in sensorimotor areas after incomplete SCI. Eighteen patients with incomplete SCI (mean age 40.94 ± 14.10 years old; male:female, 7:11 and 18 healthy subjects (37.33 ± 11.79 years old; male:female, 7:11 were studied by resting state functional magnetic resonance imaging. Gray matter volume (GMV and functional connectivity were used to evaluate cortical structure and network function, respectively. There was no significant alteration of GMV in sensorimotor areas in patients with incomplete SCI compared with healthy subjects. Intra-hemispheric functional connectivity between left primary somatosensory cortex (BA1 and left primary motor cortex (BA4, and left BA1 and left somatosensory association cortex (BA5 was decreased, as well as inter-hemispheric functional connectivity between left BA1 and right BA4, left BA1 and right BA5, and left BA4 and right BA5 in patients with SCI. Functional connectivity between both BA4 areas was also decreased. The decreased functional connectivity between the left BA1 and the right BA4 positively correlated with American Spinal Injury Association sensory score in SCI patients. The results indicate that alterations of cortical anatomical structure and network functional connectivity in sensorimotor areas were non-concomitant in patients with incomplete SCI, indicating the network functional changes in sensorimotor areas may not be dependent on anatomic structure. The strength of functional connectivity within sensorimotor areas could serve as a potential imaging biomarker for assessment and prediction of sensory function in patients with incomplete SCI