Science.gov

Sample records for accessible conformational space

  1. Mapping the conformational space accessible to catechol-O-methyltransferase.

    PubMed

    Ehler, Andreas; Benz, Jörg; Schlatter, Daniel; Rudolph, Markus G

    2014-08-01

    Methylation catalysed by catechol-O-methyltransferase (COMT) is the main pathway of catechol neurotransmitter deactivation in the prefrontal cortex. Low levels of this class of neurotransmitters are held to be causative of diseases such as schizophrenia, depression and Parkinson's disease. Inhibition of COMT may increase neurotransmitter levels, thus offering a route for treatment. Structure-based drug design hitherto seems to be based on the closed enzyme conformation. Here, a set of apo, semi-holo, holo and Michaelis form crystal structures are described that define the conformational space available to COMT and that include likely intermediates along the catalytic pathway. Domain swaps and sizeable loop movements around the active site testify to the flexibility of this enzyme, rendering COMT a difficult drug target. The low affinity of the co-substrate S-adenosylmethionine and the large conformational changes involved during catalysis highlight significant energetic investment to achieve the closed conformation. Since each conformation of COMT is a bona fide target for inhibitors, other states than the closed conformation may be promising to address. Crystallographic data for an alternative avenue of COMT inhibition, i.e. locking of the apo state by an inhibitor, are presented. The set of COMT structures may prove to be useful for the development of novel classes of inhibitors.

  2. Mapping the conformational space accessible to catechol-O-methyltransferase.

    PubMed

    Ehler, Andreas; Benz, Jörg; Schlatter, Daniel; Rudolph, Markus G

    2014-08-01

    Methylation catalysed by catechol-O-methyltransferase (COMT) is the main pathway of catechol neurotransmitter deactivation in the prefrontal cortex. Low levels of this class of neurotransmitters are held to be causative of diseases such as schizophrenia, depression and Parkinson's disease. Inhibition of COMT may increase neurotransmitter levels, thus offering a route for treatment. Structure-based drug design hitherto seems to be based on the closed enzyme conformation. Here, a set of apo, semi-holo, holo and Michaelis form crystal structures are described that define the conformational space available to COMT and that include likely intermediates along the catalytic pathway. Domain swaps and sizeable loop movements around the active site testify to the flexibility of this enzyme, rendering COMT a difficult drug target. The low affinity of the co-substrate S-adenosylmethionine and the large conformational changes involved during catalysis highlight significant energetic investment to achieve the closed conformation. Since each conformation of COMT is a bona fide target for inhibitors, other states than the closed conformation may be promising to address. Crystallographic data for an alternative avenue of COMT inhibition, i.e. locking of the apo state by an inhibitor, are presented. The set of COMT structures may prove to be useful for the development of novel classes of inhibitors. PMID:25084335

  3. Quantifying polypeptide conformational space: sensitivity to conformation and ensemble definition.

    PubMed

    Sullivan, David C; Lim, Carmay

    2006-08-24

    Quantifying the density of conformations over phase space (the conformational distribution) is needed to model important macromolecular processes such as protein folding. In this work, we quantify the conformational distribution for a simple polypeptide (N-mer polyalanine) using the cumulative distribution function (CDF), which gives the probability that two randomly selected conformations are separated by less than a "conformational" distance and whose inverse gives conformation counts as a function of conformational radius. An important finding is that the conformation counts obtained by the CDF inverse depend critically on the assignment of a conformation's distance span and the ensemble (e.g., unfolded state model): varying ensemble and conformation definition (1 --> 2 A) varies the CDF-based conformation counts for Ala(50) from 10(11) to 10(69). In particular, relatively short molecular dynamics (MD) relaxation of Ala(50)'s random-walk ensemble reduces the number of conformers from 10(55) to 10(14) (using a 1 A root-mean-square-deviation radius conformation definition) pointing to potential disconnections in comparing the results from simplified models of unfolded proteins with those from all-atom MD simulations. Explicit waters are found to roughen the landscape considerably. Under some common conformation definitions, the results herein provide (i) an upper limit to the number of accessible conformations that compose unfolded states of proteins, (ii) the optimal clustering radius/conformation radius for counting conformations for a given energy and solvent model, (iii) a means of comparing various studies, and (iv) an assessment of the applicability of random search in protein folding.

  4. Conformal Transformations and Space Travel.

    PubMed

    Gupta, S N

    1961-10-27

    Conformal transformations are applied to the motion of a space ship experiencing a constant acceleration. The role of proper time is interpreted in terms of atomic periods, and the relationship between the conformal transformations and the general theory of relativity is clarified.

  5. Access to space studies

    NASA Technical Reports Server (NTRS)

    Martin, James A.

    1993-01-01

    The National Aeronautics and Space Administration is currently considering possible directions in Earth-to-orbit vehicle development under a study called 'Access to Space.' This agency-wide study is considering commercial launch vehicles, human transportation, space station logistics, and other space transportation requirements over the next 40 years. Three options are being considered for human transportation: continued use of the Space Shuttle; development of a small personnel carrier (personnel logistics system (PLS)); or development of an advanced vehicle such as a single-stage-to-orbit (SSTO). Several studies related to the overall Access to Space study are reported in this document.

  6. Access to space study

    NASA Technical Reports Server (NTRS)

    1994-01-01

    This report summarizes the results of a comprehensive NASA in-house study to identify and assess alternate approaches to access to space through the year 2030, and to select and recommend a preferred cause of action. The goals of the study were to identify the best vehicles and transportation architectures to make major reductions in the cost of space transportation (at least 50%), while at the same time increasing safety for flight crews by at least an order of magnitude. In addition, vehicle reliability was to exceed 0.98 percent, and, as important, the robustness, pad time, turnaround time, and other aspects of operability were to be vastly improved. This study examined three major optional architectures: (1) retain and upgrade the Space Shuttle and expendable launch vehicles; (2) develop new expendable vehicles using conventional technologies and transition from current vehicles beginning in 2005; and (3) develop new reusable vehicles using advanced technology, and transition from current vehicles beginning in 2008. The launch-needs, mission model utilized for for the study was based upon today's projection of civil, defense, and commercial mission payload requirements.

  7. Astronauts Access Web from Space

    NASA Video Gallery

    Aboard the International Space Station, Expedition 22 Commander Jeff Williams and Flight Engineers Soichi Noguchi and T.J. Creamer share their thoughts about Internet access from space and post a r...

  8. Affine conformal vectors in space-time

    NASA Astrophysics Data System (ADS)

    Coley, A. A.; Tupper, B. O. J.

    1992-05-01

    All space-times admitting a proper affine conformal vector (ACV) are found. By using a theorem of Hall and da Costa, it is shown that such space-times either (i) admit a covariantly constant vector (timelike, spacelike, or null) and the ACV is the sum of a proper affine vector and a conformal Killing vector or (ii) the space-time is 2+2 decomposable, in which case it is shown that no ACV can exist (unless the space-time decomposes further). Furthermore, it is proved that all space-times admitting an ACV and a null covariantly constant vector (which are necessarily generalized pp-wave space-times) must have Ricci tensor of Segré type {2,(1,1)}. It follows that, among space-times admitting proper ACV, the Einstein static universe is the only perfect fluid space-time, there are no non-null Einstein-Maxwell space-times, and only the pp-wave space-times are representative of null Einstein-Maxwell solutions. Otherwise, the space-times can represent anisotropic fluids and viscous heat-conducting fluids, but only with restricted equations of state in each case.

  9. Conformal linear gravity in de Sitter space

    SciTech Connect

    Takook, M. V.; Tanhayi, M. R.; Fatemi, S.

    2010-03-15

    It has been shown that the theory of linear conformal quantum gravity must include a tensor field of rank-3 and mixed symmetry [Binegar et al., Phys. Rev. D 27, 2249 (1983)]. In this paper, we obtain the corresponding field equation in de Sitter space. Then, in order to relate this field with the symmetric tensor field of rank-2, K{sub {alpha}}{sub {beta}} related to graviton, we will define homomorphisms between them. Our main result is that if one insists K{sub {alpha}}{sub {beta}} to be a unitary irreducible representation of de Sitter and conformal groups, it must satisfy a field equation of order of 6, which is obtained.

  10. Securing America's access to space

    SciTech Connect

    Rendine, M.; Wood, L.

    1990-05-23

    We review pertinent aspects of the history of the space launch capabilities of the United States and survey its present status and near-term outlook. Steps which must be taken, pitfalls which much be avoided, and a core set of National options for re-acquiring in the near term the capability to access the space environment with large payloads are discussed. We devote considerable attention to the prospect of creating an interim heavy-lift space launch vehicle of at least 100,000 pound payload-orbiting capacity to serve National needs during the next dozen years, suggesting that such a capability can be demonstrated within 5 years for less than $1 B. Such capability will apparently be essential for meeting the first-phase goals of the President's Space Exploration Initiative. Some other high-leverage aspects of securing American access to space are also noted briefly, emphasizing unconventional technological approaches of presently high promise.

  11. A novel family of space-filling curves in their relation to chromosome conformation in eukaryotes

    NASA Astrophysics Data System (ADS)

    Smrek, Jan; Grosberg, Alexander Y.

    2013-12-01

    Spatial conformation of DNA chains during interphase in eukaryotic cell nucleus is relatively dense, yet unknotted and exhibits self-similar fractal properties. In this respect it resembles the space-filling curves of Hilbert, but differs in the experimentally accessible contact probability of distant loci. Here we construct space-filling curves with fractal domain boundaries of dimension close to that of the embedding space and show how these match the statistical properties and the contact probability of the DNA conformation. The present mathematical model should shed light on the statistical ensemble of unknotted dense polymers and ease the modeling of genome folding and related biological processes.

  12. On the local non-conforming virtual element spaces

    SciTech Connect

    Manzini, Gianmarco; Gyrya, Vitaliy

    2014-11-13

    The construction of the local non-conforming virtual element spaces is discussed and the isomorphism between their functions and the polynomial moments of such functions is established by a formal argument and two different constructive proofs.

  13. Small Satellite Access of the Space Network

    NASA Technical Reports Server (NTRS)

    Horan, Stephen; Minnix, Timothy O.; Vigil, J. S.

    1999-01-01

    Small satellites have been perceived as having limited access to NASA's Space Network (SN). The potential for satellite access of the space network when the design utilizes a fixed antenna configuration and low-power, coded transmission is analyzed. From the analysis, satellites using this configuration in high-inclination orbits are shown to have a daily data throughput in the 100 to 1000 Mbit range using the multiple access communications service.

  14. Entanglement entropy from the truncated conformal space

    NASA Astrophysics Data System (ADS)

    Palmai, T.

    2016-08-01

    A new numerical approach to entanglement entropies of the Rényi type is proposed for one-dimensional quantum field theories. The method extends the truncated conformal spectrum approach and we will demonstrate that it is especially suited to study the crossover from massless to massive behavior when the subsystem size is comparable to the correlation length. We apply it to different deformations of massless free fermions, corresponding to the scaling limit of the Ising model in transverse and longitudinal fields. For massive free fermions the exactly known crossover function is reproduced already in very small system sizes. The new method treats ground states and excited states on the same footing, and the applicability for excited states is illustrated by reproducing Rényi entropies of low-lying states in the transverse field Ising model.

  15. Fast Access to Space Tourism

    NASA Astrophysics Data System (ADS)

    Favata', P.; Martineau, N.

    2002-01-01

    creating a revolutionary space-orbiting habitat dedicated to tourism. Up to now, such proposals have focused on two approaches. The first accounts for financial and technological constraints on space flight and living, and sacrifices creativity for practicality. The second is more utopic in nature and proposes projects, which are imaginative but unfeasible in the near future. This proposal is innovative because it considers the current obstacles to space tourism and utilizes existing technologies and infrastructures, but also includes the forethinking of futuristic commercial projects. Project Objectives: NASA claims that commercialization of space activities is so difficult that it will require decades more funding of so-called space-technology development. The benefits of this project show that this is not true. First, safety has been addressed because this proposal utilizes already space tested and assured technologies. Second, the project demonstrates potential for significant economic profit within the near future. Because we are using the least expensive technology available, we have limited start up costs. We forecast up to forty flights per year, with a potential capacity of eighty tourists. The design objectives focus on the proposal of a new approach to space tourism. These include: the expansion of the living space in the interiors, innovative and creative interior design, increased concern for the physiological and psychological comfort of tourists, and attention to entertainment possibilities. Project Content: The efficiency of the launch and configuration phase is one of the strengths of the proposed project. We propose the use of the Zenith 2 launcher, a large two-stage vehicle developed in the Soviet Union in the early 1980s, for the configuration of the orbiting platform. Following the Russian outfitting philosophy, once in orbit, the platform is already functional. The interior design is based on advanced lightweight inflatable technologies which

  16. Simple space-time symmetries: Generalizing conformal field theory

    SciTech Connect

    Mack, Gerhard; Riese, Mathias de

    2007-05-15

    We study simple space-time symmetry groups G which act on a space-time manifold M=G/H which admits a G-invariant global causal structure. We classify pairs (G,M) which share the following additional properties of conformal field theory. (1) The stability subgroup H of o set-membership sign M is the identity component of a parabolic subgroup of G, implying factorization H=MAN{sup -}, where M generalizes Lorentz transformations, A dilatations, and N{sup -} special conformal transformations. (2) Special conformal transformations {xi} set-membership sign N{sup -} act trivially on tangent vectors v set-membership sign T{sub o}M. The allowed simple Lie groups G are the universal coverings of SU(m,m),SO(2,D),Sp(l,R),SO*(4n), and E{sub 7(-25)} and H are particular maximal parabolic subgroups. They coincide with the groups of fractional linear transformations of Euclidean Jordan algebras whose use as generalizations of Minkowski space-time was advocated by Guenaydin [Mod. Phys. Lett. A 8, 1407 (1993)]. All these groups G admit positive energy representations. It will also be shown that the classical conformal groups SO(2,D) are the only allowed groups which possess an automorphism with properties appropriate for a time reflection.

  17. Access to Space Interactive Design Web Site

    NASA Technical Reports Server (NTRS)

    Leon, John; Cutlip, William; Hametz, Mark

    2000-01-01

    The Access To Space (ATS) Group at NASA's Goddard Space Flight Center (GSFC) supports the science and technology community at GSFC by facilitating frequent and affordable opportunities for access to space. Through partnerships established with access mode suppliers, the ATS Group has developed an interactive Mission Design web site. The ATS web site provides both the information and the tools necessary to assist mission planners in selecting and planning their ride to space. This includes the evaluation of single payloads vs. ride-sharing opportunities to reduce the cost of access to space. Features of this site include the following: (1) Mission Database. Our mission database contains a listing of missions ranging from proposed missions to manifested. Missions can be entered by our user community through data input tools. Data is then accessed by users through various search engines: orbit parameters, ride-share opportunities, spacecraft parameters, other mission notes, launch vehicle, and contact information. (2) Launch Vehicle Toolboxes. The launch vehicle toolboxes provide the user a full range of information on vehicle classes and individual configurations. Topics include: general information, environments, performance, payload interface, available volume, and launch sites.

  18. Global Trends in Space Access and Utilization

    NASA Technical Reports Server (NTRS)

    Rahman, Shamim A.; Keim, Nicholas S.; Zeender, Peter E.

    2010-01-01

    In the not-so-distant past, space access and air/space technology superiority were within the purview of the U.S. and former Soviet Union's respective space agencies, both vying for global leadership in space exploitation. In more recent years, with the emergence of the European Space Agency (ESA) member countries and Asian countries joining the family of space-faring nations, it is truer now more than ever that space access and utilization has become a truly global enterprise. In fact, according to the Space Report 2007, this enterprise is a $251-billion economy. It is possible to gauge the vitality of worldwide efforts from open sources in today's transparent, media-based society. In particular, print and web broadcasters regularly report and catalog global space activities for defense and civil purposes. For the purposes of this paper, a representative catalog of missions is used to illustrate the nature of the emerging "globalization." This paper highlights global trends in terms of not only the providers of space access, but also the end-users for the various recently accomplished missions. With well over 50 launches per year, in recent years, the launch-log reveals a surprising percentage of "cooperative or co-dependent missions" where different agencies, countries, and/or commercial entities are so engaged presumably to the benefit of all who participate. Statistics are cited and used to show that recently over d0% of the 50-plus missions involved multiple nations working collectively to deliver payloads to orbit. Observers, space policy professionals, and space agency leaders have eloquently proposed that it might require the combined resources and talents of multiple nations to advance human exploration goals beyond low earth orbit. This paper does not intend to offer new information with respect to whether international collaboration is necessary but to observe that, in continuing to monitor global trends, the results seem to support the thesis that a

  19. CASH 2021: commercial access and space habitation.

    PubMed

    Aldrin, Andrew; Amara, Adam; Aris, Lodewijk; Baierl, Nida; Beatty, Patrick; Beaulieu, Catherine; Behnke, Torsten; Castegini, Roberta; Chauhan, Amitabh; Cojanis, Philip; Dayawansa, Pelawa; Diop, Marie; Eito, Kinya; Engle, Steve; Feretti, Stefano; Gassama, Hamet; Genova, Bojana; Goulding, Colin; Janjua, Jameel; Jansaeng, Thidarat; Jousset, Frederic; Kopik, Anatoly; Laurin, Catherine; Leggatt, Jason; Li, Hengnian; Mezzadri, Monica; Miura, Amane; Nolet, Simon; Ogami, Satoshi; Patry, Johanne; Patten, Laryssa; Payerne, Cyril; Peer, Guy; Prampolini, Marco; Rheaume, Caroline; Saary, Joan; Spehar, Daniela; Sufi, Atiya; Sun, Baosheng; Thompson, J Barry; Thomson, Ward; Trautner, Roland; Tursunmuratov, Murat; Venet, Vrata; Wilems, Elizabeth; Wilson, Helen; Wittwer, Karl; Wokke, Frank; Wu, Yansheng; Zhou, Shaobin; Zilioli, Ilaria

    2002-01-01

    Issues about commercialization of space have been a growing concern in the past decade for the space community. This paper focuses on the work from a team of 51 students attending the Summer Session Program of the International Space University in Bremen, Germany. CASH 2021 (Commercial Access and Space Habitation) documents a plan that identifies commercial opportunities for space utilization that will extend human presence in space, and will chart the way forward for the next 20 years. The group selected four commercial sectors that show the most promise for the future: tourism, entertainment, space system service, assembly and debris removal, and research and development/production. The content of this document presents the results of their research. Historical activities in each of the commercial sectors are reviewed along with the current market situation. To provide a coherent background for future commercialization possibilities a scenario has been developed. This scenario includes a postulated upon ideal future and includes social, political and economic factors that may affect the space industry over the timeline of the study. The study also presents a roadmap, within the limited optimistic scenario developed, for the successful commercialization of space leading to future human presence in space. A broad range of commercially viable opportunities, not only within the current limits of the International Space Station, but also among the many new developments that are expected by 2021 are discussed.

  20. CASH 2021: commercial access and space habitation.

    PubMed

    Aldrin, Andrew; Amara, Adam; Aris, Lodewijk; Baierl, Nida; Beatty, Patrick; Beaulieu, Catherine; Behnke, Torsten; Castegini, Roberta; Chauhan, Amitabh; Cojanis, Philip; Dayawansa, Pelawa; Diop, Marie; Eito, Kinya; Engle, Steve; Feretti, Stefano; Gassama, Hamet; Genova, Bojana; Goulding, Colin; Janjua, Jameel; Jansaeng, Thidarat; Jousset, Frederic; Kopik, Anatoly; Laurin, Catherine; Leggatt, Jason; Li, Hengnian; Mezzadri, Monica; Miura, Amane; Nolet, Simon; Ogami, Satoshi; Patry, Johanne; Patten, Laryssa; Payerne, Cyril; Peer, Guy; Prampolini, Marco; Rheaume, Caroline; Saary, Joan; Spehar, Daniela; Sufi, Atiya; Sun, Baosheng; Thompson, J Barry; Thomson, Ward; Trautner, Roland; Tursunmuratov, Murat; Venet, Vrata; Wilems, Elizabeth; Wilson, Helen; Wittwer, Karl; Wokke, Frank; Wu, Yansheng; Zhou, Shaobin; Zilioli, Ilaria

    2002-01-01

    Issues about commercialization of space have been a growing concern in the past decade for the space community. This paper focuses on the work from a team of 51 students attending the Summer Session Program of the International Space University in Bremen, Germany. CASH 2021 (Commercial Access and Space Habitation) documents a plan that identifies commercial opportunities for space utilization that will extend human presence in space, and will chart the way forward for the next 20 years. The group selected four commercial sectors that show the most promise for the future: tourism, entertainment, space system service, assembly and debris removal, and research and development/production. The content of this document presents the results of their research. Historical activities in each of the commercial sectors are reviewed along with the current market situation. To provide a coherent background for future commercialization possibilities a scenario has been developed. This scenario includes a postulated upon ideal future and includes social, political and economic factors that may affect the space industry over the timeline of the study. The study also presents a roadmap, within the limited optimistic scenario developed, for the successful commercialization of space leading to future human presence in space. A broad range of commercially viable opportunities, not only within the current limits of the International Space Station, but also among the many new developments that are expected by 2021 are discussed. PMID:12583394

  1. CASH 2021: Commercial access and space habitation

    NASA Astrophysics Data System (ADS)

    Aldrin, Andrew; Amara, Adam; Aris, Lodewijk; Baierl, Nida; Beatty, Patrick; Beaulieu, Catherine; Behnke, Torsten; Castegini, Roberta; Chauhan, Amitabh; Cojanis, Philip; Dayawansa, Pelawa; Diop, Marie; Eito, Kinya; Engle, Steve; Ferretti, Stefano; Gassama, Hamet; Genova, Bojana; Goulding, Colin; Janjua, Jameel; Jansaeng, Thidarat; Jousset, Frédéric; Kopik, Anatoly; Laurin, Catherine; Leggatt, Jason; Li, Hengnian; Mezzadri, Monica; Miura, Amane; Nolet, Simon; Ogami, Satoshi; Patry, Johanne; Patten, Laryssa; Payerne, Cyril; Peer, Guy; Prampolini, Marco; Rheaume, Caroline; Saary, Joan; Spehar, Daniela; Sufi, Atiya; Sun, Baosheng; Thompson, J. Barry; Thomson, Ward; Trautner, Roland; Tursunmuratov, Murat; Venet, Vrata; Wilems, Elizabeth; Wilson, Helen; Wittwer, Karl; Wokke, Frank; Wu, Yansheng; Zhou, Shaobin; Zilioli, Ilaria

    2002-07-01

    Issues about commercialization of space have been a growing concern in the past decade for the space community. This paper focuses on the work from a team of 51 students attending the Summer Session Program of the International Space University in Bremen, Germany. CASH 2021 (Commercial Access and Space Habitation) documents a plan that identifies commercial opportunities for space utilization that will extend human presence in space, and will chart the way forward for the next 20 years. The group selected four commercial sectors that show the most promise for the future: tourism, entertainment, space system service, assembly and debris removal, and research and development/production. The content of this document presents the results of their research. Historical activities in each of the commercial sectors are reviewed along with the current market situation. To provide a coherent background for future commercialization possibilities a scenario has been developed. This scenario includes a postulated upon ideal future and includes social, political and economic factors that may affect the space industry over the timeline of the study. The study also presents a roadmap, within the limited optimistic scenario developed, for the successful commercialization of space leading to future human presence in space. A broad range of commercially viable opportunities, not only within the current limits of the International Space Station, but also among the many new developments that are expected by 2021 are discussed.

  2. Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations.

    PubMed

    Gong, Linchen; Zhou, Xin

    2009-08-01

    Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. The nondegenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of metastable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into nontransition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.

  3. Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations

    NASA Astrophysics Data System (ADS)

    Gong, Linchen; Zhou, Xin

    2009-08-01

    Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. The nondegenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of metastable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into nontransition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.

  4. Equivalence of emergent de Sitter spaces from conformal field theory

    NASA Astrophysics Data System (ADS)

    Asplund, Curtis T.; Callebaut, Nele; Zukowski, Claire

    2016-09-01

    Recently, two groups have made distinct proposals for a de Sitter space that is emergent from conformal field theory (CFT). The first proposal is that, for two-dimensional holographic CFTs, the kinematic space of geodesics on a space-like slice of the asymptotically anti-de Sitter bulk is two-dimensional de Sitter space (dS2), with a metric that can be derived from the entanglement entropy of intervals in the CFT. In the second proposal, de Sitter dynamics emerges naturally from the first law of entanglement entropy for perturbations around the vacuum state of CFTs. We provide support for the equivalence of these two emergent spacetimes in the vacuum case and beyond. In particular, we study the kinematic spaces of nontrivial solutions of 3d gravity, including the BTZ black string, BTZ black hole, and conical singularities. We argue that the resulting spaces are generically globally hyperbolic spacetimes that support dynamics given boundary conditions at future infinity. For the BTZ black string, corresponding to a thermal state of the CFT, we show that both prescriptions lead to an emergent hyperbolic patch of dS2. We offer a general method for relating kinematic space and the auxiliary de Sitter space that is valid in the vacuum and thermal cases.

  5. Molecular conformational space analysis using computer graphics: going beyond FRODO.

    PubMed

    Nilsson, O

    1990-12-01

    The molecular graphics program FRODO has been modified to support analytical animation of molecular dynamics trajectories. The enhanced program, mdFRODO, supports all features available in FRODO and is interfaced to GROMOS. A variety of analytical animation modes is included. Extensive coloring and atom selection features are implemented to aid the user in distinguishing features of interest in a set of conformations. Molecular conformational space can be analyzed efficiently and comprehended. Animations may be viewed in stereo, and the animated object can be overlaid with any of the standard FRODO objects. The mdFRODO program is of wide use in molecular dynamics, X-ray crystallography and two-dimensional NMR work. Examples illustrating various aspects of collective motion in protein molecules are given and discussed.

  6. The RNA Exosome Channeling and Direct Access Conformations Have Distinct In Vivo Functions.

    PubMed

    Han, Jaeil; van Hoof, Ambro

    2016-09-20

    The RNA exosome is a 3'-5' ribonuclease complex that is composed of nine core subunits and an essential catalytic subunit, Rrp44. Two distinct conformations of Rrp44 were revealed in previous structural studies, suggesting that Rrp44 may change its conformation to exert its function. In the channeling conformation, (Rrp44(ch)), RNA accesses the active site after traversing the central channel of the RNA exosome, whereas in the other conformation, (Rrp44(da)), RNA gains direct access to the active site. Here, we show that the Rrp44(da) exosome is important for nuclear function of the RNA exosome. Defects caused by disrupting the direct access conformation are distinct from those caused by channel-occluding mutations, indicating specific functions for each conformation. Our genetic analyses provide in vivo evidence that the RNA exosome employs a direct-access route to recruit specific substrates, indicating that the RNA exosome uses alternative conformations to act on different RNA substrates.

  7. The RNA Exosome Channeling and Direct Access Conformations Have Distinct In Vivo Functions.

    PubMed

    Han, Jaeil; van Hoof, Ambro

    2016-09-20

    The RNA exosome is a 3'-5' ribonuclease complex that is composed of nine core subunits and an essential catalytic subunit, Rrp44. Two distinct conformations of Rrp44 were revealed in previous structural studies, suggesting that Rrp44 may change its conformation to exert its function. In the channeling conformation, (Rrp44(ch)), RNA accesses the active site after traversing the central channel of the RNA exosome, whereas in the other conformation, (Rrp44(da)), RNA gains direct access to the active site. Here, we show that the Rrp44(da) exosome is important for nuclear function of the RNA exosome. Defects caused by disrupting the direct access conformation are distinct from those caused by channel-occluding mutations, indicating specific functions for each conformation. Our genetic analyses provide in vivo evidence that the RNA exosome employs a direct-access route to recruit specific substrates, indicating that the RNA exosome uses alternative conformations to act on different RNA substrates. PMID:27653695

  8. Cargo Assured Access to International Space Station

    NASA Technical Reports Server (NTRS)

    Smith, David A.

    2004-01-01

    Boeing's Cargo Assured Access logistics delivery system will provide a means to transport cargo to/from the International Space Station, Low Earth Orbit and the moon using Expendable Launch Vehicles. For Space Station, this capability will reduce cargo resupply backlog during nominal operations (e.g., supplement Shuttle, Progress, ATV and HTV) and augment cargo resupply capability during contingency operations (e.g., Shuttle delay and/or unavailability of International Partner launch or transfer vehicles). This capability can also provide an autonomous means to deliver cargo to lunar orbit, a lunar orbit refueling and work platform, and a contingency crew safe haven in support of NASA's new Exploration Initiative.

  9. Non-equilibrium phenomena and molecular reaction dynamics: mode space, energy space and conformer space

    NASA Astrophysics Data System (ADS)

    Glowacki, David R.; Lightfoot, Robert; Harvey, Jeremy N.

    2013-03-01

    The ability to characterise and control matter far away from equilibrium is a frontier challenge facing modern science. In this article, we sketch out a heuristic structure for thinking about the different ways in which non-equilibrium phenomena can impact molecular reaction dynamics. Our analytical schema includes three different regimes, organised according to increasing dynamical resolution: at the lowest resolution, we have conformer phase space, at an intermediate resolution, we have energy space; and at the highest resolution, we have mode space. Within each regime, we discuss practical definitions of non-equilibrium phenomena, mostly in terms of the corresponding relaxation timescales. Using this analytical framework, we discuss some recent non-equilibrium reaction dynamics studies spanning isolated small-molecule ensembles, gas-phase ensembles and solution-phase ensembles. This includes new results that provide insight into how non-equilibrium phenomena impact the solution-phase alkene-hydroboration reaction. We emphasise that interesting non-equilibrium dynamical phenomena often occur when the relaxation timescales characterising each regime are similar. In closing, we reflect on outstanding challenges and future research directions to guide our understanding of how non-equilibrium phenomena impact reaction dynamics.

  10. Stratospheric Balloon Platforms for Near Space Access

    NASA Astrophysics Data System (ADS)

    Dewey, R. G.

    2012-12-01

    For over five decades, high altitude aerospace balloon platforms have provided a unique vantage point for space and geophysical research by exposing scientific instrument packages and experiments to space-like conditions above 99% of Earth's atmosphere. Reaching altitudes in excess of 30 km for durations ranging from hours to weeks, high altitude balloons offer longer flight durations than both traditional sounding rockets and emerging suborbital reusable launch vehicles. For instruments and experiments requiring access to high altitudes, engineered balloon systems provide a timely, responsive, flexible, and cost-effective vehicle for reaching near space conditions. Moreover, high altitude balloon platforms serve as an early means of testing and validating hardware bound for suborbital or orbital space without imposing space vehicle qualifications and certification requirements on hardware in development. From float altitudes above 30 km visible obscuration of the sky is greatly reduced and telescopes and other sensors function in an orbit-like environment, but in 1g. Down-facing sensors can take long-exposure atmospheric measurements and images of Earth's surface from oblique and nadir perspectives. Payload support subsystems such as telemetry equipment and command, control, and communication (C3) interfaces can also be tested and operationally verified in this space-analog environment. For scientific payloads requiring over-flight of specific areas of interests, such as an active volcano or forest region, advanced mission planning software allows flight trajectories to be accurately modeled. Using both line-of-sight and satellite-based communication systems, payloads can be tracked and controlled throughout the entire mission duration. Under NASA's Flight Opportunities Program, NSC can provide a range of high altitude flight options to support space and geophysical research: High Altitude Shuttle System (HASS) - A balloon-borne semi-autonomous glider carries

  11. Advanced Propulsion Systems for Low-Cost Access to Space

    NASA Technical Reports Server (NTRS)

    Whitlow, Woodrow, Jr.

    2004-01-01

    NASA's Space Access Goal Ensure the provision of space access and improve it by increasing safety, reliability, and affordability. (1) The launch phase continues to be the highest risk period of any space mission. (2) Launch costs remain an obstacle to the complete utilization of space for research, exploration, and commercial purposes (3) Improving the Nation's access to space through the application of new technology is one of NASA's primary roles.

  12. Ares Launch Vehicles Overview: Space Access Society

    NASA Technical Reports Server (NTRS)

    Cook, Steve

    2007-01-01

    America is returning to the Moon in preparation for the first human footprint on Mars, guided by the U.S. Vision for Space Exploration. This presentation will discuss NASA's mission, the reasons for returning to the Moon and going to Mars, and how NASA will accomplish that mission in ways that promote leadership in space and economic expansion on the new frontier. The primary goals of the Vision for Space Exploration are to finish the International Space Station, retire the Space Shuttle, and build the new spacecraft needed to return people to the Moon and go to Mars. The Vision commits NASA and the nation to an agenda of exploration that also includes robotic exploration and technology development, while building on lessons learned over 50 years of hard-won experience. NASA is building on common hardware, shared knowledge, and unique experience derived from the Apollo Saturn, Space Shuttle, and contemporary commercial launch vehicle programs. The journeys to the Moon and Mars will require a variety of vehicles, including the Ares I Crew Launch Vehicle, which transports the Orion Crew Exploration Vehicle, and the Ares V Cargo Launch Vehicle, which transports the Lunar Surface Access Module. The architecture for the lunar missions will use one launch to ferry the crew into orbit, where it will rendezvous with the Lunar Module in the Earth Departure Stage, which will then propel the combination into lunar orbit. The imperative to explore space with the combination of astronauts and robots will be the impetus for inventions such as solar power and water and waste recycling. This next chapter in NASA's history promises to write the next chapter in American history, as well. It will require this nation to provide the talent to develop tools, machines, materials, processes, technologies, and capabilities that can benefit nearly all aspects of life on Earth. Roles and responsibilities are shared between a nationwide Government and industry team. The Exploration Launch

  13. Making Space Science and Exploration Accessible

    NASA Astrophysics Data System (ADS)

    Runyon, C. J.; Guimond, K. A.; Hurd, D.; Heinrich, G.

    There are currently 28 million hard of hearing and deaf Americans, approximately 10 to 11 million blind and visually impaired people in North America, and more than 50 million Americans with disabilities, approximately half of whom are students. The majority of students with disabilities in the US are required to achieve the same academic levels as their non-impaired peers. Unfortunately, there are few specialized materials to help these exceptional students in the formal and informal settings. To assist educators in meeting their goals and engage the students, we are working with NASA product developers, scientists and education and outreach personnel in concert with teachers from exceptional classrooms to identify the types of materials they need and which mediums work best for the different student capabilities. Our goal is to make the wonders of space science and exploration accessible to all. As such, over the last four years we have been hosting interactive workshops, observing classroom settings, talking and working with professional educators, product developers, museum and science center personnel and parents to synthesize the most effective media and method for presenting earth and space science materials to audiences with exceptional needs. We will present a list of suggested best practices and example activities that can help engage and encourage a person with special needs to study the sciences, technology, engineering, and mathematics.

  14. National Report Norway: Arctic Access to Space

    NASA Astrophysics Data System (ADS)

    Brekke, P.

    2015-09-01

    Norway has long traditions as a space nation, much due to our northern latitude. Our space science activities are concentrated into relatively few areas. This concentration is necessary due to limited resources, both in funding and personnel. The main scientific activities are within Solar-terrestrial physics and cosmology. The first field has been a priority since before the space age and is still the major priority. The usage of the ground infrastructure in Northern Norway and on Svalbard is essential in studying the middle and upper atmosphere and the interaction with the Sun. This includes the utilization of sounding rockets, both small and large, and ground based installations like radars, lidars and other optical instrumentation. The planned use of Svalbard as a launch site for large stratospheric balloons may allow the cosmology community access to our northern infrastructure. The solar physics community is also heavily involved in the HINODE and IRIS missions and Norway is supporting downlink of data via the Svalbard Station for these missions. The sounding rocket program is in close collaboration with many countries like Germany, USA, France, Canada and Japan. Two scientific sounding rocket programs are currently being pursued: The ICI series (from Svalbard) and MaxiDusty (from Andoya). A series of scientific publications have recently appeared from the ECOMA campaign a few years ago. A significant improvement of today's polar and ionospheric research infrastructure in Northern Norway and Svalbard has recently been put on the ESFRI roadmap for European research infrastructure through the 5105 and EISCAT 3D initiatives. The Norwegian government has recently decided to upgrade the VLBI facilities at Svalbard.

  15. Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy.

    PubMed

    Domingos, Sérgio R; Pérez, Cristóbal; Medcraft, Chris; Pinacho, Pablo; Schnell, Melanie

    2016-06-22

    Conformational flexibility is intrinsically related to the functionality of biomolecules. Elucidation of the potential energy surface is thus a necessary step towards understanding the mechanisms for molecular recognition such as docking of small organic molecules to larger macromolecular systems. In this work, we use broadband rotational spectroscopy in a molecular jet experiment to unravel the complex conformational space of citronellal. We observe fifteen conformations in the experimental conditions of the molecular jet, the highest number of conformers reported to date for a chiral molecule of this size using microwave spectroscopy. Studies of relative stability using different carrier gases in the supersonic expansion reveal conformational relaxation pathways that strongly favour ground-state structures with globular conformations. This study provides a blueprint of the complex conformational space of an important biosynthetic precursor and gives insights on the relation between its structure and biological functionality.

  16. 29 CFR 1915.76 - Access to cargo spaces and confined spaces.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... spaces shall not be used at the same time that cargo drafts, equipment, materials, scrap or other loads... 29 Labor 7 2013-07-01 2013-07-01 false Access to cargo spaces and confined spaces. 1915.76 Section..., Ladders and Other Working Surfaces § 1915.76 Access to cargo spaces and confined spaces. The provisions...

  17. 29 CFR 1915.76 - Access to cargo spaces and confined spaces.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Access to cargo spaces and confined spaces. 1915.76 Section..., Ladders and Other Working Surfaces § 1915.76 Access to cargo spaces and confined spaces. The provisions of... this section applies to ship repairing only. (a) Cargo spaces. (1) There shall be at least one safe...

  18. Efficient conformational space exploration in ab initio protein folding simulation.

    PubMed

    Ullah, Ahammed; Ahmed, Nasif; Pappu, Subrata Dey; Shatabda, Swakkhar; Ullah, A Z M Dayem; Rahman, M Sohel

    2015-08-01

    Ab initio protein folding simulation largely depends on knowledge-based energy functions that are derived from known protein structures using statistical methods. These knowledge-based energy functions provide us with a good approximation of real protein energetics. However, these energy functions are not very informative for search algorithms and fail to distinguish the types of amino acid interactions that contribute largely to the energy function from those that do not. As a result, search algorithms frequently get trapped into the local minima. On the other hand, the hydrophobic-polar (HP) model considers hydrophobic interactions only. The simplified nature of HP energy function makes it limited only to a low-resolution model. In this paper, we present a strategy to derive a non-uniform scaled version of the real 20×20 pairwise energy function. The non-uniform scaling helps tackle the difficulty faced by a real energy function, whereas the integration of 20×20 pairwise information overcomes the limitations faced by the HP energy function. Here, we have applied a derived energy function with a genetic algorithm on discrete lattices. On a standard set of benchmark protein sequences, our approach significantly outperforms the state-of-the-art methods for similar models. Our approach has been able to explore regions of the conformational space which all the previous methods have failed to explore. Effectiveness of the derived energy function is presented by showing qualitative differences and similarities of the sampled structures to the native structures. Number of objective function evaluation in a single run of the algorithm is used as a comparison metric to demonstrate efficiency.

  19. Efficient conformational space exploration in ab initio protein folding simulation

    PubMed Central

    Ullah, Ahammed; Ahmed, Nasif; Pappu, Subrata Dey; Shatabda, Swakkhar; Ullah, A. Z. M. Dayem; Rahman, M. Sohel

    2015-01-01

    Ab initio protein folding simulation largely depends on knowledge-based energy functions that are derived from known protein structures using statistical methods. These knowledge-based energy functions provide us with a good approximation of real protein energetics. However, these energy functions are not very informative for search algorithms and fail to distinguish the types of amino acid interactions that contribute largely to the energy function from those that do not. As a result, search algorithms frequently get trapped into the local minima. On the other hand, the hydrophobic–polar (HP) model considers hydrophobic interactions only. The simplified nature of HP energy function makes it limited only to a low-resolution model. In this paper, we present a strategy to derive a non-uniform scaled version of the real 20×20 pairwise energy function. The non-uniform scaling helps tackle the difficulty faced by a real energy function, whereas the integration of 20×20 pairwise information overcomes the limitations faced by the HP energy function. Here, we have applied a derived energy function with a genetic algorithm on discrete lattices. On a standard set of benchmark protein sequences, our approach significantly outperforms the state-of-the-art methods for similar models. Our approach has been able to explore regions of the conformational space which all the previous methods have failed to explore. Effectiveness of the derived energy function is presented by showing qualitative differences and similarities of the sampled structures to the native structures. Number of objective function evaluation in a single run of the algorithm is used as a comparison metric to demonstrate efficiency. PMID:26361554

  20. Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin.

    PubMed Central

    Caves, L. S.; Evanseck, J. D.; Karplus, M.

    1998-01-01

    Multiple molecular dynamics (MD) simulations of crambin with different initial atomic velocities are used to sample conformations in the vicinity of the native structure. Individual trajectories of length up to 5 ns sample only a fraction of the conformational distribution generated by ten independent 120 ps trajectories at 300 K. The backbone atom conformational space distribution is analyzed using principal components analysis (PCA). Four different major conformational regions are found. In general, a trajectory samples only one region and few transitions between the regions are observed. Consequently, the averages of structural and dynamic properties over the ten trajectories differ significantly from those obtained from individual trajectories. The nature of the conformational sampling has important consequences for the utilization of MD simulations for a wide range of problems, such as comparisons with X-ray or NMR data. The overall average structure is significantly closer to the X-ray structure than any of the individual trajectory average structures. The high frequency (less than 10 ps) atomic fluctuations from the ten trajectories tend to be similar, but the lower frequency (100 ps) motions are different. To improve conformational sampling in molecular dynamics simulations of proteins, as in nucleic acids, multiple trajectories with different initial conditions should be used rather than a single long trajectory. PMID:9541397

  1. Exploring the conformational space of bridge-substituted dithienylcyclopentenes.

    PubMed

    Fredersdorf, Maic; Göstl, Robert; Kolmer, Andreas; Schmidts, Volker; Monecke, Peter; Hecht, Stefan; Thiele, Christina M

    2015-10-01

    Stimuli responsive compounds and materials are of high interest in synthetic chemistry and materials science, with light being the most intriguing stimulus due to the possibility to remote control the physicochemical properties of a molecule or a material. There is a constant quest to design photoswitches with improved switching efficiency and especially diarylethene-type switches promise photo cyclization quantum yields up to unity. However, only limited attention has been paid towards the influence of the solution conformation on the switching efficiency. Here, we describe a detailed NMR spectroscopic investigation on the conformational distribution of bridge-substituted dithienylcyclopentenes in solution. We could discriminate between several photoactive and photoinactive as well as two diastereomorphous conformations and show that the trends observed in the switching efficiency match the conformer populations obtained from state of the art NMR parameters in solution. PMID:26298451

  2. Predictive Sampling of Rare Conformational Events in Aqueous Solution: Designing a Generalized Orthogonal Space Tempering Method

    PubMed Central

    Lv, Chao; Li, Xubin; Wu, Dongsheng; Zheng, Lianqing; Yang, Wei

    2016-01-01

    In aqueous solution, solute conformational transitions are governed by intimate interplays of the fluctuations of solute-solute, solute-water, and water-water interactions. To promote essential fluctuations to enhance sampling, a common strategy is to construct an expanded Hamiltonian through a series of Hamiltonian perturbations, for instance on certain interactions of focus. Due to lack of active sampling of configuration response to perturbation transitions, it is challenging for common expanded Hamiltonian methods to robustly explore solvent mediated rare conformational events. The orthogonal space sampling (OSS) scheme, as exemplified by the orthogonal space random walk and orthogonal space tempering methods, provides a general framework for synchronous acceleration of slow configuration responses. To more effectively sample conformational transitions in aqueous solution, in this work, we devised a generalized orthogonal space tempering (gOST) algorithm. Specifically, in the Hamiltonian perturbation part, a solvent-accessible-surface-area-dependent term is introduced to implicitly perturb near-solute water-water fluctuations; and in the orthogonal space response part, the generalized force order parameter is generalized as a two-dimension order parameter set, in which the solute-solvent and solute-solute components are separately treated. The gOST algorithm is evaluated through a molecular dynamics simulation study on the explicitly-solvated deca-alanine (Ala10) peptide. Based on a fully automated sampling protocol, the gOST simulation enabled repetitive folding and unfolding of the solvated peptide within a single continuous trajectory and allowed for detailed constructions of Ala10 folding/unfolding free energy surfaces. The gOST result reveals that solvent cooperative fluctuations play a pivotal role in Ala10 folding/unfolding transitions. In addition, our assessment analysis suggests that because essential rare events are mainly driven by the compensating

  3. Conformational space and photochemistry of alpha-terpinene.

    PubMed

    Marzec, K M; Reva, I; Fausto, R; Malek, K; Proniewicz, L M

    2010-05-01

    Alpha-terpinene is a natural product that is isolated from a variety of plant sources and is used in the pharmaceutical and perfume industries. In the atmosphere, under the influence of sunlight, alpha-terpinene undergoes a series of photochemical transformations and contributes to the formation of the secondary organic aerosols. In the present work, alpha-terpinene has been isolated in low-temperature xenon and argon matrices, and its structure and photochemistry were characterized with the aid of FTIR spectroscopy and DFT calculations. The theory predicts three conformers resulting from the rotation of the exocyclic CH(CH(3))(2) framework, that is, Trans (T) and Gauche (G+ and G-) forms. The two Gauche conformers were estimated to be higher in energy, by ca. 1.75 kJ mol(-1), than the most stable Trans form. The signatures of all three conformers were found to be present in the experimental low-temperature matrix spectra with the T form dominating in diluted matrices. The conformational ratio was found to shift in favor of the G+/G- forms upon annealing of the matrices as well as in the neat alpha-terpinene liquid. UV-C (lambda > 235 nm) irradiation of matrix-isolated alpha-terpinene led to its isomerization into an open-ring species, which is produced in the Z configuration and in the conformations that require the smallest structural rearrangements of both the reagent and matrix.

  4. Pilot Non-Conformance to Alerting System Commands During Closely Spaced Parallel Approaches

    NASA Technical Reports Server (NTRS)

    Pritchett, Amy R.; Hansman, R. John

    1997-01-01

    Pilot non-conformance to alerting system commands has been noted in general and to a TCAS-like collision avoidance system in a previous experiment. This paper details two experiments studying collision avoidance during closely-spaced parallel approaches in instrument meteorological conditions (IMC), and specifically examining possible causal factors of, and design solutions to, pilot non-conformance.

  5. Optimization of a genetic algorithm for searching molecular conformer space

    NASA Astrophysics Data System (ADS)

    Brain, Zoe E.; Addicoat, Matthew A.

    2011-11-01

    We present two sets of tunings that are broadly applicable to conformer searches of isolated molecules using a genetic algorithm (GA). In order to find the most efficient tunings for the GA, a second GA - a meta-genetic algorithm - was used to tune the first genetic algorithm to reliably find the already known a priori correct answer with minimum computational resources. It is shown that these tunings are appropriate for a variety of molecules with different characteristics, and most importantly that the tunings are independent of the underlying model chemistry but that the tunings for rigid and relaxed surfaces differ slightly. It is shown that for the problem of molecular conformational search, the most efficient GA actually reduces to an evolutionary algorithm.

  6. Complete maps of molecular-loop conformational spaces.

    PubMed

    Porta, Josep M; Ros, Lluís; Thomas, Federico; Corcho, Francesc; Cantó, Josep; Pérez, Juan Jesús

    2007-10-01

    This paper presents a numerical method to compute all possible conformations of distance-constrained molecular loops, i.e., loops where some interatomic distances are held fixed, while others can vary. The method is general (it can be applied to single or multiple intermingled loops of arbitrary topology) and complete (it isolates all solutions, even if they form positive-dimensional sets). Generality is achieved by reducing the problem to finding all embeddings of a set of points constrained by pairwise distances, which can be formulated as computing the roots of a system of Cayley-Menger determinants. Completeness is achieved by expressing these determinants in Bernstein form and using a numerical algorithm that exploits such form to bound all root locations at any desired precision. The method is readily parallelizable, and the current implementation can be run on single- or multiprocessor machines. Experiments are included that show the method's performance on rigid loops, mobile loops, and multiloop molecules. In all cases, complete maps including all possible conformations are obtained, thus allowing an exhaustive analysis and visualization of all pseudo-rotation paths between different conformations satisfying loop closure.

  7. Acoustic omni meta-atom for decoupled access to all octants of a wave parameter space

    NASA Astrophysics Data System (ADS)

    Koo, Sukmo; Cho, Choonlae; Jeong, Jun-Ho; Park, Namkyoo

    2016-09-01

    The common behaviour of a wave is determined by wave parameters of its medium, which are generally associated with the characteristic oscillations of its corresponding elementary particles. In the context of metamaterials, the decoupled excitation of these fundamental oscillations would provide an ideal platform for top-down and reconfigurable access to the entire constitutive parameter space; however, this has remained as a conceivable problem that must be accomplished, after being pointed out by Pendry. Here by focusing on acoustic metamaterials, we achieve the decoupling of density ρ, modulus B-1 and bianisotropy ξ, by separating the paths of particle momentum to conform to the characteristic oscillations of each macroscopic wave parameter. Independent access to all octants of wave parameter space (ρ, B-1, ξ)=(+/-,+/-,+/-) is thus realized using a single platform that we call an omni meta-atom; as a building block that achieves top-down access to the target properties of metamaterials.

  8. Acoustic omni meta-atom for decoupled access to all octants of a wave parameter space

    PubMed Central

    Koo, Sukmo; Cho, Choonlae; Jeong, Jun-ho; Park, Namkyoo

    2016-01-01

    The common behaviour of a wave is determined by wave parameters of its medium, which are generally associated with the characteristic oscillations of its corresponding elementary particles. In the context of metamaterials, the decoupled excitation of these fundamental oscillations would provide an ideal platform for top–down and reconfigurable access to the entire constitutive parameter space; however, this has remained as a conceivable problem that must be accomplished, after being pointed out by Pendry. Here by focusing on acoustic metamaterials, we achieve the decoupling of density ρ, modulus B−1 and bianisotropy ξ, by separating the paths of particle momentum to conform to the characteristic oscillations of each macroscopic wave parameter. Independent access to all octants of wave parameter space (ρ, B−1, ξ)=(+/−,+/−,+/−) is thus realized using a single platform that we call an omni meta-atom; as a building block that achieves top–down access to the target properties of metamaterials. PMID:27687689

  9. Transforming Community Access to Space Science Models

    NASA Technical Reports Server (NTRS)

    MacNeice, Peter; Heese, Michael; Kunetsova, Maria; Maddox, Marlo; Rastaetter, Lutz; Berrios, David; Pulkkinen, Antti

    2012-01-01

    Researching and forecasting the ever changing space environment (often referred to as space weather) and its influence on humans and their activities are model-intensive disciplines. This is true because the physical processes involved are complex, but, in contrast to terrestrial weather, the supporting observations are typically sparse. Models play a vital role in establishing a physically meaningful context for interpreting limited observations, testing theory, and producing both nowcasts and forecasts. For example, with accurate forecasting of hazardous space weather conditions, spacecraft operators can place sensitive systems in safe modes, and power utilities can protect critical network components from damage caused by large currents induced in transmission lines by geomagnetic storms.

  10. Beamforming of Joint Polarization-Space Matched Filtering for Conformal Array

    PubMed Central

    Liu, Lutao; Jiang, Yilin; Tian, Zuoxi

    2013-01-01

    Due to the polarization mismatch of the antenna, the received signal suffers from energy loss. The conventional beamforming algorithms could not be applied to the conformal array because of the varying curvature. In order to overcome the energy loss of the received signal, a novel joint polarization-space matched filtering algorithm for cylindrical conformal array is proposed. First, the snapshot data model of the conformal polarization sensitive array is analyzed. Second, the analytical expression of polarization sensitive array beamforming is derived. Linearly constrained minimum variance (LCMV) beamforming technique is facilitated for the cylindrical conformal array. Third, the idea of joint polarization-space matched filtering is presented, and the principle of joint polarization-space matched filtering is discussed in detail. Theoretical analysis and computer simulation results verify that the conformal polarization sensitive array is more robust than the ordinary conformal array. The proposed algorithm can improve the performance when signal and interference are too close. It can enhance the signal-to-noise ratio (SNR) by adjusting the polarization of the elements of the conformal array, which matches the polarization of the incident signal. PMID:24501582

  11. Beamforming of joint polarization-space matched filtering for conformal array.

    PubMed

    Liu, Lutao; Jiang, Yilin; Wan, Liangtian; Tian, Zuoxi

    2013-01-01

    Due to the polarization mismatch of the antenna, the received signal suffers from energy loss. The conventional beamforming algorithms could not be applied to the conformal array because of the varying curvature. In order to overcome the energy loss of the received signal, a novel joint polarization-space matched filtering algorithm for cylindrical conformal array is proposed. First, the snapshot data model of the conformal polarization sensitive array is analyzed. Second, the analytical expression of polarization sensitive array beamforming is derived. Linearly constrained minimum variance (LCMV) beamforming technique is facilitated for the cylindrical conformal array. Third, the idea of joint polarization-space matched filtering is presented, and the principle of joint polarization-space matched filtering is discussed in detail. Theoretical analysis and computer simulation results verify that the conformal polarization sensitive array is more robust than the ordinary conformal array. The proposed algorithm can improve the performance when signal and interference are too close. It can enhance the signal-to-noise ratio (SNR) by adjusting the polarization of the elements of the conformal array, which matches the polarization of the incident signal.

  12. Euclidean sections of protein conformation space and their implications in dimensionality reduction.

    PubMed

    Duan, Mojie; Li, Minghai; Han, Li; Huo, Shuanghong

    2014-10-01

    Dimensionality reduction is widely used in searching for the intrinsic reaction coordinates for protein conformational changes. We find the dimensionality-reduction methods using the pairwise root-mean-square deviation (RMSD) as the local distance metric face a challenge. We use Isomap as an example to illustrate the problem. We believe that there is an implied assumption for the dimensionality-reduction approaches that aim to preserve the geometric relations between the objects: both the original space and the reduced space have the same kind of geometry, such as Euclidean geometry vs. Euclidean geometry or spherical geometry vs. spherical geometry. When the protein free energy landscape is mapped onto a 2D plane or 3D space, the reduced space is Euclidean, thus the original space should also be Euclidean. For a protein with N atoms, its conformation space is a subset of the 3N-dimensional Euclidean space R(3N). We formally define the protein conformation space as the quotient space of R(3N) by the equivalence relation of rigid motions. Whether the quotient space is Euclidean or not depends on how it is parameterized. When the pairwise RMSD is employed as the local distance metric, implicit representations are used for the protein conformation space, leading to no direct correspondence to a Euclidean set. We have demonstrated that an explicit Euclidean-based representation of protein conformation space and the local distance metric associated to it improve the quality of dimensionality reduction in the tetra-peptide and β-hairpin systems.

  13. 46 CFR 111.01-7 - Accessibility and spacing.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) ELECTRICAL ENGINEERING ELECTRIC SYSTEMS-GENERAL REQUIREMENTS General § 111.01-7 Accessibility and spacing. (a) The design and arrangement of electric apparatus must afford accessibility to each part as needed to facilitate proper...

  14. 46 CFR 111.01-7 - Accessibility and spacing.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) ELECTRICAL ENGINEERING ELECTRIC SYSTEMS-GENERAL REQUIREMENTS General § 111.01-7 Accessibility and spacing. (a) The design and arrangement of electric apparatus must afford accessibility to each part as needed to facilitate proper...

  15. 46 CFR 111.01-7 - Accessibility and spacing.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) ELECTRICAL ENGINEERING ELECTRIC SYSTEMS-GENERAL REQUIREMENTS General § 111.01-7 Accessibility and spacing. (a) The design and arrangement of electric apparatus must afford accessibility to each part as needed to facilitate proper...

  16. 46 CFR 111.01-7 - Accessibility and spacing.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) ELECTRICAL ENGINEERING ELECTRIC SYSTEMS-GENERAL REQUIREMENTS General § 111.01-7 Accessibility and spacing. (a) The design and arrangement of electric apparatus must afford accessibility to each part as needed to facilitate proper...

  17. 46 CFR 111.01-7 - Accessibility and spacing.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) ELECTRICAL ENGINEERING ELECTRIC SYSTEMS-GENERAL REQUIREMENTS General § 111.01-7 Accessibility and spacing. (a) The design and arrangement of electric apparatus must afford accessibility to each part as needed to facilitate proper...

  18. Develop and test a solvent accessible surface area-based model in conformational entropy calculations.

    PubMed

    Wang, Junmei; Hou, Tingjun

    2012-05-25

    It is of great interest in modern drug design to accurately calculate the free energies of protein-ligand or nucleic acid-ligand binding. MM-PBSA (molecular mechanics Poisson-Boltzmann surface area) and MM-GBSA (molecular mechanics generalized Born surface area) have gained popularity in this field. For both methods, the conformational entropy, which is usually calculated through normal-mode analysis (NMA), is needed to calculate the absolute binding free energies. Unfortunately, NMA is computationally demanding and becomes a bottleneck of the MM-PB/GBSA-NMA methods. In this work, we have developed a fast approach to estimate the conformational entropy based upon solvent accessible surface area calculations. In our approach, the conformational entropy of a molecule, S, can be obtained by summing up the contributions of all atoms, no matter they are buried or exposed. Each atom has two types of surface areas, solvent accessible surface area (SAS) and buried SAS (BSAS). The two types of surface areas are weighted to estimate the contribution of an atom to S. Atoms having the same atom type share the same weight and a general parameter k is applied to balance the contributions of the two types of surface areas. This entropy model was parametrized using a large set of small molecules for which their conformational entropies were calculated at the B3LYP/6-31G* level taking the solvent effect into account. The weighted solvent accessible surface area (WSAS) model was extensively evaluated in three tests. For convenience, TS values, the product of temperature T and conformational entropy S, were calculated in those tests. T was always set to 298.15 K through the text. First of all, good correlations were achieved between WSAS TS and NMA TS for 44 protein or nucleic acid systems sampled with molecular dynamics simulations (10 snapshots were collected for postentropy calculations): the mean correlation coefficient squares (R²) was 0.56. As to the 20 complexes, the TS

  19. The National Aerospace Initiative (NAI): Technologies For Responsive Space Access

    NASA Technical Reports Server (NTRS)

    Culbertson, Andrew; Bhat, Biliyar N.

    2003-01-01

    The Secretary of Defense has set new goals for the Department of Defense (DOD) to transform our nation's military forces. The Director for Defense Research and Engineering (DDR&E) has responded to this challenge by defining and sponsoring a transformational initiative in Science and Technology (S&T) - the National Aerospace Initiative (NAI) - which will have a fundamental impact on our nation's military capabilities and on the aerospace industry in general. The NAI is planned as a joint effort among the tri-services, DOD agencies and National Aeronautics and Space Administration (NASA). It is comprised of three major focus areas or pillars: 1) High Speed Hypersonics (HSH), 2) Space Access (SA), and 3) Space Technology (ST). This paper addresses the Space Access pillar. The NAI-SA team has employed a unique approach to identifying critical technologies and demonstrations for satisfying both military and civilian space access capabilities needed in the future. For planning and implementation purposes the NAI-SA is divided into five technology subsystem areas: Airframe, Propulsion, Flight Subsystems, Operations and Payloads. Detailed technology roadmaps were developed under each subsystem area using a time-phased, goal oriented approach that provides critical space access capabilities in a timely manner and involves subsystem ground and flight demonstrations. This S&T plan addresses near-term (2009), mid-term (2016), and long-term (2025) goals and objectives for space access. In addition, system engineering and integration approach was used to make sure that the plan addresses the requirements of the end users. This paper describes in some detail the technologies in NAI-Space Access pillar. Some areas of emphasis are: high temperature materials, thermal protection systems, long life, lightweight, highly efficient airframes, metallic and composite cryotanks, advanced liquid rocket engines, integrated vehicle health monitoring and management, highly operable systems and

  20. Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches.

    PubMed

    Jahn, Andreas; Hinselmann, Georg; Fechner, Nikolas; Henneges, Carsten; Zell, Andreas

    2010-05-17

    We present a new probabilistic encoding of the conformational space of a molecule that allows for the integration into common similarity calculations. The method uses distance profiles of flexible atom-pairs and computes generative models that describe the distance distribution in the conformational space. The generative models permit the use of probabilistic kernel functions and, therefore, our approach can be used to extend existing 3D molecular kernel functions, as applied in support vector machines, to build QSAR models. The resulting kernels are valid 4D kernel functions and reduce the dependency of the model quality on suitable conformations of the molecules. We showed in several experiments the robust performance of the 4D kernel function, which was extended by our approach, in comparison to the original 3D-based kernel function. The new method compares the conformational space of two molecules within one kernel evaluation. Hence, the number of kernel evaluations is significantly reduced in comparison to common kernel-based conformational space averaging techniques. Additionally, the performance gain of the extended model correlates with the flexibility of the data set and enables an a priori estimation of the model improvement.

  1. On the measure of conformal difference between Euclidean and Lobachevsky spaces

    NASA Astrophysics Data System (ADS)

    Zorich, Vladimir A.

    2011-12-01

    Euclidean space R^n and Lobachevsky space H^n are known to be not equivalent either conformally or quasiconformally. In this work we give exact asymptotics of the critical order of growth at infinity for the quasiconformality coefficient of a diffeomorphism f\\colon R^n\\to H^n for which such a mapping f is possible. We also consider the general case of immersions f\\colon M^n\\to N^n of conformally parabolic Riemannian manifolds. Bibliography: 17 titles.

  2. Conformally invariant spin-3/2 field equation in de Sitter space-time

    NASA Astrophysics Data System (ADS)

    Fatahi, N.

    2015-09-01

    In the previous paper (Behroozi et al., Phys Rev D 74:124014, 2006; Dehghani et al., Phys Rev D 77:064028, 2008), conformal invariance for massless tensor fields (scalar, vector and spin-2 fields) was studied and the solutions of their wave equations and two-point functions were obtained. In the present paper, conformally invariant wave equation for massless spinor field in de Sitter space-time has been obtained. For this propose, we use Dirac's six-cone formalism. The solutions of massless spin-1/2 and -3/2 equations, in the ambient space notation, have been calculated.

  3. ClustENM: ENM-Based Sampling of Essential Conformational Space at Full Atomic Resolution

    PubMed Central

    Kurkcuoglu, Zeynep; Bahar, Ivet; Doruker, Pemra

    2016-01-01

    Accurate sampling of conformational space and, in particular, the transitions between functional substates has been a challenge in molecular dynamic (MD) simulations of large biomolecular systems. We developed an Elastic Network Model (ENM)-based computational method, ClustENM, for sampling large conformational changes of biomolecules with various sizes and oligomerization states. ClustENM is an iterative method that combines ENM with energy minimization and clustering steps. It is an unbiased technique, which requires only an initial structure as input, and no information about the target conformation. To test the performance of ClustENM, we applied it to six biomolecular systems: adenylate kinase (AK), calmodulin, p38 MAP kinase, HIV-1 reverse transcriptase (RT), triosephosphate isomerase (TIM), and the 70S ribosomal complex. The generated ensembles of conformers determined at atomic resolution show good agreement with experimental data (979 structures resolved by X-ray and/or NMR) and encompass the subspaces covered in independent MD simulations for TIM, p38, and RT. ClustENM emerges as a computationally efficient tool for characterizing the conformational space of large systems at atomic detail, in addition to generating a representative ensemble of conformers that can be advantageously used in simulating substrate/ligand-binding events. PMID:27494296

  4. Real-space visualization of conformation-independent oligothiophene electronic structure

    NASA Astrophysics Data System (ADS)

    Taber, Benjamen N.; Kislitsyn, Dmitry A.; Gervasi, Christian F.; Mills, Jon M.; Rosenfield, Ariel E.; Zhang, Lei; Mannsfeld, Stefan C. B.; Prell, James S.; Briseno, Alejandro L.; Nazin, George V.

    2016-05-01

    We present scanning tunneling microscopy and spectroscopy (STM/STS) investigations of the electronic structures of different alkyl-substituted oligothiophenes on the Au(111) surface. STM imaging showed that on Au(111), oligothiophenes adopted distinct straight and bent conformations. By combining STS maps with STM images, we visualize, in real space, particle-in-a-box-like oligothiophene molecular orbitals. We demonstrate that different planar conformers with significant geometrical distortions of oligothiophene backbones surprisingly exhibit very similar electronic structures, indicating a low degree of conformation-induced electronic disorder. The agreement of these results with gas-phase density functional theory calculations implies that the oligothiophene interaction with the Au(111) surface is generally insensitive to molecular conformation.

  5. Conformation analysis of a surface loop that controls active site access in the GH11 xylanase A from Bacillus subtilis.

    PubMed

    Vieira, Davi Serradella; Ward, Richard John

    2012-04-01

    Xylanases (EC 3.2.1.8 endo-1,4-glycosyl hydrolase) catalyze the hydrolysis of xylan, an abundant hemicellulose of plant cell walls. Access to the catalytic site of GH11 xylanases is regulated by movement of a short β-hairpin, the so-called thumb region, which can adopt open or closed conformations. A crystallographic study has shown that the D11F/R122D mutant of the GH11 xylanase A from Bacillus subtilis (BsXA) displays a stable "open" conformation, and here we report a molecular dynamics simulation study comparing this mutant with the native enzyme over a range of temperatures. The mutant open conformation was stable at 300 and 328 K, however it showed a transition to the closed state at 338 K. Analysis of dihedral angles identified thumb region residues Y113 and T123 as key hinge points which determine the open-closed transition at 338 K. Although the D11F/R122D mutations result in a reduction in local inter-intramolecular hydrogen bonding, the global energies of the open and closed conformations in the native enzyme are equivalent, suggesting that the two conformations are equally accessible. These results indicate that the thumb region shows a broader degree of energetically permissible conformations which regulate the access to the active site region. The R122D mutation contributes to the stability of the open conformation, but is not essential for thumb dynamics, i.e., the wild type enzyme can also adapt to the open conformation.

  6. GOES-R Space Weather Data: Ensuring Access and Usability

    NASA Astrophysics Data System (ADS)

    Tilton, M.; Rowland, W. F.; Wilkinson, D. C.; Denig, W. F.; Darnel, J.; Kress, B. T.; Loto'aniu, P. T. M.; Machol, J. L.; Redmon, R. J.; Rodriguez, J. V.

    2015-12-01

    The upcoming Geostationary Operational Environmental Satellite series, GOES-R, will provide critical space weather data. These data are used to prevent communication outages, mitigate the damage solar weather causes to satellites and power grids, and reduce astronaut radiation exposure. The space weather instruments aboard GOES-R will deliver an operational dataset of unprecedented breadth. However, NOAA's National Centers for Environmental Information (NCEI)—the organization that provides access to archived GOES-R data—has faced several challenges in delivering this information to customers in usable form. For instance, the GOES-R ground system was contracted to develop higher-level products for terrestrial data but not space weather data. Variations in GOES-R data file formats and archive locations have also threatened to create an inconsistent user experience. This presentation will examine the ways in which NCEI is making GOES-R space weather data more accessible and actionable for customers. These efforts include NCEI's development of high-level data products to meet the requirements of NOAA's Space Weather Prediction Center—a role NCEI has not previously played. In addition, NCEI is creating a demonstration system to show how these products can be produced in real-time. The organization is also examining customer usage of the GOES-NOP data access system and using these access patterns to drive decisions about the GOES-R user interface.

  7. Pilot Non-Conformance to Alerting System Commands During Closely Spaced Parallel Approaches

    NASA Technical Reports Server (NTRS)

    Pritchett, Amy Ruth; Hansman, R. John; Corker, Kevin (Technical Monitor)

    1997-01-01

    Cockpit alerting systems monitor potentially hazardous situations, both inside and outside the aircraft. When a hazard is projected to occur, the alerting system displays alerts and/or command decisions to the pilot. However, pilots have been observed to not conform to alerting system commands by delaying their response or by not following the automatic commands exactly. This non-conformance to the automatic alerting system can reduce its benefit. Therefore, a need exists to understand the causes and effects of pilot non-conformance in order to develop automatic alerting systems whose commands the pilots are more likely to follow. These considerations were examined through flight simulator evaluations of the collision avoidance task during closely spaced parallel approaches. This task provided a useful case-study because the effects of non-conformance can be significant, given the time-critical nature of the task. A preliminary evaluation of alerting systems identified non-conformance in over 40% of the cases and a corresponding drop in collision avoidance performance. A follow-on experiment found subjects' alerting and maneuver selection criteria were consistent with different strategies than those used by automatic systems, indicating the pilot may potentially disagree with the alerting system if the pilot attempts to verify automatic alerts and commanded avoidance maneuvers. A final experiment found supporting automatic alerts with the explicit display of its underlying criteria resulted in more consistent subject reactions. In light of these experimental results, a general discussion of pilot non-conformance is provided. Contributing factors in pilot non-conformance include a lack of confidence in the automatic system and mismatches between the alerting system's commands and the pilots' own decisions based on the information available to them. The effects of non-conformance on system performance are discussed. Possible methods of reconciling mismatches are

  8. Coset spaces and Einstein manifolds with l-conformal Galilei symmetry

    NASA Astrophysics Data System (ADS)

    Chernyavsky, Dmitry

    2016-10-01

    The group theoretic construction is applied to construct a novel dynamical realization of the l-conformal Galilei group in terms of geodesic equations on the coset space. A peculiar feature of the geodesics is that all their integrals of motion, including the accelerations, are functionally independent. The analysis in the recent work [Chernyavsky and Galajinsky (2016) [35

  9. Access from Space: A New Perspective on NASA's Space Transportation Technology Requirements and Opportunities

    NASA Technical Reports Server (NTRS)

    Rasky, Daniel J.

    2004-01-01

    The need for robust and reliable access from space is clearly demonstrated by the recent loss of the Space Shuttle Columbia; as well as the NASA s goals to get the Shuttle re-flying and extend its life, build new vehicles for space access, produce successful robotic landers and s a q k retrr? llisrions, and maximize the science content of ambitious outer planets missions that contain nuclear reactors which must be safe for re-entry after possible launch aborts. The technology lynch pin of access from space is hypersonic entry systems such the thermal protection system, along with navigation, guidance and control (NG&C). But it also extends to descent and landing systems such as parachutes, airbags and their control systems. Current space access technology maturation programs such as NASA s Next Generation Launch Technology (NGLT) program or the In-Space Propulsion (ISP) program focus on maturing laboratory demonstrated technologies for potential adoption by specific mission applications. A key requirement for these programs success is a suitable queue of innovative technologies and advanced concepts to mature, including mission concepts enabled by innovative, cross cutting technology advancements. When considering space access, propulsion often dominates the capability requirements, as well as the attention and resources. From the perspective of access from space some new cross cutting technology drivers come into view, along with some new capability opportunities. These include new miniature vehicles (micro, nano, and picosats), advanced automated systems (providing autonomous on-orbit inspection or landing site selection), and transformable aeroshells (to maximize capabilities and minimize weight). This paper provides an assessment of the technology drivers needed to meet future access from space mission requirements, along with the mission capabilities that can be envisioned from innovative, cross cutting access from space technology developments.

  10. Access to Space: Providing a Ride to Your Future

    NASA Technical Reports Server (NTRS)

    Cutlip, William E.

    1999-01-01

    This viewgraph presentation gives an overview of the Access to Space website, including information on the personnel structure, mission statement, process flow, project formulation, project support, web-based tools and database, web site contents, implementation plan, user registration, mission data input, capabilities of the website, and accomplishments thus far.

  11. Ka-band geostationary satellite spacing requirements and access schemes

    NASA Technical Reports Server (NTRS)

    Caron, Mario; Hindson, Daniel J.

    1995-01-01

    Geostationary satellite systems for wideband personal communications applications have been proposed. This paper looks at the geostationary satellite spacing requirement to meet the ITU-R sharing criterion for FDMA and CDMA access schemes. CDMA capacity equation is first developed. Then the basis for the interference analysis between two systems with an overlapping coverage area is developed for the cases of identical and different access schemes and for bandwidth and power limited systems. An example of an interference analysis between two systems is fully carried out. The paper also points out the inherent problems when comparing systems with different access schemes. It is found that under certain scenarios, CDMA can allow a closer spacing between satellites.

  12. Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations

    PubMed Central

    Wang, Junmei; Hou, Tingjun

    2012-01-01

    It is of great interest in modern drug design to accurately calculate the free energies of protein-ligand or nucleic acid-ligand binding. MM-PBSA (Molecular Mechanics-Poisson Boltzmann Surface Area) and MM-GBSA (Molecular Mechanics-Generalized Born Surface Area) have gained popularity in this field. For both methods, the conformational entropy, which is usually calculated through normal mode analysis (NMA), is needed to calculate the absolute binding free energies. Unfortunately, NMA is computationally demanding and becomes a bottleneck of the MM-PB/GBSA-NMA methods. In this work, we have developed a fast approach to estimate the conformational entropy based upon solvent accessible surface area calculations. In our approach, the conformational entropy of a molecule, S, can be obtained by summing up the contributions of all atoms, no matter they are buried or exposed. Each atom has two types of surface areas, solvent accessible surface area (SAS) and buried SAS (BSAS). The two types of surface areas are weighted to estimate the contribution of an atom to S. Atoms having the same atom type share the same weight and a general parameter k is applied to balance the contributions of the two types of surface areas. This entropy model was parameterized using a large set of small molecules for which their conformational entropies were calculated at the B3LYP/6-31G* level taking the solvent effect into account. The weighted solvent accessible surface area (WSAS) model was extensively evaluated in three tests. For the convenience, TS, the product of temperature T and conformational entropy S, were calculated in those tests. T was always set to 298.15 K through the text. First of all, good correlations were achieved between WSAS TS and NMA TS for 44 protein or nucleic acid systems sampled with molecular dynamics simulations (10 snapshots were collected for post-entropy calculations): the mean correlation coefficient squares (R2) was 0.56. As to the 20 complexes, the TS changes

  13. Advanced Cosmic-Ray Composition Experiment for Space Station (ACCESS): ACCESS Accommodation Study Report

    NASA Technical Reports Server (NTRS)

    Wilson, Thomas L. (Editor); Wefel, John P. (Editor)

    1999-01-01

    In 1994 NASA Administrator selected the first high-energy particle physics experiment for the Space Station, the Alpha Magnetic Spectrometer (AMS), to place a magnetic spectrometer in Earth orbit and search for cosmic antimatter. A natural consequence of this decision was that NASA would begin to explore cost-effective ways through which the design and implementation of AMS might benefit other promising payload experiments. The first such experiment to come forward was Advanced Cosmic-Ray Composition Experiment for Space Station (ACCESS) in 1996. It was proposed as a new mission concept in space physics to attach a cosmic-ray experiment of weight, volume, and geometry similar to the AMS on the International Space Station (ISS), and replace the latter as its successor when the AMS is returned to Earth. This was to be an extension of NASA's suborbital balloon program, with balloon payloads serving as the precursor flights and heritage for ACCESS. The balloon programs have always been a cost-effective NASA resource since the particle physics instrumentation for balloon and space applications are directly related. The next step was to expand the process, pooling together expertise from various NASA centers and universities while opening up definition of the ACCESS science goals to the international community through the standard practice of peer review. This process is still ongoing, and the accommodation study presented here will discuss the baseline definition of ACCESS as we understand it today.

  14. Advanced Cosmic-Ray Composition Experiment for Space Station (ACCESS): ACCESS Accommodation Study Report

    NASA Astrophysics Data System (ADS)

    Wilson, Thomas L.; Wefel, John P.

    1999-06-01

    In 1994 NASA Administrator selected the first high-energy particle physics experiment for the Space Station, the Alpha Magnetic Spectrometer (AMS), to place a magnetic spectrometer in Earth orbit and search for cosmic antimatter. A natural consequence of this decision was that NASA would begin to explore cost-effective ways through which the design and implementation of AMS might benefit other promising payload experiments. The first such experiment to come forward was Advanced Cosmic-Ray Composition Experiment for Space Station (ACCESS) in 1996. It was proposed as a new mission concept in space physics to attach a cosmic-ray experiment of weight, volume, and geometry similar to the AMS on the International Space Station (ISS), and replace the latter as its successor when the AMS is returned to Earth. This was to be an extension of NASA's suborbital balloon program, with balloon payloads serving as the precursor flights and heritage for ACCESS. The balloon programs have always been a cost-effective NASA resource since the particle physics instrumentation for balloon and space applications are directly related. The next step was to expand the process, pooling together expertise from various NASA centers and universities while opening up definition of the ACCESS science goals to the international community through the standard practice of peer review. This process is still ongoing, and the accommodation study presented here will discuss the baseline definition of ACCESS as we understand it today.

  15. Integrated Ground Operations Demonstration for Responsive Space Access

    NASA Technical Reports Server (NTRS)

    Johnson, Robert G.; Notardonato, William U.

    2014-01-01

    The NASA Advanced Exploration Systems (AES) program has a three year project to develop and demonstrate technologies to fundamentally change the way ground servicing activities support future access to space architectures. The AES Integrated Ground Operation Demonstration Units (IGODU) project has created two test beds for investigating and maturing two key elements of spaceport processing activities. The first is the GODU Integrated Refrigeration and Storage test bed that is demonstrating zero-loss storage of liquid hydrogen propellants and studying the storage and transfer of densified propellants. The second activity is the GODU Autonomous Control test bed that is implementing health management technologies and autonomous control capability of the propellant loading process to reduce the standing army of experts historically needed to ensure safe propellant loading operations. This presentation will give an overview of the activities at the Kennedy Space Center on these two test beds and its potential impact on future access to space programs.

  16. Fluorine Substitution in Neurotransmitters: Microwave Spectroscopy and Modelling of the Conformational Space and Non Bonding Interactions

    NASA Astrophysics Data System (ADS)

    Melandri, S.; Maris, A.; Merloni, A.

    2011-06-01

    Fluorine substitution in molecules is a common practice in bio-organic chemistry in order to modulate physicochemical properties and biological activity of molecules and an increasing number of drugs on the market contain fluorine, the presence of which is often of major importance to modify pharmacokinetics properties and molecular activity. The rationale for such a strategy is that fluorine is generally a stronger electron acceptor than the other halogen atoms and its size is intermediate between that of hydrogen and oxygen. We have studied two fluorinated analogs of 2-phenylethylamine (PEA), the prototype molecule for adrenergic neurotransmitters, namely: 4-Fluoro (4FPEA) and 2-Fluoro-2-phenylethylamine (2FPEA) by Molecular Beam Fourier Transform Microwave Spectroscopy in the frequency range 6-18 GHz and ab initio calculations at the MP2/6311++G** level. The aim is to obtain information on the spatial arrangement of the ethylamine side chain and the effects of fluorination on the energy landscape. The conformational space is dominated by low energy gauche conformations stabilized by weak interactions between the aminic hydrogens and the electron cloud of the benzene ring and anti conformations higher in energy. In 2FPEA the presence of the fluorine atom almost duplicate the number of possible conformation with respect to 4FPEA. We observed two conformers of 4FPEA and five conformers of 2FPEA which have been classified with the guide provided by accurate ab initio calculations. The identification of the conformational species was helped by the analysis of the quadrupole hyperfine pattern which is greatly influenced by the orientation of the amino group and acts as a fingerprint for each conformation. The orientation of the dipole moment within the principal axis frame and the order of stability of the different conformations are other independent pieces of evidence for the unambiguous assignment and identification of the conformers. The order of stability was

  17. Lectins as probes for assessing the accessibility of N-linked glycans in relation to the conformational changes of fibronectin.

    PubMed

    Agniel, Rémy; Vendrely, Charlotte; Poulouin, Laurent; Bascetin, Rümeyza; Benachour, Hamanou; Gallet, Olivier; Leroy-Dudal, Johanne

    2015-12-01

    Fibronectin, a ≈ 450-kDa protein with 4-9% (w/w) glycosylation, is a key component of extracellular matrices and has a high conformational lability regarding its functions. However, the accessibility and the role of glycosylated moieties associated with the conformational changes of fibronectin are poorly understood. Using lectins as probes, we developed an approach comprising dynamic light scattering, turbidimetry measurements, and isothermal titration calorimetry to assess the accessibility of glycosylated moieties of fibronectin undergoing thermal-induced conformational changes. Among a set of 14 lectins, fibronectin mainly reacted with mannose-binding lectins, specifically concanavalin A. When temperature was raised from 25 to 50 °C, fibronectin underwent progressive unfolding, but the conformation of concanavalin A was unaffected. Dynamic light scattering, turbidimetry measurements, and isothermal titration calorimetry showed increased concanavalin A binding to fibronectin during progressive thermal-induced unfolding of the protein core. Such data suggest that mannosylated residues are progressively exposed as fibronectin unfolds. Because oligosaccharide moieties can be differently exposed to cells, and the cell's responses could be modified physiologically or pathologically, modulation of fibronectin sugar chains could be relevant to its biological functions. Thus, lectins might be useful tools to probe the glycosylation accessibility accompanying changes in protein core folding, for which a better understanding would be of value for biological and biomedical research. PMID:26148749

  18. Conformational space annealing scheme in the inverse design of functional materials

    NASA Astrophysics Data System (ADS)

    Kim, Sunghyun; Lee, In-Ho; Lee, Jooyoung; Oh, Young Jun; Chang, Kee Joo

    2015-03-01

    Recently, the so-called inverse method has drawn much attention, in which specific electronic properties are initially assigned and target materials are subsequently searched. In this work, we develop a new scheme for the inverse design of functional materials, in which the conformational space annealing (CSA) algorithm for global optimization is combined with first-principles density functional calculations. To implement the CSA, we need a series of ingredients, (i) an objective function to minimize, (ii) a 'distance' measure between two conformations, (iii) a local enthalpy minimizer of a given conformation, (iv) ways to combine two parent conformations to generate a daughter one, (v) a special conformation update scheme, and (vi) an annealing method in the 'distance' parameter axis. We show the results of applications for searching for Si crystals with direct band gaps and the lowest-enthalpy phase of boron at a finite pressure and discuss the efficiency of the present scheme. This work is supported by the National Research Foundation of Korea (NRF) under Grant No. NRF-2005-0093845 and by Samsung Science and Technology Foundation under Grant No. SSTFBA1401-08.

  19. 29 CFR 1915.76 - Access to cargo spaces and confined spaces.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 7 2011-07-01 2011-07-01 false Access to cargo spaces and confined spaces. 1915.76 Section 1915.76 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) OCCUPATIONAL SAFETY AND HEALTH STANDARDS FOR SHIPYARD EMPLOYMENT...

  20. 29 CFR 1915.76 - Access to cargo spaces and confined spaces.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 7 2012-07-01 2012-07-01 false Access to cargo spaces and confined spaces. 1915.76 Section 1915.76 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) OCCUPATIONAL SAFETY AND HEALTH STANDARDS FOR SHIPYARD EMPLOYMENT...

  1. 29 CFR 1915.76 - Access to cargo spaces and confined spaces.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 7 2014-07-01 2014-07-01 false Access to cargo spaces and confined spaces. 1915.76 Section 1915.76 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) OCCUPATIONAL SAFETY AND HEALTH STANDARDS FOR SHIPYARD EMPLOYMENT...

  2. EASE/ACCESS ground processing at Kennedy Space Center

    NASA Technical Reports Server (NTRS)

    Moates, Deborah J.; Villamil, Ana M.

    1987-01-01

    The Kennedy Space Center (KSC) Payload Management and Operations Directorate is responsible for the processing of Space Shuttle payloads. The KSC responsibilities begin prior to hardware arrival at the launch site and extend until the experiments are returned to the investigators after the flight. The KSC involvement with the integration and checkout of payloads begins with participation in experiment, Mission Peculiar Equipment (MPE), and integrated payload design reviews. This involvement also includes participation in assembly and testing of flight hardware at the appropriate design center, university, or private corporation. Once the hardware arrives at the launch site, KSC personnel install the experiments and MPE onto a carrier in the Operations and Checkout (O & C) building. Following integration, the payload is functionally tested and then installed into the orbiter. After the mission, the payload is removed from the orbiter, deintegrated in the O & C building, and the experiments are turned over to the mission manager. One of the many payloads process at KSC consisted of two space construction experiments: the Experimental Assembly of Structures in Extravehicular Activity (EASE) and the Assembly Concept for Construction of Erectable Space Structures (ACCESS). The details of EASE/ACCESS integration, testing, and deintegration are addressed and how this mission can serve as a guide for future space construction payloads is discussed.

  3. Entanglement entropy of black holes and anti-de Sitter space/conformal-field-theory correspondence.

    PubMed

    Solodukhin, Sergey N

    2006-11-17

    A recent proposal by Ryu and Takayanagi for a holographic interpretation of entanglement entropy in conformal field theories dual to supergravity on anti-de Sitter space is generalized to include entanglement entropy of black holes living on the boundary of anti-de Sitter space. The generalized proposal is verified in boundary dimensions d=2 and d=4 for both the uv-divergent and uv-finite terms. In dimension d=4 an expansion of entanglement entropy in terms of size L of the subsystem outside the black hole is considered. A new term in the entropy of dual strongly coupled conformal-field theory, which universally grows as L(2)lnL and is proportional to the value of the obstruction tensor at the black hole horizon, is predicted. PMID:17155672

  4. Advanced Cosmic Ray Composition Experiment for Space Station (ACCESS)

    NASA Technical Reports Server (NTRS)

    Wilson, Thomas L.; Wefel, John P.

    1999-01-01

    In 1994 the first high-energy particle physics experiment for the Space Station, the Alpha Magnetic Spectrometer (AMS), was selected by NASA's Administrator as a joint collaboration with the U.S. Department of Energy (DOE). The AMS program was chartered to place a magnetic spectrometer in Earth orbit and search for cosmic antimatter. A natural consequence of this decision was that NASA would begin to explore cost-effective ways through which the design and implementation of AMS might benefit other promising payload experiments which were evolving from the Office of Space Science. The first such experiment to come forward was ACCESS in 1996. It was proposed as a new mission concept in space physics to place a cosmic-ray experiment of weight, volume, and geometry similar to the AMS on the ISS, and replace the latter as its successor when the AMS is returned to Earth. This was to be an extension of NASA's sub-orbital balloon program, with balloon payloads serving as the precursor flights and heritage for ACCESS. The balloon programs have always been a cost-effective NASA resource since the particle physics instrumentation for balloon and space applications are directly related. The next step was to expand the process, pooling together expertise from various NASA centers and universities while opening up definition of the ACCESS science goals to the international community through the standard practice of peer-review. This process is still on-going and the Accommodation Study presented here will discuss the baseline definition of ACCESS as we understand it today. Further detail on the history, scope, and background of the study is provided in Appendix A.

  5. Conformation space renormalization of polymers. I. Single chain equilibrium properties using Wilson-type renormalization

    NASA Astrophysics Data System (ADS)

    Oono, Y.; Freed, Karl F.

    1981-07-01

    A conformation space renormalization group is developed to describe polymer excluded volume in single polymer chains. The theory proceeds in ordinary space in terms of position variables and the contour variable along the chain, and it considers polymers of fixed chain length. The theory is motivated along two lines. The first presents the renormalization group transformation as the means for extracting the macroscopic long wavelength quantities from the theory. An alternative viewpoint shows how the renormalization group transformation follows as a natural consequence of an attempt to correctly treat the presence of a cut-off length scale. It is demonstrated that the current configuration space renormalization method has a one-to-one correspondence with the Wilson-Fisher field theory formulation, so our method is valid to all orders in ɛ = 4-d where d is the spatial dimensionality. This stands in contrast to previous attempts at a configuration space renormalization approach which are limited to first order in ɛ because they arbitrarily assign monomers to renormalized ''blobs.'' In the current theory the real space chain conformations dictate the coarse graining transformation. The calculations are presented to lowest order in ɛ to enable the development of techniques necessary for the treatment of dynamics in Part II. The theory is presented both in terms of the simple delta function interaction as well as using realistic-type interaction potentials. This illustrates the renormalization of the interactions, the emergence of renormalized many-body interactions, and the complexity of the theta point.

  6. RESTful Access to NOAA's Space Weather Data and Metadata

    NASA Astrophysics Data System (ADS)

    Kihn, E. A.; Elespuru, P. R.; Zhizhin, M.

    2010-12-01

    The Space Physics Interactive Data Resource (SPIDR) (http://spidr.ngdc.noaa.gov) is a web based application for searching, accessing and interacting with NOAA’s space related data holdings. SPIDR serves as one of several interfaces to the National Geophysical Data Center's archived digital holdings. The SPIDR system while successful in delivering data and visualization to clients was also found to be limited in its ability to interact with other programs, its ability to integrate with alternate work-flows and its support for multiple user interfaces (UI). As such in 2006 the SPIDR development team implemented a SOAP based interface to SPIDR through which outside developers could make use of the resource. It was our finding however that despite our best efforts at documentation, the interface remained elusive to many users. That is to say a few strong programmers were able to format and use the XML messaging but in general it did not make the data more accessible. In response SPIDR has been extended to include a REST style web services API for all time series data. This provides direct, synchronous, simple programmatic access to over 200 individual parameters representing space weather data directly from the NGDC archive. In addition to the data service SPIDR has implemented a metadata service which allows users to get Federal Geographic Data Committee (FGDC )style metadata records describing all available data and stations. This metadata will migrate to the NASA Space Physics Archive Search and Extract ( SPASE) style in future versions in order to provide further detail. The combination of data, metadata and visualization tools available through SPIDR combine to make it a powerful virtual observatory (VO). When this is combined with a content rich metadata system we have experience vastly greater user response and usage This talk will present details of the development as well as lessons learned from 10 years of SPIDR development.

  7. Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.

    PubMed

    Hudson, William H; Kossmann, Bradley R; de Vera, Ian Mitchelle S; Chuo, Shih-Wei; Weikum, Emily R; Eick, Geeta N; Thornton, Joseph W; Ivanov, Ivaylo N; Kojetin, Douglas J; Ortlund, Eric A

    2016-01-12

    Many genomes contain families of paralogs--proteins with divergent function that evolved from a common ancestral gene after a duplication event. To understand how paralogous transcription factors evolve divergent DNA specificities, we examined how the glucocorticoid receptor and its paralogs evolved to bind activating response elements [(+)GREs] and negative glucocorticoid response elements (nGREs). We show that binding to nGREs is a property of the glucocorticoid receptor (GR) DNA-binding domain (DBD) not shared by other members of the steroid receptor family. Using phylogenetic, structural, biochemical, and molecular dynamics techniques, we show that the ancestral DBD from which GR and its paralogs evolved was capable of binding both nGRE and (+)GRE sequences because of the ancestral DBD's ability to assume multiple DNA-bound conformations. Subsequent amino acid substitutions in duplicated daughter genes selectively restricted protein conformational space, causing this dual DNA-binding specificity to be selectively enhanced in the GR lineage and lost in all others. Key substitutions that determined the receptors' response element-binding specificity were far from the proteins' DNA-binding interface and interacted epistatically to change the DBD's function through DNA-induced allosteric mechanisms. These amino acid substitutions subdivided both the conformational and functional space of the ancestral DBD among the present-day receptors, allowing a paralogous family of transcription factors to control disparate transcriptional programs despite high sequence identity.

  8. Aviation or space policy: New challenges for the insurance sector to private human access to space

    NASA Astrophysics Data System (ADS)

    van Oijhuizen Galhego Rosa, Ana Cristina

    2013-12-01

    The phenomenon of private human access to space has introduced a new set of problems in the insurance sector. Orbital and suborbital space transportation will surely be unique commercial services for this new market. Discussions are under way regarding space insurance, in order to establish whether this new market ought to be regulated by aviation or space law. Alongside new definitions, infrastructures, legal frameworks and liability insurances, the insurance sector has also been introducing a new approach. In this paper, I aim to analyse some of the possibilities of new premiums, capacities, and policies (under aviation or space insurance rules), as well as the new insurance products related to vehicles, passengers and third party liability. This paper claims that a change toward new insurance regimes is crucial, due to the current stage in development of space tourism and the urgency to adapt insurance rules to support future development in this area.

  9. 46 CFR 153.217 - Access to enclosed spaces and dedicated ballast tanks.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Access to enclosed spaces and dedicated ballast tanks... and Equipment General Vessel Requirements § 153.217 Access to enclosed spaces and dedicated ballast tanks. An access opening to an enclosed space or a dedicated ballast tank must meet the requirements...

  10. 46 CFR 153.217 - Access to enclosed spaces and dedicated ballast tanks.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Access to enclosed spaces and dedicated ballast tanks... and Equipment General Vessel Requirements § 153.217 Access to enclosed spaces and dedicated ballast tanks. An access opening to an enclosed space or a dedicated ballast tank must meet the requirements...

  11. Conformally covariant quantization of the Maxwell field in de Sitter space

    NASA Astrophysics Data System (ADS)

    Faci, S.; Huguet, E.; Queva, J.; Renaud, J.

    2009-12-01

    In this article, we quantize the Maxwell (“massless spin one”) de Sitter field in a conformally invariant gauge. This quantization is invariant under the SO0(2,4) group and consequently under the de Sitter group. We obtain a new de Sitter-invariant two-point function which is very simple. Our method relies on the one hand on a geometrical point of view which uses the realization of Minkowski, de Sitter and anti-de Sitter spaces as intersections of the null cone in R6 and a moving plane, and on the other hand on a canonical quantization scheme of the Gupta-Bleuler type.

  12. Conformally covariant quantization of the Maxwell field in de Sitter space

    SciTech Connect

    Faci, S.; Huguet, E.; Queva, J.; Renaud, J.

    2009-12-15

    In this article, we quantize the Maxwell ('massless spin one') de Sitter field in a conformally invariant gauge. This quantization is invariant under the SO{sub 0}(2,4) group and consequently under the de Sitter group. We obtain a new de Sitter-invariant two-point function which is very simple. Our method relies on the one hand on a geometrical point of view which uses the realization of Minkowski, de Sitter and anti-de Sitter spaces as intersections of the null cone in R{sup 6} and a moving plane, and on the other hand on a canonical quantization scheme of the Gupta-Bleuler type.

  13. Innovative Airbreathing Propulsion Concepts for Access to Space

    NASA Technical Reports Server (NTRS)

    Whitlow, Jr., Woodrow; Blech, Richard A.; Blankson, Isaiah M.

    2001-01-01

    This paper will present technologies and concepts for novel aeropropulsion systems. These technologies will enhance the safety of operations, reduce life cycle costs, and contribute to reduced costs of air travel and access to space. One of the goals of the NASA program is to reduce the carbon-dioxide emissions of aircraft engines. Engine concepts that use highly efficient fuel cell/electric drive technologies in hydrogen-fueled engines will be presented in the proposed paper. Carbon-dioxide emissions will be eliminated by replacing hydrocarbon fuel with hydrogen, and reduce NOx emissions through better combustion process control. A revolutionary exoskeletal engine concept, in which the engine drum is rotated, will be shown. This concept has the potential to allow a propulsion system that can be used for subsonic through hypersonic flight. Dual fan concepts that have ultra-high bypass ratios, low noise, and low drag will be presented. Flow-controlled turbofans and control-configured turbofans also will be discussed. To increase efficiency, a system of microengines distributed along lifting surfaces and on the fuselage is being investigated. This concept will be presented in the paper. Small propulsion systems for affordable, safe personal transportation vehicles will be discussed. These low-oil/oilless systems use technologies that enable significant cost and weight reductions. Pulse detonation engine-based hybrid-cycle and combined-cycle propulsion systems for aviation and space access will be presented.

  14. Sharing Ideas: Making Earth and Space Science Accessible

    NASA Astrophysics Data System (ADS)

    Runyon, C. J.; Guimond, K.; Atkinson, C.

    2005-12-01

    There are nearly six million K-12 students with some form of disability in the U.S. and the majority of them are required to achieve the same academic levels as their non-impaired peers. Historically, students with disabilities have experienced difficulties in fully accessing and participating in middle school and high school science programs. With the passage of the No Child Left Behind (NCLB) Act and increasing focus on reading and math performance, many students with exceptional needs are now being taught science by mainstream science teachers, who have little to no training on how to work with students with exceptional needs. For the past 5 years, SERCH has engaged in organizing and hosting a series of Exceptional Space Science Materials for Exceptional Students Workshops (ENWS) focused on educating students with special needs about the space sciences. Each workshop has focused on a different aspect of formal and informal education and working with the various special needs. In all of these workshops, participants experience what a person or student with special needs might encounter when working through educational activities or exhibits by experiencing it first-hand. In addition to making many of NASA's education materials accessible for all learners, a top-ten list of "best practices" has been compiled by the professional educators as a result of our working together for five years and their formal and informal educational experiences.

  15. The Hubble law as a kinematic outcome of the space-time conformal geometry

    SciTech Connect

    Tomilchik, L. M.

    2010-03-24

    The description of the cosmological expansion and its possible local manifestations as a pure kinematic effects of the space-time conformal geometry is given. The explicit form of the conformal deformation of time is established. The expression de pound ning the cosmological distance in the form of simple function on the red shift is obtained. By coupling it with the relativistic formula for the longitudinal Doppler effect, the explicit analytic expression for the Hubble law is obtained. The expression generalizing the standard Hubble law reproduces the experimentally observed phenomenon treated conventionally as a Dark Energy manifestation. The expression for conformal time deformation in the small time limit leads to the quadratic time nonlinearity. Being applied to describe the location-type experiments, this predicts the existence of the universal uniformly changing blue-shifted frequency drift. Phenomenon of the Pioneer Anomaly (PA) is treated as the pound rst of such a kind of effects discovered experimentally. The obtained formulae reproduce the Pioneer Anomaly experimental data.

  16. The Hubble law as a kinematic outcome of the space-time conformal geometry

    NASA Astrophysics Data System (ADS)

    Tomilchik, L. M.

    2010-03-01

    The description of the cosmological expansion and its possible local manifestations as a pure kinematic effects of the space-time conformal geometry is given. The explicit form of the conformal deformation of time is established. The expression de#ning the cosmological distance in the form of simple function on the red shift is obtained. By coupling it with the relativistic formula for the longitudinal Doppler effect, the explicit analytic expression for the Hubble law is obtained. The expression generalizing the standard Hubble law reproduces the experimentally observed phenomenon treated conventionally as a Dark Energy manifestation. The expression for conformal time deformation in the small time limit leads to the quadratic time nonlinearity. Being applied to describe the location-type experiments, this predicts the existence of the universal uniformly changing blue-shifted frequency drift. Phenomenon of the Pioneer Anomaly (PA) is treated as the #rst of such a kind of effects discovered experimentally. The obtained formulae reproduce the Pioneer Anomaly experimental data.

  17. Why Atens Enjoy Enhanced Accessibility For Human Space Flight

    NASA Technical Reports Server (NTRS)

    Barbee, Brent; Adamo, Daniel

    2011-01-01

    In the context of human space flight (HSF), the concept of near-Earth object (NEO) accessibility is highly subjective. Whether or not a particular NEO is accessible critically depends on mass, performance, and reliability of interplanetary HSF systems yet to be designed. Such systems would certainly include propulsion and crew life support with adequate shielding from both solar flares and galactic cosmic radiation. Equally critical architecture options are relevant to NEO accessibility. These options are also far from being determined and include the number of launches supporting an HSF mission, together with whether or not consumables are to be pre-emplaced at the destination. Until the unknowns of HSF to NEOs come into clearer focus, the notion of relative accessibility is of great utility. Imagine a group of NEOs, each with nearly equal HSF merit determined from their individual characteristics relating to crew safety, scientific return, resource utilization, and planetary defense. The more accessible members of this group are more likely to be explored first. A highly accessible NEO could conceivably be deferred in favor of a less accessible HSF destination because the latter is more accessible during a programmatically desirable launch compliant mission trajectory solutions detected in association with a specific NEO. The known NEO population is then surveyed to illustrate in which regions of heliocentric semi-major axis, eccentricity, and inclination (a, e, i) space NEOs with large n values are mapped. The (a, e, i) mapping is also formatted such that membership in each of four NEO orbit classifications, as defined below, is evident. Amors have orbits everywhere superior to (outside of) Earth's. An Amor is therefore defined to have perihelion between 1.017 astronomical units (AU) and the maximum NEO value of 1.3 AU. As of 0 hrs Universal Time on 1 January 2011 (UT epoch 2011.0), Amors numbered 2855 in the Jet Propulsion Laboratory (JPL) Small-Body Database

  18. Enabling Dedicated, Affordable Space Access Through Aggressive Technology Maturation

    NASA Technical Reports Server (NTRS)

    Jones, Jonathan; Kibbey, Tim; Lampton, Pat; Brown, Thomas

    2014-01-01

    A recent explosion in nano-sat, small-sat, and university class payloads has been driven by low cost electronics and sensors, wide component availability, as well as low cost, miniature computational capability and open source code. Increasing numbers of these very small spacecraft are being launched as secondary payloads, dramatically decreasing costs, and allowing greater access to operations and experimentation using actual space flight systems. While manifesting as a secondary payload provides inexpensive rides to orbit, these arrangements also have certain limitations. Small, secondary payloads are typically included with very limited payload accommodations, supported on a non interference basis (to the prime payload), and are delivered to orbital conditions driven by the primary launch customer. Integration of propulsion systems or other hazardous capabilities will further complicate secondary launch arrangements, and accommodation requirements. The National Aeronautics and Space Administration's Marshall Space Flight Center has begun work on the development of small, low cost launch system concepts that could provide dedicated, affordable launch alternatives to small, risk tolerant university type payloads and spacecraft. These efforts include development of small propulsion systems and highly optimized structural efficiency, utilizing modern advanced manufacturing techniques. This paper outlines the plans and accomplishments of these efforts and investigates opportunities for truly revolutionary reductions in launch and operations costs. Both evolution of existing sounding rocket systems to orbital delivery, and the development of clean sheet, optimized small launch systems are addressed. A launch vehicle at the scale and price point which allows developers to take reasonable risks with new propulsion and avionics hardware solutions does not exist today. Establishing this service provides a ride through the proverbial "valley of death" that lies between

  19. Improved small satellite access of the space network

    NASA Technical Reports Server (NTRS)

    Horan, Stephen; Osborne, William P.; Minnix, Timothy

    1994-01-01

    This report contains the results of a study performed under the sponsorship of the National Aeronautics and Space Administration (NASA) made as a grant to the Center for Space Telemetering and Telecommunication Systems at New Mexico State University. The purpose of this phase of the grant is to increase user access to the Space Network (SN) run by NASA for supplying space-to-ground communications for satellites and associated control centers. The identified need is to bring more users into the community of those accessing the SN, especially those in the small satellite class of users. The initial phase of the study concerned the potential for modifications to the standard transponder used in the SN. The results of that investigation are summarized in Section 4. As the hardware modifications were being investigated, a second option was developed, namely to consider changes to the operational mode for the small satellites. This operational concept was to use a single, fixed-pointing antenna in a spin-stabilized satellite and let the antenna pattern sweep past the Tracking and Data Relay Satellites (TDRS) in the SN. The question to be answered by this phase of the study was twofold: could enough contact time per day be made available using this simple operating mode and could the data rate be high enough to allow for sufficient data throughput to satisfy the user community using existing components. Section 2 outlines the methodology and simulation results to answer these questions. Section 3 contains a summary of an operational simulation of a simple satellite payload using these contact scenarios. The simulation is not all inclusive but shows how a payload simulation could be configured to utilize variable contact times. The answer to both of the questions desired to be answered is affirmative. By carefully choosing the correct system transmission power and antenna pattern, the system will allow support to the 50th percentile of expected systems. It is recommended

  20. Efficient solid rocket propulsion for access to space

    NASA Astrophysics Data System (ADS)

    Maggi, Filippo; Bandera, Alessio; Galfetti, Luciano; De Luca, Luigi T.; Jackson, Thomas L.

    2010-06-01

    Space launch activity is expected to grow in the next few years in order to follow the current trend of space exploitation for business purpose. Granting high specific thrust and volumetric specific impulse, and counting on decades of intense development, solid rocket propulsion is a good candidate for commercial access to space, even with common propellant formulations. Yet, some drawbacks such as low theoretical specific impulse, losses as well as safety issues, suggest more efficient propulsion systems, digging into the enhancement of consolidated techniques. Focusing the attention on delivered specific impulse, a consistent fraction of losses can be ascribed to the multiphase medium inside the nozzle which, in turn, is related to agglomeration; a reduction of agglomerate size is likely. The present paper proposes a model based on heterogeneity characterization capable of describing the agglomeration trend for a standard aluminized solid propellant formulation. Material microstructure is characterized through the use of two statistical descriptors (pair correlation function and near-contact particles) looking at the mean metal pocket size inside the bulk. Given the real formulation and density of a propellant, a packing code generates the material representative which is then statistically analyzed. Agglomerate predictions are successfully contrasted to experimental data at 5 bar for four different formulations.

  1. Extensive exploration of conformational space improves Rosetta results for short protein domains.

    PubMed

    Li, Yaohang; Bordner, Andrew J; Tian, Yuan; Tao, Xiuping; Gorin, Andrey A

    2008-01-01

    With some simplifications, computational protein folding can be understood as an optimization problem of a potential energy function on a variable space consisting of all conformation for a given protein molecule. It is well known that realistic energy potentials are very "rough" functions, when expressed in the standard variables, and the folding trajectories can be easily trapped in multiple local minima. We have integrated our variation of Parallel Tempering optimization into the protein folding program Rosetta in order to improve its capability to overcome energy barriers and estimate how such improvement will influence the quality of the folded protein domains. Here we report that (1) Parallel Tempering Rosetta (PTR) is significantly better in the exploration of protein structures than previous implementations of the program; (2) systematic improvements are observed across a large benchmark set in the parameters that are normally followed to estimate robustness of the folding; (3) these improvements are most dramatic in the subset of the shortest domains, where high-quality structures have been obtained for >75% of all tested sequences. Further analysis of the results will improve our understanding of protein conformational space and lead to new improvements in the protein folding methodology, while the current PTR implementation should be very efficient for short (up to approximately 80 a.a.) protein domains and therefore may find practical application in system biology studies.

  2. 46 CFR 154.340 - Access to tanks and spaces in the cargo area.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Access to tanks and spaces in the cargo area. 154.340... Equipment Ship Arrangements § 154.340 Access to tanks and spaces in the cargo area. (a) Each cargo tank must.... by 23.6 in.). (b) Each access into and through a void space or other gas-dangerous space in the...

  3. New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.

    PubMed

    de Almeida, Hugo; Bastos, Izabela M D; Ribeiro, Bergmann M; Maigret, Bernard; Santana, Jaime M

    2013-01-01

    Dengue fever is caused by four distinct serotypes of the dengue virus (DENV1-4), and is estimated to affect over 500 million people every year. Presently, there are no vaccines or antiviral treatments for this disease. Among the possible targets to fight dengue fever is the viral NS3 protease (NS3PRO), which is in part responsible for viral processing and replication. It is now widely recognized that virtual screening campaigns should consider the flexibility of target protein by using multiple active conformational states. The flexibility of the DENV NS3PRO could explain the relatively low success of previous virtual screening studies. In this first work, we explore the DENV NS3PRO conformational states obtained from molecular dynamics (MD) simulations to take into account protease flexibility during the virtual screening/docking process. To do so, we built a full NS3PRO model by multiple template homology modeling. The model comprised the NS2B cofactor (essential to the NS3PRO activation), a glycine flexible link and the proteolytic domain. MD simulations had the purpose to sample, as closely as possible, the ligand binding site conformational landscape prior to inhibitor binding. The obtained conformational MD sample was clustered into four families that, together with principal component analysis of the trajectory, demonstrated protein flexibility. These results allowed the description of multiple binding modes for the Bz-Nle-Lys-Arg-Arg-H inhibitor, as verified by binding plots and pair interaction analysis. This study allowed us to tackle protein flexibility in our virtual screening campaign against the dengue virus NS3 protease.

  4. Space Access for Small Satellites on the K-1

    NASA Astrophysics Data System (ADS)

    Faktor, L.

    Affordable access to space remains a major obstacle to realizing the increasing potential of small satellites systems. On a per kilogram basis, small launch vehicles are simply too expensive for the budgets of many small satellite programs. Opportunities for rideshare with larger payloads on larger launch vehicles are still rare, given the complications associated with coordinating delivery schedules and deployment orbits. Existing contractual mechanisms are also often inadequate to facilitate the launch of multiple payload customers on the same flight. Kistler Aerospace Corporation is committed to lowering the price and enhancing the availability of space access for small satellite programs through the fully-reusable K-1 launch vehicle. Kistler has been working with a number of entities, including Astrium Ltd., AeroAstro, and NASA, to develop innovative approaches to small satellite missions. The K-1 has been selected by NASA as a Flight Demonstration Vehicle for the Space Launch Initiative. NASA has purchased the flight results during the first four K-1 launches on the performance of 13 advanced launch vehicle technologies embedded in the K-1 vehicle. On K-1 flights #2-#4, opportunities exist for small satellites to rideshare to low-earth orbit for a low-launch price. Kistler's flight demonstration contract with NASA also includes options to fly Add-on Technology Experiment flights. Opportunities exist for rideshare payloads on these flights as well. Both commercial and government customers may take advantage of the rideshare pricing. Kistler is investigating the feasibility of flying dedicated, multiple small payload missions. Such a mission would launch multiple small payloads from a single customer or small payloads from different customers. The orbit would be selected to be compatible with the requirements of as many small payload customers as possible, and make use of reusable hardware, standard interfaces (such as the existing MPAS) and verification plans

  5. Developing hybrid near-space technologies for affordable access to suborbital space

    NASA Astrophysics Data System (ADS)

    Badders, Brian David

    High power rockets and high altitude balloons are two near-space technologies that could be combined in order to provide access to the mesosphere and, eventually, suborbital space. This "rockoon" technology has been used by several large budget space programs before being abandoned in favor of even more expensive, albeit more accurate, ground launch systems. With the increased development of nano-satellites and atmospheric sensors, combined with rising interest in global atmospheric data, there is an increase in desire for affordable access to extreme altitudes that does not necessarily require the precision of ground launches. Development of hybrid near-space technologies for access to over 200k ft. on a small budget brings many challenges within engineering, systems integration, cost analysis, market analysis, and business planning. This research includes the design and simulation testing of all the systems needed for a safe and reusable launch system, the cost analysis for initial production, the development of a business plan, and the development of a marketing plan. This project has both engineering and scientific significance in that it can prove the space readiness of new technologies, raise their technology readiness levels (TRLs), expedite the development process, and also provide new data to the scientific community. It also has the ability to stimulate university involvement in the aerospace industry and help to inspire the next generation of workers in the space sector. Previous development of high altitude balloon/high power rocket hybrid systems have been undertaken by government funded military programs or large aerospace corporations with varying degrees of success. However, there has yet to be a successful flight with this type of system which provides access to the upper mesosphere in a university setting. This project will aim to design and analyze a viable system while testing the engineering process under challenging budgetary constraints. The

  6. Truncated conformal space approach for 2D Landau–Ginzburg theories

    DOE PAGES

    Coser, A.; Beria, M.; Brandino, G. P.; Konik, R. M.; Mussardo, G.

    2014-12-10

    In this study, We examine the spectrum of Landau–Ginzburg theories in 1 + 1 dimensions using the truncated conformal space approach employing a compactified boson. We study these theories both in their broken and unbroken phases. We first demonstrate that we can reproduce the expected spectrum of a Φ² theory (i.e. a free massive boson) in this framework. We then turn to Φ⁴ in its unbroken phase and compare our numerical results with the predictions of two-loop perturbation theory, finding excellent agreement. We then analyze the broken phase of Φ⁴ where kink excitations together with their bound states are present.more » We confirm the semiclassical predictions for this model on the number of stable kink-antikink bound states. We also test the semiclassics in the double well phase of Φ⁶ Landau-Ginzburg theory, again finding agreement.« less

  7. Truncated conformal space approach for 2D Landau–Ginzburg theories

    SciTech Connect

    Coser, A.; Beria, M.; Brandino, G. P.; Konik, R. M.; Mussardo, G.

    2014-12-10

    In this study, We examine the spectrum of Landau–Ginzburg theories in 1 + 1 dimensions using the truncated conformal space approach employing a compactified boson. We study these theories both in their broken and unbroken phases. We first demonstrate that we can reproduce the expected spectrum of a Φ² theory (i.e. a free massive boson) in this framework. We then turn to Φ⁴ in its unbroken phase and compare our numerical results with the predictions of two-loop perturbation theory, finding excellent agreement. We then analyze the broken phase of Φ⁴ where kink excitations together with their bound states are present. We confirm the semiclassical predictions for this model on the number of stable kink-antikink bound states. We also test the semiclassics in the double well phase of Φ⁶ Landau-Ginzburg theory, again finding agreement.

  8. A field-space conformal-solution method: Binary vapor-liquid phase behavior

    NASA Astrophysics Data System (ADS)

    Storvick, T. S.; Fox, J. R.

    1990-01-01

    The field-space conformal solution method provides an entirely new thermodynamic framework for the description of fluid mixtures in terms of the properties of a pure reference fluid. The utility and performance of the method are examined in the special case of vapor-liquid equilibrium correlation for simple mixtures. This is one of several cases in which field-space methods have numerical or theoretical advantages over methods presently used in mixture property correlation; only properties along the vapor pressure curve of the purefluid reference system are required for a complete description of the mixture phase behavior. Vapor-liquid equilibrium data for three binary hydrocarbon mixtures, n-butane + n-pentane, n-butane + n-hexane, and n-butane + n-octane, are correlated with a simple implementation of the method having two independent mixture parameters. Two pure-fluid equations of state, a Peng-Robinson equation and a 32-constant modified Benedict-Webb-Rubin equation, are tested as reference systems. The effects of differences in the quality of the reference system and of a range of mixture component size ratios are examined.

  9. Second order superintegrable systems in conformally flat spaces. IV. The classical 3D Staeckel transform and 3D classification theory

    SciTech Connect

    Kalnins, E.G.; Kress, J.M.; Miller, W. Jr.

    2006-04-15

    This article is one of a series that lays the groundwork for a structure and classification theory of second order superintegrable systems, both classical and quantum, in conformally flat spaces. In the first part of the article we study the Staeckel transform (or coupling constant metamorphosis) as an invertible mapping between classical superintegrable systems on different three-dimensional spaces. We show first that all superintegrable systems with nondegenerate potentials are multiseparable and then that each such system on any conformally flat space is Staeckel equivalent to a system on a constant curvature space. In the second part of the article we classify all the superintegrable systems that admit separation in generic coordinates. We find that there are eight families of these systems.

  10. 41 CFR 105-8.152 - Program accessibility: Assignment of space.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...-8.152 Program accessibility: Assignment of space. (a) When GSA assigns or reassigns space to an... and provide alternative space that will not result in one or more of the agency's programs being... agency to accept space that results in one or more of the agency's programs being inaccessible....

  11. 41 CFR 105-8.152 - Program accessibility: Assignment of space.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-8.152 Program accessibility: Assignment of space. (a) When GSA assigns or reassigns space to an... and provide alternative space that will not result in one or more of the agency's programs being... agency to accept space that results in one or more of the agency's programs being inaccessible....

  12. 41 CFR 105-8.152 - Program accessibility: Assignment of space.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-8.152 Program accessibility: Assignment of space. (a) When GSA assigns or reassigns space to an... and provide alternative space that will not result in one or more of the agency's programs being... agency to accept space that results in one or more of the agency's programs being inaccessible....

  13. 41 CFR 105-8.152 - Program accessibility: Assignment of space.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...-8.152 Program accessibility: Assignment of space. (a) When GSA assigns or reassigns space to an... and provide alternative space that will not result in one or more of the agency's programs being... agency to accept space that results in one or more of the agency's programs being inaccessible....

  14. 41 CFR 105-8.152 - Program accessibility: Assignment of space.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...-8.152 Program accessibility: Assignment of space. (a) When GSA assigns or reassigns space to an... and provide alternative space that will not result in one or more of the agency's programs being... agency to accept space that results in one or more of the agency's programs being inaccessible....

  15. Marshall Space Flight Center's role in EASE/ACCESS mission management

    NASA Technical Reports Server (NTRS)

    Hawkins, Gerald W.

    1987-01-01

    The Marshall Space Flight Center (MSFC) Spacelab Payload Project Office was responsible for the mission management and development of several successful payloads. Two recent space construction experiments, the Experimental Assembly of Structures in Extravehicular Activity (EASE) and the Assembly Concept for Construction of Erectable Space Structures (ACCESS), were combined into a payload managed by the center. The Ease/ACCESS was flown aboard the Space Shuttle Mission 61-B. The EASE/ACCESS experiments were the first structures assembled in space, and the method used to manage this successful effort will be useful for future space construction missions. The MSFC mission management responsibilities for the EASE/ACCESS mission are addressed and how the lessons learned from the mission can be applied to future space construction projects are discussed.

  16. Measuring the conformational space of square four-helical bundles with the program samCC.

    PubMed

    Dunin-Horkawicz, Stanislaw; Lupas, Andrei N

    2010-05-01

    Four-helical bundles are the most abundant topological motif among helical folds. Their constituent helices show crossing angles that mainly cluster around +20 degrees (aligned) or -50 degrees (orthogonal). Bundles with all helices aligned are called 'square' and comprise four-helical coiled coils as their structurally most regular form. Since coiled coils can be described fully by parametric equations, they can serve as a reference point for quantifying the conformational space of all square bundles. To this end we have developed a program, samCC, which measures the deviation of a given bundle from an idealized coiled coil and decomposes this into axial rotation and axial, radial, and angular shifts. We present examples of analyses performed with the program and focus in particular on the axial rotation states of helices in coiled coils, in order to gain further insight into a proposed mechanism for transmembrane signal transduction, which involves a 26 degrees axial rotation of helices between a canonical coiled coil and a variant called the Alacoil. We find that, unlike expected from the mechanistic model, coiled coils show a continuum of axial rotation states, suggesting that the Alacoil does not represent a single, defined state. We also find that one of the originally proposed Alacoil proteins, Rop, in fact has canonical packing. SamCC is freely available as a web service athttp://toolkit.tuebingen.mpg.de/samcc.

  17. Exploring the accessible conformations of N-terminal acetylated α-synuclein

    PubMed Central

    Moriarty, Gina M.; Janowska, Maria K.; Kang, Lijuan; Baum, Jean

    2014-01-01

    Alpha synuclein (αsyn) fibrils are found in the Lewy Bodies of patients with Parkinson’s disease (PD). The aggregation of the αsyn monomer to soluble oligomers and insoluble fibril aggregates is believed to be one of the causes of PD. Recently, the view of the native state of αsyn as a monomeric ensemble was challenged by a report suggesting that αsyn exists in its native state as a helical tetramer. This review reports on our current understanding of αsyn within the context of these recent developments and describes the work performed by a number of groups to address the monomer/tetramer debate. A number of in depth studies have subsequently shown that both non-acetylated and acetylated αsyn purified under mild conditions are primarily monomer. A description of the accessible states of acetylated αsyn monomer and the ability of αsyn to self-associate is explored. PMID:23499431

  18. Gd(3+) Spin Labels Report the Conformation and Solvent Accessibility of Solution and Vesicle-Bound Melittin.

    PubMed

    Manukovsky, Nurit; Frydman, Veronica; Goldfarb, Daniella

    2015-10-29

    Although Gd(3+)-based spin labels have been shown to be an alternative to nitroxides for double electron-electron resonance (DEER) distance measurements at high fields, their ability to provide solvent accessibility information, as nitroxides do, has not been explored. In addition, the effect of the label type on the measured distance distribution has not been sufficiently characterized. In this work, we extended the applicability of Gd(3+) spin labels to solvent accessibility measurements on a peptide in model membranes, namely, large unilamellar vesicles (LUVs) using W-band (2)H Mims electron-nuclear double resonance (ENDOR) and electron spin echo envelope modulation (ESEEM) techniques and Gd(3+)-ADO3A-labeled melittin. In addition, we carried out Gd(3+)-Gd(3+) DEER distance measurements to probe the peptide conformation in solution and when bound to LUVs. A comparison with earlier results reported for the same system with nitroxide labels shows that, although in both cases the peptide binds parallel to the membrane surface, the Gd(3+)-ADO3A label tends to protrude from the membrane into the solvent, whereas the nitroxide does the opposite. This can be explained on the basis of the hydrophilicity of the Gd(3+)-ADO3A labels in contrast with the hydrophobicity of nitroxides. The distance distributions obtained from different labels are accordingly different, with the Gd(3+)-ADO3A yielding consistently broader distributions. These discrepancies are most pronounced when the peptide termini are labeled, which implies that such labeling positions may be inadvisible. PMID:26001213

  19. Crystal Structure of Inhibitor-Bound P450BM-3 Reveals Open Conformation of Substrate Access Channel

    SciTech Connect

    Haines, Donovan C.; Chen, Baozhi; Tomchick, Diana R.; Bondlela, Muralidhar; Hegde, Amita; Machius, Mischa; Peterson, Julian A.

    2008-08-19

    P450BM-3 is an extensively studied P450 cytochrome that is naturally fused to a cytochrome P450 reductase domain. Crystal structures of the heme domain of this enzyme have previously generated many insights into features of P450 structure, substrate binding specificity, and conformational changes that occur on substrate binding. Although many P450s are inhibited by imidazole, this compound does not effectively inhibit P450BM-3. {omega}-Imidazolyl fatty acids have previously been found to be weak inhibitors of the enzyme and show some unusual cooperativity with the substrate lauric acid. We set out to improve the properties of these inhibitors by attaching the {omega}-imidazolyl fatty acid to the nitrogen of an amino acid group, a tactic that we used previously to increase the potency of substrates. The resulting inhibitors were significantly more potent than their parent compounds lacking the amino acid group. A crystal structure of one of the new inhibitors bound to the heme domain of P450BM-3 reveals that the mode of interaction of the amino acid group with the enzyme is different from that previously observed for acyl amino acid substrates. Further, required movements of residues in the active site to accommodate the imidazole group provide an explanation for the low affinity of imidazole itself. Finally, the previously observed cooperativity with lauric acid is explained by a surprisingly open substrate-access channel lined with hydrophobic residues that could potentially accommodate lauric acid in addition to the inhibitor itself.

  20. Adjustment of local conformational flexibility and accessible surface area alterations of Serine128 and Valine183 in mnemiopsin

    NASA Astrophysics Data System (ADS)

    Hakiminia, Forough; Molakarimi, Maryam; Khalifeh, Khosrow; Jahani, Zohreh; Sajedi, Reza H.; Ranjbar, Bijan

    2016-08-01

    We used a combination of experimental and bioinformatic studies to elucidate the importance of Serine128 and Valine183 on the activity and thermal stability of mnemiopsin 1 by substitution of S128 and V183 with glycine and threonine, respectively (S128G and V183T mutants). Luminescence emissions of S128G and V183T were reduced to 71.6% and 46.6% with respect to the original activity of the wild type protein. According to circular dichroism (CD) measurements, compactness of mutants decreased in comparison with wild type (WT) protein. Differential scanning calorimetry (DSC) indicated that Tm values of thermal unfolding are not changed significantly upon mutation. Herein, we suggest that the protein variants unfold through molecular association and intermediate states. Bioinformatic studies revealed that local fluctuation of residues in S128G increased with respect to WT protein. However, S128G mutation leads to increment of the accessible surface area of lysine188. Therefore, this change is thermodynamically favorable. Finally, both experimental and theoretical studies showed a delicate balance between all structural alterations, determining total conformational stability of the protein.

  1. Assessing equitable access to urban green space: the role of engineered water infrastructure.

    PubMed

    Wendel, Heather E Wright; Downs, Joni A; Mihelcic, James R

    2011-08-15

    Urban green space and water features provide numerous social, environmental, and economic benefits, yet disparities often exist in their distribution and accessibility. This study examines the link between issues of environmental justice and urban water management to evaluate potential improvements in green space and surface water access through the revitalization of existing engineered water infrastructures, namely stormwater ponds. First, relative access to green space and water features were compared for residents of Tampa, Florida, and an inner-city community of Tampa (East Tampa). Although disparities were not found in overall accessibility between Tampa and East Tampa, inequalities were apparent when quality, diversity, and size of green spaces were considered. East Tampa residents had significantly less access to larger, more desirable spaces and water features. Second, this research explored approaches for improving accessibility to green space and natural water using three integrated stormwater management development scenarios. These scenarios highlighted the ability of enhanced water infrastructures to increase access equality at a variety of spatial scales. Ultimately, the "greening" of gray urban water infrastructures is advocated as a way to address environmental justice issues while also reconnecting residents with issues of urban water management. PMID:21728276

  2. Assessing equitable access to urban green space: the role of engineered water infrastructure.

    PubMed

    Wendel, Heather E Wright; Downs, Joni A; Mihelcic, James R

    2011-08-15

    Urban green space and water features provide numerous social, environmental, and economic benefits, yet disparities often exist in their distribution and accessibility. This study examines the link between issues of environmental justice and urban water management to evaluate potential improvements in green space and surface water access through the revitalization of existing engineered water infrastructures, namely stormwater ponds. First, relative access to green space and water features were compared for residents of Tampa, Florida, and an inner-city community of Tampa (East Tampa). Although disparities were not found in overall accessibility between Tampa and East Tampa, inequalities were apparent when quality, diversity, and size of green spaces were considered. East Tampa residents had significantly less access to larger, more desirable spaces and water features. Second, this research explored approaches for improving accessibility to green space and natural water using three integrated stormwater management development scenarios. These scenarios highlighted the ability of enhanced water infrastructures to increase access equality at a variety of spatial scales. Ultimately, the "greening" of gray urban water infrastructures is advocated as a way to address environmental justice issues while also reconnecting residents with issues of urban water management.

  3. Attached shuttle payload carriers: Versatile and affordable access to space

    NASA Technical Reports Server (NTRS)

    1990-01-01

    The shuttle has been primarily designed to be a versatile vehicle for placing a variety of scientific and technological equipment in space including very large payloads; however, since many large payloads do not fill the shuttle bay, the space and weight margins remaining after the major payloads are accommodated often can be made available to small payloads. The Goddard Space Flight Center (GSFC) has designed standardized mounting structures and other support systems, collectively called attached shuttle payload (ASP) carriers, to make this additional space available to researchers at a relatively modest cost. Other carrier systems for ASP's are operated by other NASA centers. A major feature of the ASP carriers is their ease of use in the world of the Space Shuttle. ASP carriers attempt to minimized the payload interaction with Space Transportation System (STS) operations whenever possible. Where this is not possible, the STS services used are not extensive. As a result, the interfaces between the carriers and the STS are simplified. With this near autonomy, the requirements for supporting documentation are considerably lessened and payload costs correspondingly reduced. The ASP carrier systems and their capabilities are discussed in detail. The range of available capabilities assures that an experimenter can select the simplest, most cost-effective carrier that is compatible with his or her experimental objectives. Examples of payloads which use ASP basic hardware in nonstandard ways are also described.

  4. Secure Payload Access to the International Space Station

    NASA Technical Reports Server (NTRS)

    Pitts, R. Lee; Reid, Chris

    2002-01-01

    The ISS finally reached an operational state and exists for local and remote users. Onboard payload systems are managed by the Huntsville Operations Support Center (HOSC). Users access HOSC systems by internet protocols in support of daily operations, preflight simulation, and test. In support of this diverse user community, a modem security architecture has been implemented. The architecture has evolved over time from an isolated but open system to a system which supports local and remote access to the ISS over broad geographic regions. This has been accomplished through the use of an evolved security strategy, PKI, and custom design. Through this paper, descriptions of the migration process and the lessons learned are presented. This will include product decision criteria, rationale, and the use of commodity products in the end architecture. This paper will also stress the need for interoperability of various products and the effects of seemingly insignificant details.

  5. Analyzing green/open space accessibility by using GIS: case study of northern Cyprus cities

    NASA Astrophysics Data System (ADS)

    Kara, Can; Akçit, Nuhcan

    2015-06-01

    It is well known that green spaces are vital for increasing the quality of life within the urban environment. World Health Organization states that it should be 9 square meters per person at least. European Environment Agency defines that 5000 square meters of green space should be accessible within 300 meters distance from households. Green structure in Northern Cyprus is not sufficient and effective in this manner. In Northern Cyprus, they have neglected the urban planning process and they have started to lose significance and importance. The present work analyzes the accessibility of green spaces in Northern Cyprus cities. Kioneli, Famagusta, Kyrenia and the northern part of Nicosia are analyzed in this manner. To do that, green space structure is analyzed by using digital data. Additionally, accessibility of the green space is measured by using 300-meter buffers for each city. Euclidean distance is used from each building and accessibility maps are generated. Kyrenia and Famagusta have shortage in green space per capita. The amount of green space in these cities is less than 4 square meters. The factors affecting the accessibility and utilization of public spaces are discussed to present better solutions to urban planning.

  6. Transformational Technologies to Expedite Space Access and Development

    SciTech Connect

    Rather, John D. G.

    2010-01-28

    Throughout history the emergence of new technologies has enabled unforeseen breakthrough capabilities that rapidly transformed the world. Some global examples from the twentieth century include AC electric power, nuclear energy, and turbojet engines. At the systems level, success of both Apollo and the Space Shuttle programs depended upon taming hydrogen propulsion and developing high-temperature atmospheric reentry materials. Human space development now is stymied because of a great need for breakthrough technologies and strategies. It is believed that new capabilities exist within the present states-of-the-art of superconducting technology that can be implemented to transform the future of human space development. This paper is an overview of three other papers presented within this forum, which summarizes the principles and consequences of StarTram, showing how the resulting breakthrough advantages can lead directly to safe space tourism and massive development of the moon, Mars and the outer solar system. StarTram can implement cost-effective solar power from space, simple utilization of asteroid material to protect humans from ionizing radiation, and effective defense of the Earth from devastating cosmic impacts. Synergistically, StarTram technologies will revolutionize ground transportation on the Earth, leading to enormous reduction in energy consumption and creation of millions of jobs. High energy lasers will also be discussed because of their importance to power beaming applications.

  7. Transformational Technologies to Expedite Space Access and Development

    NASA Astrophysics Data System (ADS)

    Rather, John D. G.

    2010-01-01

    Throughout history the emergence of new technologies has enabled unforeseen breakthrough capabilities that rapidly transformed the world. Some global examples from the twentieth century include AC electric power, nuclear energy, and turbojet engines. At the systems level, success of both Apollo and the Space Shuttle programs depended upon taming hydrogen propulsion and developing high-temperature atmospheric reentry materials. Human space development now is stymied because of a great need for breakthrough technologies and strategies. It is believed that new capabilities exist within the present states-of-the-art of superconducting technology that can be implemented to transform the future of human space development. This paper is an overview of three other papers presented within this forum, which summarizes the principles and consequences of StarTram, showing how the resulting breakthrough advantages can lead directly to safe space tourism and massive development of the moon, Mars and the outer solar system. StarTram can implement cost-effective solar power from space, simple utilization of asteroid material to protect humans from ionizing radiation, and effective defense of the Earth from devastating cosmic impacts. Synergistically, StarTram technologies will revolutionize ground transportation on the Earth, leading to enormous reduction in energy consumption and creation of millions of jobs. High energy lasers will also be discussed because of their importance to power beaming applications.

  8. [Analysis on accessibility of urban park green space: the case study of Shenyang Tiexi District].

    PubMed

    Lu, Ning; Li, Jun-Ying; Yan, Hong-Wei; Shi, Tuo; Li, Ying

    2014-10-01

    The accessibility of urban park green space is an important indicator to reflect how much the natural service supplied by parks could be enjoyed by citizens conveniently and fairly. This paper took Shenyang Tiexi District as an example to evaluate the accessibility of urban park green space based on QuickBird imagery and GIS software, with four modes of transportation, walking, non-motor vehicle, motor vehicle and public transport being considered. The research compared and analyzed the distribution of the accessible area and the accessible people of park green space. The result demonstrated that park green space in Shenyang Tiexi District was not enough and the distribution was not even. To be precise, the accessibility in southwest part and central part was relatively good, that in marginal sites was worse, and that in east part and north part was the worst. Furthermore, the accessibility based on different modes of transportation varied a lot. The accessibility of motor vehicle was the best, followed by non-motor vehicle and public transport, and walking was the worst. Most of the regions could be reached within 30 minutes by walking, 15 minutes by non-motor vehicle and public transport, and 10 minutes by motor vehicle. This paper had a realistic significance in terms of further, systematic research on the green space spatial pattern optimization.

  9. Enabling Dedicated, Affordable Space Access Through Aggressive Technology Maturation

    NASA Technical Reports Server (NTRS)

    Jones, Jonathan E.; Kibbey, Timothy P.; Cobb, C. Brent; Harris, Lawanna L.

    2014-01-01

    A launch vehicle at the scale and price point which allows developers to take reasonable risks with high payoff propulsion and avionics hardware solutions does not exist today. Establishing this service provides a ride through the proverbial technology "valley of death" that lies between demonstration in laboratory and flight environments. NASA's NanoLaunch effort will provide the framework to mature both earth-to-orbit and on-orbit propulsion and avionics technologies while also providing affordable, dedicated access to low earth orbit for cubesat class payloads.

  10. Probing molecular conformations in momentum space: The case of n-pentane

    NASA Astrophysics Data System (ADS)

    Knippenberg, S.; Huang, Y. R.; Hajgató, B.; François, J.-P.; Deng, J. K.; Deleuze, M. S.

    2007-11-01

    A comprehensive study, throughout the valence region, of the electronic structure and electron momentum density distributions of the four conformational isomers of n-pentane is presented. Theoretical (e,2e) valence ionization spectra at high electron impact energies (1200eV+electron binding energy) and at azimuthal angles ranging from 0° to 10° in a noncoplanar symmetric kinematical setup are generated according to the results of large scale one-particle Green's function calculations of Dyson orbitals and related electron binding energies, using the third-order algebraic-diagrammatic construction [ADC(3)] scheme. The results of a focal point analysis (FPA) of relative conformer energies [A. Salam and M. S. Deleuze, J. Chem. Phys. 116, 1296 (2002)] and improved thermodynamical calculations accounting for hindered rotations are also employed in order to quantitatively evaluate the abundance of each conformer in the gas phase at room temperature and reliably predict the outcome of experiments on n-pentane employing high resolution electron momentum spectroscopy. Comparison with available photoelectron measurements confirms the suggestion that, due to entropy effects, the trans-gauche (tg) conformer strongly dominates the conformational mixture characterizing n-pentane at room temperature. Our simulations demonstrate therefore that experimental measurements of (e,2e) valence ionization spectra and electron momentum distributions would very consistently and straightforwardly image the topological changes and energy variations that molecular orbitals undergo due to torsion of the carbon backbone. The strongest fingerprints for the most stable conformer (tt) are found for the electron momentum distributions associated with ionization channels at the top of the inner-valence region, which sensitively image the development of methylenic hyperconjugation in all-staggered n-alkane chains.

  11. SLAC All Access: Fermi Gamma-ray Space Telescope

    ScienceCinema

    Romani, Roger

    2016-07-12

    Three hundred and fifty miles overhead, the Fermi Gamma-ray Space Telescope silently glides through space. From this serene vantage point, the satellite's instruments watch the fiercest processes in the universe unfold. Pulsars spin up to 700 times a second, sweeping powerful beams of gamma-ray light through the cosmos. The hyperactive cores of distant galaxies spew bright jets of plasma. Far beyond, something mysterious explodes with unfathomable power, sending energy waves crashing through the universe. Stanford professor and KIPAC member Roger W. Romani talks about this orbiting telescope, the most advanced ever to view the sky in gamma rays, a form of light at the highest end of the energy spectrum that's created in the hottest regions of the universe.

  12. SLAC All Access: Fermi Gamma-ray Space Telescope

    SciTech Connect

    Romani, Roger

    2013-05-31

    Three hundred and fifty miles overhead, the Fermi Gamma-ray Space Telescope silently glides through space. From this serene vantage point, the satellite's instruments watch the fiercest processes in the universe unfold. Pulsars spin up to 700 times a second, sweeping powerful beams of gamma-ray light through the cosmos. The hyperactive cores of distant galaxies spew bright jets of plasma. Far beyond, something mysterious explodes with unfathomable power, sending energy waves crashing through the universe. Stanford professor and KIPAC member Roger W. Romani talks about this orbiting telescope, the most advanced ever to view the sky in gamma rays, a form of light at the highest end of the energy spectrum that's created in the hottest regions of the universe.

  13. Concept for Multiple-Access Free-Space Laser Communications

    NASA Technical Reports Server (NTRS)

    Wilson, Keith

    2004-01-01

    A design concept for a proposed airborne or spaceborne free-space optical-communication terminal provides for simultaneous reception of signals from multiple other opticalcommunication terminals aboard aircraft or spacecraft that carry scientific instruments and fly at lower altitudes. The concept reflects the need for rapid acquisition and tracking of the signals coming from the lower-altitude terminals as they move across the field of view.

  14. Efficient sampling of protein conformational space using fast loop building and batch minimization on highly parallel computers.

    PubMed

    Tyka, Michael D; Jung, Kenneth; Baker, David

    2012-12-01

    All-atom sampling is a critical and compute-intensive end stage to protein structural modeling. Because of the vast size and extreme ruggedness of conformational space, even close to the native structure, the high-resolution sampling problem is almost as difficult as predicting the rough fold of a protein. Here, we present a combination of new algorithms that considerably speed up the exploration of very rugged conformational landscapes and are capable of finding heretofore hidden low-energy states. The algorithm is based on a hierarchical workflow and can be parallelized on supercomputers with up to 128,000 compute cores with near perfect efficiency. Such scaling behavior is notable, as with Moore's law continuing only in the number of cores per chip, parallelizability is a critical property of new algorithms. Using the enhanced sampling power, we have uncovered previously invisible deficiencies in the Rosetta force field and created an extensive decoy training set for optimizing and testing force fields.

  15. REUSABLE PROPULSION ARCHITECTURE FOR SUSTAINABLE LOW-COST ACCESS TO SPACE

    NASA Technical Reports Server (NTRS)

    Bonometti, J. A.; Dankanich, J. W.; Frame, K. L.

    2005-01-01

    The primary obstacle to any space-based mission is, and has always been, the cost of access to space. Even with impressive efforts toward reusability, no system has come close to lowering the cost a significant amount. It is postulated here, that architectural innovation is necessary to make reusability feasible, not incremental subsystem changes. This paper shows two architectural approaches of reusability that merit further study investments. Both #inherently# have performance increases and cost advantages to make affordable access to space a near term reality. A rocket launched from a subsonic aircraft (specifically the Crossbow methodology) and a momentum exchange tether, reboosted by electrodynamics, offer possibilities of substantial reductions in the total transportation architecture mass - making access-to-space cost-effective. They also offer intangible benefits that reduce risk or offer large growth potential. The cost analysis indicates that approximately a 50% savings is obtained using today#s aerospace materials and practices.

  16. Space Vision: Making Astronomy Accessible to Visually Impaired Students

    NASA Astrophysics Data System (ADS)

    Ries, J. G.; Baguio, M. R.; Jurgens, T. D.; Pruett, K. M.

    2004-05-01

    Astronomy, with good reason, is thought of as a visual science. Spectacular images of deep space objects or other worlds of our solar system inspire public interest in Astronomy. People encounter news about the universe during their daily life. Developing concepts about celestial objects presents an extra challenge of abstraction for people with visual impairments. The Texas Space Grant Consortium with educators at the Texas School for the Blind and Visually Impaired have developed a 2 day workshop to be held in April 2004 to help students with visual impairments understand these concepts. Hands-on activities and experiments will emphasize non-visual senses. For example, students will learn about: - Constellations as historical ways of finding one's way across the sky. - The size and structure of the Solar System by building a scale model on a running track. They will also: - Plan a planetary exploration mission. - Explore wave phenomenon using heat and sound waves. In preparation for the workshop we worked with teens involved in the countywide 4-H Teens Leading with Character (TLC) program to create the tactile materials necessary for the activities. The teens attended solar system education training so they would have the skills necessary to make the tactile displays to be used during the workshop. The results and evaluation of the workshop will be presented at the meeting. Touch the Universe: A NASA Braille Book of Astronomy inspired this workshop, and it is supported by HST Grant HST-ED-90255.01-A.

  17. A global conformal extension theorem for perfect fluid Bianchi space-times

    SciTech Connect

    Luebbe, Christian Tod, Paul

    2008-12-15

    A global extension theorem is established for isotropic singularities in polytropic perfect fluid Bianchi space-times. When an extension is possible, the limiting behaviour of the physical space-time near the singularity is analysed.

  18. Conformational space of clindamycin studied by ab initio and full-atom molecular dynamics.

    PubMed

    Kulczycka-Mierzejewska, Katarzyna; Trylska, Joanna; Sadlej, Joanna

    2016-01-01

    Molecular dynamics (MD) simulations allow determining internal flexibility of molecules at atomic level. Using ab initio Born-Oppenheimer molecular dynamics (BOMD), one can simulate in a reasonable time frame small systems with hundreds of atoms, usually in vacuum. With quantum mechanics/molecular mechanics (QM/MM) or full-atom molecular dynamics (FAMD), the influence of the environment can also be simulated. Here, we compare three types of MD calculations: ab initio BOMD, hybrid QM/MM, and classical FAMD. As a model system, we use a small antibiotic molecule, clindamycin, which is one of the lincosamide antibiotics. Clindamycin acquires two energetically stable forms and we investigated the transition between these two experimentally known conformers. We performed 60-ps BOMD simulations in vacuum, 50-ps QM/MM, and 100-ns FAMD in explicit water. The transition between two antibiotic conformers was observed using both BOMD and FAMD methods but was not noted in the QM/MM simulations. PMID:26733483

  19. Considerations on private human access to space from an institutional point of view

    NASA Astrophysics Data System (ADS)

    Hufenbach, Bernhard

    2013-12-01

    Private human access to space as discussed in this article addresses two market segments: suborbital flight and crew flights to Low Earth Orbit. The role of entrepreneurs, the technical complexity, the customers, the market conditions as well as the time to market in these two segments differ significantly. Space agencies take currently a very different approach towards private human access to space in both segments. Analysing the outcome of broader inter-agency deliberations on the future of human spaceflight and exploration, performed e.g. in the framework of the International Space Exploration Coordination Group, enables to derive some common general views on this topic. Various documents developed by inter-agency working groups recognise the general strategic importance for enabling private human access to space for ensuring a sustainable future of human spaceflight, although the specific definition of private human access and approaches vary. ESA has performed some reflections on this subject throughout the last 5 years. While it gained through these reflections a good understanding on the opportunities and implications resulting from the development of capabilities and markets for Private Human Access, limited concrete activities have been initiated in relation to this topic as of today.

  20. Sampling the conformational space of the catalytic subunit of human γ-secretase

    PubMed Central

    Bai, Xiao-chen; Rajendra, Eeson; Yang, Guanghui; Shi, Yigong; Scheres, Sjors HW

    2015-01-01

    Human γ-secretase is an intra-membrane protease that cleaves many different substrates. Aberrant cleavage of Notch is implicated in cancer, while abnormalities in cutting amyloid precursor protein lead to Alzheimer's disease. Our previous cryo-EM structure of γ-secretase revealed considerable disorder in its catalytic subunit presenilin. Here, we describe an image classification procedure that characterizes molecular plasticity at the secondary structure level, and apply this method to identify three distinct conformations in our previous sample. In one of these conformations, an additional transmembrane helix is visible that cannot be attributed to the known components of γ-secretase. In addition, we present a γ-secretase structure in complex with the dipeptidic inhibitor N-[N-(3,5-difluorophenacetyl)-L-alanyl]-S-phenylglycine t-butyl ester (DAPT). Our results reveal how conformational mobility in the second and sixth transmembrane helices of presenilin is greatly reduced upon binding of DAPT or the additional helix, and form the basis for a new model of how substrate enters the transmembrane domain. DOI: http://dx.doi.org/10.7554/eLife.11182.001 PMID:26623517

  1. Conformational Space and Stability of ETD Charge Reduction Products of Ubiquitin

    NASA Astrophysics Data System (ADS)

    Lermyte, Frederik; Łącki, Mateusz Krzysztof; Valkenborg, Dirk; Gambin, Anna; Sobott, Frank

    2016-08-01

    Owing to its versatility, electron transfer dissociation (ETD) has become one of the most commonly utilized fragmentation techniques in both native and non-native top-down mass spectrometry. However, several competing reactions—primarily different forms of charge reduction—occur under ETD conditions, as evidenced by the distorted isotope patterns usually observed. In this work, we analyze these isotope patterns to compare the stability of nondissociative electron transfer (ETnoD) products, specifically noncovalent c/z fragment complexes, across a range of ubiquitin conformational states. Using ion mobility, we find that more extended states are more prone to fragment release. We obtain evidence that for a given charge state, populations of ubiquitin ions formed either directly by electrospray ionization or through collapse of more extended states upon charge reduction, span a similar range of collision cross-sections. Products of gas-phase collapse are, however, less stabilized towards unfolding than the native conformation, indicating that the ions retain a memory of previous conformational states. Furthermore, this collapse of charge-reduced ions is promoted if the ions are `preheated' using collisional activation, with possible implications for the kinetics of gas-phase compaction.

  2. Small-molecule G-quadruplex interactions: Systematic exploration of conformational space using multiple molecular dynamics.

    PubMed

    Husby, Jarmila; Todd, Alan K; Platts, James A; Neidle, Stephen

    2013-12-01

    G-quadruplexes are higher-order four-stranded structures formed from repetitive guanine-containing tracts in nucleic acids. They comprise a core of stacked guanine-quartets linked by loops of length and sequence that vary with the context in which the quadruplex sequence occurs. Such sequences can be found in a number of genomic environments; at the telomeric ends of eukaryotic chromosomes, in promoter regions, in untranslated sequences and in open reading frames. Quadruplex formation can inhibit telomere maintenance, transcription and translation, especially when enhanced by quadruplex-binding small molecules, and quadruplex targeting is currently of considerable interest. The available experimental structural data shows that quadruplexes can have high conformational flexibility, especially in loop regions, which has hampered attempts to use high-throughput docking to find quadruplex-binding small-molecules with new scaffolds or to optimize existing ones with structure-based design methods. An approach to overcome the challenge of quadruplex conformational flexibility is presented here, which uses a combined multiple molecular dynamics and sampling approach. Two test small molecules have been used, RHPS4 and pyridostatin, which themselves have contrasting degrees of conformational flexibility.

  3. Beyond traffic depiction: conformally integrating the conflict space to support Level 3 situation awareness

    NASA Astrophysics Data System (ADS)

    Tadema, Jochum; Theunissen, Erik; Kirk, Kevin M.

    2010-04-01

    The research described in this paper explores the addition of conformally integrated traffic probes into an egocentric Synthetic Vision (SV) Primary Flight Display (PFD). The underlying thought is that, although the traffic that is predicted to cause a future loss of separation may not lie within the field of view of the display, the location where the loss of separation is predicted to occur always will. Hence, rather than focusing on the depiction of traffic, which contributes to level 2 Situation Awareness (SA), the concept pursues spatially integrated depiction of the airspace where a loss of separation is predicted. This provides readily actionable conflict information, relieving pilots from the traffic position and conflict estimation task and contributing to level 3 SA. The paper describes the integration of the data from the traffic probe into an SV PFD. The advantages of the concept will be illustrated using several traffic conflict scenarios, including an overtaking scenario involving unmanned aircraft. Given that unmanned aircraft may be markedly slower than manned aircraft which operate within the same airspace, a spatially integrated depiction of airspace where a future loss of separation is predicted, can help to preserve safety in classes of airspace that accommodate both manned and unmanned aircraft. Additionally, examples are provided illustrating how traffic probes can support pilots in monitoring the conformance of traffic to the priority rules of 14 CFR 91.113.

  4. A note on classification of teleparallel conformal symmetries in non-static plane symmetric space-times in the teleparallel theory of gravitation using diagonal tetrads

    NASA Astrophysics Data System (ADS)

    Shabbir, Ghulam; Khan, Alamgeer; Amer Qureshi, M.; Kara, A. H.

    2016-02-01

    In this paper, we explore teleparallel conformal vector fields in non-static plane symmetric space-times in the teleparallel theory of gravitation using the direct integration technique and diagonal tetrads. This study will also cover the static plane symmetric space-times as well. In the teleparallel theory curvature of the non-static plane symmetric space-times is zero and the presence of torsion allows more symmetries. In this study after solving the integrabilty conditions it turns out that the dimension of teleparallel conformal vector fields are 5, 6, 7 or 8.

  5. Astronaut Ross Approaches Assembly Concept for Construction of Erectable Space Structure (ACCESS)

    NASA Technical Reports Server (NTRS)

    1999-01-01

    The crew assigned to the STS-61B mission included Bryan D. O'Conner, pilot; Brewster H. Shaw, commander; Charles D. Walker, payload specialist; mission specialists Jerry L. Ross, Mary L. Cleave, and Sherwood C. Spring; and Rodolpho Neri Vela, payload specialist. Launched aboard the Space Shuttle Atlantis November 28, 1985 at 7:29:00 pm (EST), the STS-61B mission's primary payload included three communications satellites: MORELOS-B (Mexico); AUSSAT-2 (Australia); and SATCOM KU-2 (RCA Americom). Two experiments were conducted to test assembling erectable structures in space: EASE (Experimental Assembly of Structures in Extravehicular Activity), and ACCESS (Assembly Concept for Construction of Erectable Space Structure). In a joint venture between NASA/Langley Research Center in Hampton, Virginia, and the Marshall Space Flight Center (MSFC), EASE and ACCESS were developed and demonstrated at MSFC's Neutral Buoyancy Simulator (NBS). In this STS-61B onboard photo, astronaut Ross, perched on the Manipulator Foot Restraint (MFR) approaches the erected ACCESS. The primary objective of these experiments was to test the structural assembly concepts for suitability as the framework for larger space structures and to identify ways to improve the productivity of space construction.

  6. Ross Works on the Assembly Concept for Construction of Erectable Space Structure (ACCESS) During

    NASA Technical Reports Server (NTRS)

    1985-01-01

    The crew assigned to the STS-61B mission included Bryan D. O'Conner, pilot; Brewster H. Shaw, commander; Charles D. Walker, payload specialist; mission specialists Jerry L. Ross, Mary L. Cleave, and Sherwood C. Spring; and Rodolpho Neri Vela, payload specialist. Launched aboard the Space Shuttle Atlantis November 28, 1985 at 7:29:00 pm (EST), the STS-61B mission's primary payload included three communications satellites: MORELOS-B (Mexico); AUSSAT-2 (Australia); and SATCOM KU-2 (RCA Americom). Two experiments were conducted to test assembling erectable structures in space: EASE (Experimental Assembly of Structures in Extravehicular Activity), and ACCESS (Assembly Concept for Construction of Erectable Space Structure). In a joint venture between NASA/Langley Research Center in Hampton, Virginia, and the Marshall Space Flight Center (MSFC), EASE and ACCESS were developed and demonstrated at MSFC's Neutral Buoyancy Simulator (NBS). In this STS-61B onboard photo, astronaut Ross works on ACCESS high above the orbiter. The primary objective of these experiments was to test the structural assembly concepts for suitability as the framework for larger space structures and to identify ways to improve the productivity of space construction.

  7. Spaces for Change: Gender and Technology Access in Collaborative Software Design.

    ERIC Educational Resources Information Center

    Ching, Cynthia Carter; Kafai, Yasmin B.; Marshall, Sue K.

    2000-01-01

    Examines a three-month software design activity in which mixed teams of girls and boys designed and implemented multimedia astronomy resources for younger students. Finds that the configuration of social, physical, and cognitive spaces in the project environment contributed to a positive change in girls' level of access. Discusses implications for…

  8. Nanotube structures, methods of making nanotube structures, and methods of accessing intracellular space

    DOEpatents

    VanDersarl, Jules J.; Xu, Alexander M.; Melosh, Nicholas A.; Tayebi, Noureddine

    2016-02-23

    In accordance with the purpose(s) of the present disclosure, as embodied and broadly described herein, embodiments of the present disclosure, in one aspect, relate to methods of making a structure including nanotubes, a structure including nanotubes, methods of delivering a fluid to a cell, methods of removing a fluid to a cell, methods of accessing intracellular space, and the like.

  9. The torsion space nucleic acids molecular mechanics program DUPLEX: Surveying conformation space by potential energy minimization. Progress report

    SciTech Connect

    Hingerty, B.E.; Broyde, S.

    1993-11-01

    It has been 21 years since the inception of the program DUPLEX. Now that ``molecular modeling`` (encompassing quantum mechanics, molecular mechanics and dynamics, and computer graphics) has become something of a trade, the time seems ripe for us to offer a brief perspective of our efforts since the beginnings of the field. The purpose in writing the program was to solve the crystal structure of Ca{sup +2}-GpC, an RNA subunit for which x-ray diffraction data had been collected by T. Sato. No trial structure was available to aid in solving the phase problem in the Fall of 1972 and we hoped to generate one by potential energy minimization. We hoped to compute not only the conformation of the GpC molecule, but also its packing scheme in the unit cell, a feat that had never before been performed for a nucleic acid subunit. Indeed, only one dinucleoside monophosphate crystal structure, that of UpA, had been previously solved and its structure was very different from that of GpC.

  10. Making Astronomy and Space Science Accessible to the Blind and Visually Impaired

    NASA Astrophysics Data System (ADS)

    Beck-Winchatz, B.; Hoette, V.; Grice, N.

    2003-12-01

    One of the biggest obstacles blind and visually impaired people face in science is the ubiquity of important graphical information, which is generally not made available in alternate formats accessible to them. Funded by NASA's Initiative to Develop Education through Astronomy and Space Science (IDEAS), we have recently formed a team of scientists and educators from universities, the SOFIA NASA mission, a science museum, an observatory, and schools for the blind. Our goal is to develop and test Braille/tactile space science activities that actively engage students from elementary grades through introductory college-level in space science. We will discuss effective strategies and low-cost technologies that can be used to make graphical information accessible. We will also demonstrate examples, such a thermal expansion graphics created from telescope images of the Moon and other celestial objects, a tactile planisphere, three-dimensional models of near-Earth asteroids and tactile diagrams of their orbits, and an infrared detector activity.

  11. Efficient sampling of protein conformational space using fast loop building and batch minimization on highly parallel computers.

    PubMed

    Tyka, Michael D; Jung, Kenneth; Baker, David

    2012-12-01

    All-atom sampling is a critical and compute-intensive end stage to protein structural modeling. Because of the vast size and extreme ruggedness of conformational space, even close to the native structure, the high-resolution sampling problem is almost as difficult as predicting the rough fold of a protein. Here, we present a combination of new algorithms that considerably speed up the exploration of very rugged conformational landscapes and are capable of finding heretofore hidden low-energy states. The algorithm is based on a hierarchical workflow and can be parallelized on supercomputers with up to 128,000 compute cores with near perfect efficiency. Such scaling behavior is notable, as with Moore's law continuing only in the number of cores per chip, parallelizability is a critical property of new algorithms. Using the enhanced sampling power, we have uncovered previously invisible deficiencies in the Rosetta force field and created an extensive decoy training set for optimizing and testing force fields. PMID:22847521

  12. Test of the Anti-de Sitter-Space/Conformal-Field-Theory Correspondence Using High-Spin Operators

    SciTech Connect

    Benna, M. K.; Benvenuti, S.; Klebanov, I. R.; Scardicchio, A.

    2007-03-30

    In two remarkable recent papers the planar perturbative expansion was proposed for the universal function of the coupling appearing in the dimensions of high-spin operators of the N=4 super Yang-Mills theory. We study numerically the integral equation derived by Beisert, Eden, and Staudacher, which resums the perturbative series. In a confirmation of the anti-de Sitter-space/conformal-field-theory (AdS/CFT) correspondence, we find a smooth function whose two leading terms at strong coupling match the results obtained for the semiclassical folded string spinning in AdS{sub 5}. We also make a numerical prediction for the third term in the strong coupling series.

  13. Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.

    PubMed

    Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo

    2016-04-01

    Utilizing molecular conformation as a controlling factor, epoxide-containing 2-aryl-piperidines can be ring-opened with the reagent combination of tetrabutylammonium fluoride (TBAF) and potassium bifluoride (KHF2) in a regioselective and divergent fashion. Four different types of hydroxylated fluoro-piperidines, valuable building blocks in drug development, were readily synthesized using this method. The basic nature of the reagent combination allowed a one-pot deprotection/ring opening process, which increased the efficacy of this transformation.

  14. The Road from the NASA Access to Space Study to a Reusable Launch Vehicle

    NASA Technical Reports Server (NTRS)

    Powell, Richard W.; Cook, Stephen A.; Lockwood, Mary Kae

    1998-01-01

    NASA is cooperating with the aerospace industry to develop a space transportation system that provides reliable access-to-space at a much lower cost than is possible with today's launch vehicles. While this quest has been on-going for many years it received a major impetus when the U.S. Congress mandated as part of the 1993 NASA appropriations bill that: "In view of budget difficulties, present and future..., the National Aeronautics and Space Administration shall ... recommend improvements in space transportation." NASA, working with other organizations, including the Department of Transportation, and the Department of Defense identified three major transportation architecture options that were to be evaluated in the areas of reliability, operability and cost. These architectural options were: (1) retain and upgrade the Space Shuttle and the current expendable launch vehicles; (2) develop new expendable launch vehicles using conventional technologies and transition to these new vehicles beginning in 2005; and (3) develop new reusable vehicles using advanced technology, and transition to these vehicles beginning in 2008. The launch needs mission model was based on 1993 projections of civil, defense, and commercial payload requirements. This "Access to Space" study concluded that the option that provided the greatest potential for meeting the cost, operability, and reliability goals was a rocket-powered single-stage-to-orbit fully reusable launch vehicle (RLV) fleet designed with advanced technologies.

  15. The ESPAS e-infrastructure: Access to data from near-Earth space

    NASA Astrophysics Data System (ADS)

    Belehaki, Anna; James, Sarah; Hapgood, Mike; Ventouras, Spiros; Galkin, Ivan; Lembesis, Antonis; Tsagouri, Ioanna; Charisi, Anna; Spogli, Luca; Berdermann, Jens; Häggström, Ingemar

    2016-10-01

    ESPAS, the "near-Earth space data infrastructure for e-science" is a data e-infrastructure facilitating discovery and access to observations, ground-based and space borne, and to model predictions of the near-Earth space environment, a region extending from the Earth's atmosphere up to the outer radiation belts. ESPAS provides access to metadata and/or data from an extended network of data providers distributed globally. The interoperability of the heterogeneous data collections is achieved with the adoption and adaption of the ESPAS data model which is built entirely on ISO 19100 series geographic information standards. The ESPAS data portal manages a vocabulary of space physics keywords that can be used to narrow down data searches to observations of specific physical content. Such content-targeted search is an ESPAS innovation provided in addition to the commonly practiced data selection by time, location, and instrument. The article presents an overview of the architectural design of the ESPAS system, of its data model and ontology, and of interoperable services that allow the discovery, access and download of registered data. Emphasis is given to the standardization, and expandability concepts which represent also the main elements that support the building of long-term sustainability activities of the ESPAS e-infrastructure.

  16. URSA MAIOR: a One Liter Nanosatellite Bus for Low Cost Access to Space

    NASA Astrophysics Data System (ADS)

    Santoni, F.

    One of the main limitations in the access to space for developing countries is the economical effort typically required by space missions. Secondly, space activity is a field of very high technology, requiring technical skills, education and practice, at a level which is seldom reached by developing countries. Interventions aimed to facilitate access to space for developing countries should be focussed primarily on the missions allowing access to space at reasonable cost. Moreover, perhaps more importantly, they should emphasize conducting the mission design, construction, ground testing and operation in orbit as an open activity, accessible to developing countries personnel, in order to set up an education process, which is not just selling a product ready satellite. Universities could have a very important role in this activity. Many Universities around the world have designed, built and launched small satellites. Università di Roma "La Sapienza" set up a program for the construction of small satellites in an academic environment, involving directly the students in the design, construction, ground testing and operation in orbit. The first satellite built in the framework of this program, UNISAT, was successfully launched in September 2000. The second, UNISAT-2, initially scheduled for launch in 2001, has been delayed by the launch provider to late 2002. These two satellites, based on a modular design, emphasizing ease of construction and assembly, weight roughly 10 kg. The realization of these satellites was made possible within the regular financing given to university research programs, keeping down cost by the use of commercial off the shelf components instead of space rated ones. The microsatellite experience at Università di Roma "La Sapienza", is going further with the development of a new nanosatellite bus, URSA MAIOR (Università di Roma "la SApienza" Micro Autonomous Imager in ORbit), aiming at cutting down cost and possibly improving performance. The

  17. Random Access Frames (RAF): Alternative to Rack and Standoff for Deep Space Habitat Outfitting

    NASA Technical Reports Server (NTRS)

    Howe, A. Scott; Polit-Casillas, Raul

    2014-01-01

    A modular Random Access Frame (RAF) system is proposed as an alternative to the International Standard Payload Rack (ISPR) for internal module layout and outfitting in a Deep Space Habitat (DSH). The ISPR approach was designed to allow for efficient interchangeability of payload and experiments for the International Space Station (ISS) when frequent resupply missions were available (particularly the now-retired Space Shuttle). Though the standard interface approach to the ISPR system allowed integration of subsystems and hardware from a variety of sources and manufacturers, the heavy rack and standoff approach may not be appropriate when resupply or swap-out capabilities are not available, such as on deep space, long-duration missions. The lightweight RAF concept can allow a more dense packing of stowage and equipment, and may be easily broken down for repurposing or reuse. Several example layouts and workstations are presented.

  18. Conformationally Constrained Histidines in the Design of Peptidomimetics: Strategies for the χ-Space Control

    PubMed Central

    Stefanucci, Azzurra; Pinnen, Francesco; Feliciani, Federica; Cacciatore, Ivana; Lucente, Gino; Mollica, Adriano

    2011-01-01

    A successful design of peptidomimetics must come to terms with χ-space control. The incorporation of χ-space constrained amino acids into bioactive peptides renders the χ1 and χ2 torsional angles of pharmacophore amino acids critical for activity and selectivity as with other relevant structural features of the template. This review describes histidine analogues characterized by replacement of native α and/or β-hydrogen atoms with alkyl substituents as well as analogues with α, β-didehydro unsaturation or Cα-Cβ cyclopropane insertion (ACC derivatives). Attention is also dedicated to the relevant field of β-aminoacid chemistry by describing the synthesis of β2- and β3-models (β-hHis). Structural modifications leading to cyclic imino derivatives such as spinacine, aza-histidine and analogues with shortening or elongation of the native side chain (nor-histidine and homo-histidine, respectively) are also described. Examples of the use of the described analogues to replace native histidine in bioactive peptides are also given. PMID:21686155

  19. Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm.

    PubMed

    Clausen, Rudy; Ma, Buyong; Nussinov, Ruth; Shehu, Amarda

    2015-09-01

    An important goal in molecular biology is to understand functional changes upon single-point mutations in proteins. Doing so through a detailed characterization of structure spaces and underlying energy landscapes is desirable but continues to challenge methods based on Molecular Dynamics. In this paper we propose a novel algorithm, SIfTER, which is based instead on stochastic optimization to circumvent the computational challenge of exploring the breadth of a protein's structure space. SIfTER is a data-driven evolutionary algorithm, leveraging experimentally-available structures of wildtype and variant sequences of a protein to define a reduced search space from where to efficiently draw samples corresponding to novel structures not directly observed in the wet laboratory. The main advantage of SIfTER is its ability to rapidly generate conformational ensembles, thus allowing mapping and juxtaposing landscapes of variant sequences and relating observed differences to functional changes. We apply SIfTER to variant sequences of the H-Ras catalytic domain, due to the prominent role of the Ras protein in signaling pathways that control cell proliferation, its well-studied conformational switching, and abundance of documented mutations in several human tumors. Many Ras mutations are oncogenic, but detailed energy landscapes have not been reported until now. Analysis of SIfTER-computed energy landscapes for the wildtype and two oncogenic variants, G12V and Q61L, suggests that these mutations cause constitutive activation through two different mechanisms. G12V directly affects binding specificity while leaving the energy landscape largely unchanged, whereas Q61L has pronounced, starker effects on the landscape. An implementation of SIfTER is made available at http://www.cs.gmu.edu/~ashehu/?q=OurTools. We believe SIfTER is useful to the community to answer the question of how sequence mutations affect the function of a protein, when there is an abundance of experimental

  20. Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm

    PubMed Central

    Clausen, Rudy; Ma, Buyong; Nussinov, Ruth; Shehu, Amarda

    2015-01-01

    An important goal in molecular biology is to understand functional changes upon single-point mutations in proteins. Doing so through a detailed characterization of structure spaces and underlying energy landscapes is desirable but continues to challenge methods based on Molecular Dynamics. In this paper we propose a novel algorithm, SIfTER, which is based instead on stochastic optimization to circumvent the computational challenge of exploring the breadth of a protein’s structure space. SIfTER is a data-driven evolutionary algorithm, leveraging experimentally-available structures of wildtype and variant sequences of a protein to define a reduced search space from where to efficiently draw samples corresponding to novel structures not directly observed in the wet laboratory. The main advantage of SIfTER is its ability to rapidly generate conformational ensembles, thus allowing mapping and juxtaposing landscapes of variant sequences and relating observed differences to functional changes. We apply SIfTER to variant sequences of the H-Ras catalytic domain, due to the prominent role of the Ras protein in signaling pathways that control cell proliferation, its well-studied conformational switching, and abundance of documented mutations in several human tumors. Many Ras mutations are oncogenic, but detailed energy landscapes have not been reported until now. Analysis of SIfTER-computed energy landscapes for the wildtype and two oncogenic variants, G12V and Q61L, suggests that these mutations cause constitutive activation through two different mechanisms. G12V directly affects binding specificity while leaving the energy landscape largely unchanged, whereas Q61L has pronounced, starker effects on the landscape. An implementation of SIfTER is made available at http://www.cs.gmu.edu/~ashehu/?q=OurTools. We believe SIfTER is useful to the community to answer the question of how sequence mutations affect the function of a protein, when there is an abundance of experimental

  1. Improving access to space weather data via workflows and web services

    NASA Astrophysics Data System (ADS)

    Sundaravel, Anu Swapna

    The Space Physics Interactive Data Resource (SPIDR) is a web-based interactive tool developed by NOAA's National Geophysical Data Center to provide access to historical space physics datasets. These data sets are widely used by physicists for space weather modeling and predictions. Built on a distributed network of databases and application servers, SPIDR offers services in two ways: via a web page interface and via a web service interface. SPIDR exposes several SOAP-based web services that client applications implement to connect to a number of data sources for data download and processing. At present, the usage of the web services has been difficult, adding unnecessary complexity to client applications and inconvenience to the scientists who want to use these datasets. The purpose of this study focuses on improving SPIDR's web interface to better support data access, integration and display. This is accomplished in two ways: (1) examining the needs of scientists to better understand what web services they require to better access and process these datasets and (2) developing a client application to support SPIDR's SOAP-based services using the Kepler scientific workflow system. To this end, we identified, designed and developed several web services for filtering the existing datasets and created several Kepler workflows to automate routine tasks associated with these datasets. These workflows are a part of the custom NGDC build of the Kepler tool. Scientists are already familiar with Kepler due to its extensive use in this domain. As a result, this approach provides them with tools that are less daunting than raw web services and ultimately more useful and customizable. We evaluated our work by interviewing various scientists who make use of SPIDR and having them use the developed Kepler workflows while recording their feedback and suggestions. Our work has improved SPIDR such that new web services are now available and scientists have access to a desktop

  2. Conformational disorder of proteins assessed by real-space molecular dynamics refinement.

    PubMed Central

    Chen, Z; Chapman, M S

    2001-01-01

    Motion is critical to the function of many proteins, but much more difficult to study than structure. Due to lack of easy alternatives, although there are inherent limitations, there have been several prior attempts to extract some information from the Bragg scattering in conventional diffraction patterns. Bragg diffraction reflects only a small proportion of a protein's motion and disorder, so fitted values likely underestimate reality. However, this work shows that the fitted estimates should be even smaller, because current methods of refinement over-fit the Bragg diffraction, leading to a component of the disorder that is not based on any experimental data, and could be characterized as a guess. Real-space refinement is less susceptible than other methods, but its application depends on the availability of very accurate experimental phases. A future challenge will be the collection of such data without resort to cryo-techniques, so that a physiologically relevant understanding can be achieved. PMID:11222306

  3. Exploring the Unknown: Selected Documents in the History of the U.S. Civil Space Program. Volume 4; Accessing Space

    NASA Technical Reports Server (NTRS)

    Logsdon, John M. (Editor); Williamson, Ray A. (Editor); Launius, Roger D. (Editor); Acker, Russell J. (Editor); Garber, Stephen J. (Editor); Friedman, Jonathan L. (Editor)

    1999-01-01

    The documents selected for inclusion in this volume are presented in four major chapters, each covering a particular aspect of access to space and the manner in which it has developed over time. These chapters focus on the evolution toward the giant Saturn V rocket, the development of the Space Shuttle, space transportation commercialization, and future space transportation possibilities. Each chapter in this volume is introduced by an overview essay, prepared by individuals who are particularly well qualified to write on the topic. In the main, these essays are intended to introduce and complement the documents in the chapter and to place them, for the most part, in a chronological and substantive context. Each essay contains references to the documents in the chapter it introduces, and many also contain references to documents in other chapters of the collection. These introductory essays are the responsibility of their individual authors, and the views and conclusions contained therein do not necessarily represent the opinions of either George Washington University or NASA.

  4. URSA MAIOR: a One Liter Nanosatellite Bus for Low Cost Access to Space

    NASA Astrophysics Data System (ADS)

    Santoni, F.

    One of the main limitations in the access to space for developing countries is the economical effort typically required by space missions. Secondly, space activity is a field of very high technology, requiring technical skills, education and practice, at a level which is seldom reached by developing countries. Interventions aimed to facilitate access to space for developing countries should be focussed primarily on the missions allowing access to space at reasonable cost. Moreover, perhaps more importantly, they should emphasize conducting the mission design, construction, ground testing and operation in orbit as an open activity, accessible to developing countries personnel, in order to set up an education process, which is not just selling a product ready satellite. Universities could have a very important role in this activity. Many Universities around the world have designed, built and launched small satellites. Università di Roma "La Sapienza" set up a program for the construction of small satellites in an academic environment, involving directly the students in the design, construction, ground testing and operation in orbit. The first satellite built in the framework of this program, UNISAT, was successfully launched in September 2000. The second, UNISAT-2, initially scheduled for launch in 2001, has been delayed by the launch provider to late 2002. These two satellites, based on a modular design, emphasizing ease of construction and assembly, weight roughly 10 kg. The realization of these satellites was made possible within the regular financing given to university research programs, keeping down cost by the use of commercial off the shelf components instead of space rated ones. The microsatellite experience at Università di Roma "La Sapienza", is going further with the development of a new nanosatellite bus, URSA MAIOR (Università di Roma "la SApienza" Micro Autonomous Imager in ORbit), aiming at cutting down cost and possibly improving performance. The

  5. A new open-source Python-based Space Weather data access, visualization, and analysis toolkit

    NASA Astrophysics Data System (ADS)

    de Larquier, S.; Ribeiro, A.; Frissell, N. A.; Spaleta, J.; Kunduri, B.; Thomas, E. G.; Ruohoniemi, J.; Baker, J. B.

    2013-12-01

    Space weather research relies heavily on combining and comparing data from multiple observational platforms. Current frameworks exist to aggregate some of the data sources, most based on file downloads via web or ftp interfaces. Empirical models are mostly fortran based and lack interfaces with more useful scripting languages. In an effort to improve data and model access, the SuperDARN community has been developing a Python-based Space Science Data Visualization Toolkit (DaViTpy). At the center of this development was a redesign of how our data (from 30 years of SuperDARN radars) was made available. Several access solutions are now wrapped into one convenient Python interface which probes local directories, a new remote NoSQL database, and an FTP server to retrieve the requested data based on availability. Motivated by the efficiency of this interface and the inherent need for data from multiple instruments, we implemented similar modules for other space science datasets (POES, OMNI, Kp, AE...), and also included fundamental empirical models with Python interfaces to enhance data analysis (IRI, HWM, MSIS...). All these modules and more are gathered in a single convenient toolkit, which is collaboratively developed and distributed using Github and continues to grow. While still in its early stages, we expect this toolkit will facilitate multi-instrument space weather research and improve scientific productivity.

  6. The Ares I Crew Launch Vehicle: Human Space Access for the Moon and Beyond

    NASA Technical Reports Server (NTRS)

    Cook, Stephen A.

    2008-01-01

    The National Aeronautics and Space Administration (NASA)'s Constellation Program is depending on the Ares Projects to deliver the crew launch capabilities needed to send human explorers to the Moon and beyond. The Ares Projects continue to make progress toward design, component testing, and early flight testing of the Ares I crew launch vehicle (Figure 1), the United States first new human-rated launch vehicle in over 25 years. Ares I will provide the core space launch capabilities the United States needs to continue providing crew and cargo access to the International Space Station (ISS), maintaining the U.S. pioneering tradition as a spacefaring nation, and enabling cooperative international ventures to the Moon and beyond. This paper will discuss programmatic, design, fabrication, and testing progress toward building this new launch vehicle.

  7. Accessing space: A catalogue of process, equipment and resources for commercial users

    NASA Technical Reports Server (NTRS)

    1988-01-01

    This catalogue, produced by NASA's Office of Commercial Programs, provides a broad source of information for the commercial developer interested in the areas of microgravity research and remote sensing. Methods for accessing space for research are reviewed including the shuttle, expendable launch vehicles, suborbital sounding rockets, experimental aircraft, and drop towers and other ground-based facilities. Procedures for using these vehicles and facilities are described along with funding options to pay for their use. Experiment apparatus and carriers for microgravity research are also described. A separate directory of resources and services is also included which contains a listing of transportation products and services, a listing of businesses and industries which provide space-related services and products, and a listing of the NASA and CCDS (Center for the Commercial Development of Space) points of contact.

  8. 41 CFR 102-79.65 - May Executive agencies outlease space on major public access levels, courtyards and rooftops of...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false May Executive agencies outlease space on major public access levels, courtyards and rooftops of public buildings? 102-79.65... Utilization of Space Outleasing § 102-79.65 May Executive agencies outlease space on major public...

  9. 41 CFR 102-79.65 - May Executive agencies outlease space on major public access levels, courtyards and rooftops of...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false May Executive agencies outlease space on major public access levels, courtyards and rooftops of public buildings? 102-79.65... Utilization of Space Outleasing § 102-79.65 May Executive agencies outlease space on major public...

  10. Access to green space, physical activity and mental health: a twin study

    PubMed Central

    Cohen-Cline, Hannah; Turkheimer, Eric; Duncan, Glen E

    2015-01-01

    Background Increasing global urbanisation has resulted in a greater proportion of the world’s population becoming exposed to risk factors unique to urban areas, and understanding these effects on public health is essential. The aim of this study was to examine the association between access to green space and mental health among adult twin pairs. Methods We used a multilevel random intercept model of same-sex twin pairs (4338 individuals) from the community-based University of Washington Twin Registry to analyse the association between access to green space, as measured by the Normalised Difference Vegetation Index and self-reported depression, stress, and anxiety. The main parameter of interest was the within-pair effect for identical (monozygotic, MZ) twins because it was not subject to confounding by genetic or shared childhood environment factors. Models were adjusted for income, physical activity, neighbourhood deprivation and population density. Results When treating twins as individuals and not as members of a twin pair, green space was significantly inversely associated with each mental health outcome. The association with depression remained significant in the within-pair MZ univariate and adjusted models; however, there was no within-pair MZ effect for stress or anxiety among the models adjusted for income and physical activity. Conclusions These results suggest that greater access to green space is associated with less depression, but provide less evidence for effects on stress or anxiety. Understanding the mechanisms linking neighbourhood characteristics to mental health has important public health implications. Future studies should combine twin designs and longitudinal data to strengthen causal inference. PMID:25631858

  11. Interoperative fundus image and report sharing in compliance with integrating the healthcare enterprise conformance and web access to digital imaging and communication in medicine persistent object protocol

    PubMed Central

    Wu, Hui-Qun; Lv, Zheng-Min; Geng, Xing-Yun; Jiang, Kui; Tang, Le-Min; Zhou, Guo-Min; Dong, Jian-Cheng

    2013-01-01

    AIM To address issues in interoperability between different fundus image systems, we proposed a web eye-picture archiving and communication system (PACS) framework in conformance with digital imaging and communication in medicine (DICOM) and health level 7 (HL7) protocol to realize fundus images and reports sharing and communication through internet. METHODS Firstly, a telemedicine-based eye care work flow was established based on integrating the healthcare enterprise (IHE) Eye Care technical framework. Then, a browser/server architecture eye-PACS system was established in conformance with the web access to DICOM persistent object (WADO) protocol, which contains three tiers. RESULTS In any client system installed with web browser, clinicians could log in the eye-PACS to observe fundus images and reports. Multipurpose internet mail extensions (MIME) type of a structured report is saved as pdf/html with reference link to relevant fundus image using the WADO syntax could provide enough information for clinicians. Some functions provided by open-source Oviyam could be used to query, zoom, move, measure, view DICOM fundus images. CONCLUSION Such web eye-PACS in compliance to WADO protocol could be used to store and communicate fundus images and reports, therefore is of great significance for teleophthalmology. PMID:24392341

  12. Ethernet access network based on free-space optic deployment technology

    NASA Astrophysics Data System (ADS)

    Gebhart, Michael; Leitgeb, Erich; Birnbacher, Ulla; Schrotter, Peter

    2004-06-01

    The satisfaction of all communication needs from single households and business companies over a single access infrastructure is probably the most challenging topic in communications technology today. But even though the so-called "Last Mile Access Bottleneck" is well known since more than ten years and many distribution technologies have been tried out, the optimal solution has not yet been found and paying commercial access networks offering all service classes are still rare today. Conventional services like telephone, radio and TV, as well as new and emerging services like email, web browsing, online-gaming, video conferences, business data transfer or external data storage can all be transmitted over the well known and cost effective Ethernet networking protocol standard. Key requirements for the deployment technology driven by the different services are high data rates to the single customer, security, moderate deployment costs and good scalability to number and density of users, quick and flexible deployment without legal impediments and high availability, referring to the properties of optical and wireless communication. We demonstrate all elements of an Ethernet Access Network based on Free Space Optic distribution technology. Main physical parts are Central Office, Distribution Network and Customer Equipment. Transmission of different services, as well as configuration, service upgrades and remote control of the network are handled by networking features over one FSO connection. All parts of the network are proven, the latest commercially available technology. The set up is flexible and can be adapted to any more specific need if required.

  13. An Indoor Space Partition Method and its Fingerprint Positioning Optimization Considering Pedestrian Accessibility

    NASA Astrophysics Data System (ADS)

    Xu, Yue; Shi, Yong; Zheng, Xingyu; Long, Yi

    2016-06-01

    Fingerprint positioning method is generally the first choice in indoor navigation system due to its high accuracy and low cost. The accuracy depends on partition density to the indoor space. The accuracy will be higher with higher grid resolution. But the high grid resolution leads to significantly increasing work of the fingerprint data collection, processing and maintenance. This also might decrease the performance, portability and robustness of the navigation system. Meanwhile, traditional fingerprint positioning method use equational grid to partition the indoor space. While used for pedestrian navigation, sometimes a person can be located at the area where he or she cannot access. This paper studied these two issues, proposed a new indoor space partition method considering pedestrian accessibility, which can increase the accuracy of pedestrian position, and decrease the volume of the fingerprint data. Based on this proposed partition method, an optimized algorithm for fingerprint position was also designed. A across linker structure was used for fingerprint point index and matching. Experiment based on the proposed method and algorithm showed that the workload of fingerprint collection and maintenance were effectively decreased, and poisoning efficiency and accuracy was effectively increased

  14. Virtual Mission Operations of Remote Sensors With Rapid Access To and From Space

    NASA Technical Reports Server (NTRS)

    Ivancic, William D.; Stewart, Dave; Walke, Jon; Dikeman, Larry; Sage, Steven; Miller, Eric; Northam, James; Jackson, Chris; Taylor, John; Lynch, Scott; Heberle, Jay

    2010-01-01

    This paper describes network-centric operations, where a virtual mission operations center autonomously receives sensor triggers, and schedules space and ground assets using Internet-based technologies and service-oriented architectures. For proof-of-concept purposes, sensor triggers are received from the United States Geological Survey (USGS) to determine targets for space-based sensors. The Surrey Satellite Technology Limited (SSTL) Disaster Monitoring Constellation satellite, the United Kingdom Disaster Monitoring Constellation (UK-DMC), is used as the space-based sensor. The UK-DMC s availability is determined via machine-to-machine communications using SSTL s mission planning system. Access to/from the UK-DMC for tasking and sensor data is via SSTL s and Universal Space Network s (USN) ground assets. The availability and scheduling of USN s assets can also be performed autonomously via machine-to-machine communications. All communication, both on the ground and between ground and space, uses open Internet standards.

  15. Space environment data storage and access: lessons learned and recommendations for the future

    NASA Astrophysics Data System (ADS)

    Evans, Hugh; Heynderickx, Daniel

    2012-07-01

    With the ever increasing volume of space environment data available at present and planned for the near future, the demands on data storage and access methods are increasing as well. In addition, continued access to historical, archived data remains crucial. On the basis of many years of experience, the authors identify the following issues as important for continued and efficient handling of datasets now and in the future: The huge data volumes currently or very soon avaiable from a number of space missions will limi direct Internet download access to even relatively short epoch ranges of data. Therefore, data providers should establish or extend standardised data (post-) processing services so that only data query results should be downloaded. Although a single standardised data format will in all likelihood remain utopia, data providers should at least include extensive metadata with their data products, according to established standards and practices (e.g. ISTP, SPASE). Standardisation of (sets of) metadata greatly facilitates data mining and querying. The use of SQL database storage should be considered instead of, or in parallel with, classic storage of data files. The use of SQL does away with having to handle file parsing and processing, while at the same time standard access protocols can be used to (remotely) connect to such data repositories. Many data holdings are still lacking in extensive descriptions of data provenance (e.g. instrument description), content and format. Unfortunately, detailed data information is usually rejected by scientific and technical journals. Re-processing of historical archived datasets into modern formats, making them easily available and usable, is urgently required, as knowledge is being lost. A global data directory has still not been achieved; policy makers should enforce stricter rules for "broadcasting" dataset information.

  16. ESPAS: the European e-science platform to access near-Earth space data (Invited)

    NASA Astrophysics Data System (ADS)

    Belehaki, A.; Hapgood, M. A.; Ritschel, B.; Manola, N.

    2013-12-01

    The aim of ESPAS platform is to integrate heterogeneous data from the earth's thermosphere, ionosphere, plasmasphere and magnetosphere. ESPAS supports the systematic exploration of multipoint measurements from the near-Earth space through homogenised access to multi-instrument data. It provides access to more than 40 datasets: Cluster, EISCAT, GIRO, DIAS, SWACI, CHAMP, SuperDARN, FPI, magnetometers INGV, SGO, DTU, IMAGE, TGO, IMAGE/RPI, ACE, SOHO, PROBA2, NOAA/POES, etc. The concept of extensibility to new data sets is an important element in the ESPAS architecture. Within the first year of the project, the main components of the system have been developed, namely, the data model, the XML schemas for metadata exchange format, the ontology, the wrapper installed at the data nodes so that the main platform harvest the metadata, the main platform built on the D-NET framework and the GUI with its designed workflows. The first working prototype supports the search for datasets among a selected number of databases (i.e., EDAM, DIAS, Cluster, SWACI data). The next immediate step would be the implementation of search for characteristics within the datasets. For the second release we are planning to deploy tools for conjunctions between ground-space and space-space and for coincidences. For the final phase of the project the ESPAS infrastructure will be extensively tested through the application of several use cases, designed to serve the needs of the wide interdisciplinary users and producers communities, such as the ionospheric, thermospheric, magnetospheric, space weather and space climate communities, the geophysics community, the space communications engineering, HF users, satellite operators, navigation and surveillance systems, and space agencies. The final ESPAS platform is expected to be delivered in 2015. The abstract is submitted on behalf of the ESPAS-FP7EU team (http://www.espas-fp7.eu): Mike Hapgood, Anna Belehaki, Spiros Ventouras, Natalia Manola, Antonis

  17. Conformational behavior of cinchonidine revisited: a combined theoretical and experimental study.

    PubMed

    Urakawa, Atsushi; Meier, Daniel M; Rüegger, Heinz; Baiker, Alfons

    2008-08-01

    Conformational space of cinchonidine has been explored by means of ab initio potential and free energy surfaces, and the temperature-induced changes of conformational populations were studied by a combined NOESY-DFT analysis. The DFT-derived potential energy surface investigation identified four new conformers. Among them, Closed(7) is substantially relevant to fully understand the conformational behavior. The energy surfaces gave access to the favored transformation pathways at different temperatures (280-320 K). They also revealed the reasons for the negligible presence of energetically stable conformers and explained the experimentally observed temperature dependence of the populations.

  18. Optical Space Communication Technology for Easy Pattern Internet Access Net Building

    NASA Astrophysics Data System (ADS)

    Fujita, Yoshimi

    As a handy optical space communication system which can be used for school Internet access net building. 1) The examination of the irregularity demodulation form. 2) The development of the most reliable technology which realizes long-distance communication by the high trust. 3) The development of the Point to Multi Point (P-MP) machine which it can communicate by at the same time with the several places due to the realization of the multiplex communication technology. 4) Even if a child sees directly, the research and development of the high-speed big capacity technology in the wavelength obi which harm is not in.

  19. DisVis: quantifying and visualizing accessible interaction space of distance-restrained biomolecular complexes

    PubMed Central

    van Zundert, G.C.P.; Bonvin, A.M.J.J.

    2015-01-01

    Summary: We present DisVis, a Python package and command line tool to calculate the reduced accessible interaction space of distance-restrained binary protein complexes, allowing for direct visualization and quantification of the information content of the distance restraints. The approach is general and can also be used as a knowledge-based distance energy term in FFT-based docking directly during the sampling stage. Availability and implementation: The source code with documentation is freely available from https://github.com/haddocking/disvis. Contact: a.m.j.j.bonvin@uu.nl Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26026169

  20. Virtual Observatories for Space Physics Observations and Simulations: New Routes to Efficient Access and Visualization

    NASA Technical Reports Server (NTRS)

    Roberts, Aaron

    2005-01-01

    New tools for data access and visualization promise to make the analysis of space plasma data both more efficient and more powerful, especially for answering questions about the global structure and dynamics of the Sun-Earth system. We will show how new existing tools (particularly the Virtual Space Physics Observatory-VSPO-and the Visual System for Browsing, Analysis and Retrieval of Data-ViSBARD; look for the acronyms in Google) already provide rapid access to such information as spacecraft orbits, browse plots, and detailed data, as well as visualizations that can quickly unite our view of multispacecraft observations. We will show movies illustrating multispacecraft observations of the solar wind and magnetosphere during a magnetic storm, and of simulations of 3 0-spacecraft observations derived from MHD simulations of the magnetosphere sampled along likely trajectories of the spacecraft for the MagCon mission. An important issue remaining to be solved is how best to integrate simulation data and services into the Virtual Observatory environment, and this talk will hopefully stimulate further discussion along these lines.

  1. Analysis of Potential Alternatives to Reduce NASA's Cost of Human Access to Space

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The purpose of this report is to analyze NASA's potential options for significantly reducing the cost of human access to space. The opinions expressed in this report are based on Hawthorne, Krauss & Associates' ("HKA") interaction with NASA and several of its key contractors over the past nine months. This report is not intended to be an exhaustive quantitative analysis of the various options available to NASA. Instead, its purpose is to outline key decision-related issues that the agency should consider prior to making a decision as to which option to pursue. This report attempts to bring a private-sector perspective to bear on the issue of reducing the cost of human access to space. HKA believes that the key to the NASA's success in reducing those costs over the long-term is the involvement of the private-sector incentives and disciplines--which is achieved only through the assumption of risk by the private sector, not through a traditional contractor relationship--is essential to achieve significant long-term cost reductions.

  2. A rapid prototyping/artificial intelligence approach to space station-era information management and access

    NASA Technical Reports Server (NTRS)

    Carnahan, Richard S., Jr.; Corey, Stephen M.; Snow, John B.

    1989-01-01

    Applications of rapid prototyping and Artificial Intelligence techniques to problems associated with Space Station-era information management systems are described. In particular, the work is centered on issues related to: (1) intelligent man-machine interfaces applied to scientific data user support, and (2) the requirement that intelligent information management systems (IIMS) be able to efficiently process metadata updates concerning types of data handled. The advanced IIMS represents functional capabilities driven almost entirely by the needs of potential users. Space Station-era scientific data projected to be generated is likely to be significantly greater than data currently processed and analyzed. Information about scientific data must be presented clearly, concisely, and with support features to allow users at all levels of expertise efficient and cost-effective data access. Additionally, mechanisms for allowing more efficient IIMS metadata update processes must be addressed. The work reported covers the following IIMS design aspects: IIMS data and metadata modeling, including the automatic updating of IIMS-contained metadata, IIMS user-system interface considerations, including significant problems associated with remote access, user profiles, and on-line tutorial capabilities, and development of an IIMS query and browse facility, including the capability to deal with spatial information. A working prototype has been developed and is being enhanced.

  3. Conformal triality of the Kepler problem

    NASA Astrophysics Data System (ADS)

    Cariglia, Marco

    2016-08-01

    We show that the Kepler problem is projectively equivalent to null geodesic motion on the conformal compactification of Minkowski-4 space. This space realises the conformal triality of Minkowski, dS and AdS spaces.

  4. ACCESS - A Science and Engineering Assessment of Space Coronagraph Concepts for the Direct Imaging and Spectroscopy of Exoplanetary Systems

    NASA Technical Reports Server (NTRS)

    Trauger, John

    2008-01-01

    Topics include and overview, science objectives, study objectives, coronagraph types, metrics, ACCESS observatory, laboratory validations, and summary. Individual slides examine ACCESS engineering approach, ACCESS gamut of coronagraph types, coronagraph metrics, ACCESS Discovery Space, coronagraph optical layout, wavefront control on the "level playing field", deformable mirror development for HCIT, laboratory testbed demonstrations, high contract imaging with the HCIT, laboratory coronagraph contrast and stability, model validation and performance predictions, HCIT coronagraph optical layout, Lyot coronagraph on the HCIT, pupil mapping (PIAA), shaped pupils, and vortex phase mask experiments on the HCIT.

  5. Sounding Rockets within Swedish National Balloon and Rocket Programme- Providing Access to Space from Esrange

    NASA Astrophysics Data System (ADS)

    Sjolander, K.; Karlsson, T.; Lockowandt, C.

    2015-09-01

    Initiated in 2012 by the Swedish National Space Board (SNSB), a new programme dedicated for Swedish scientists to gain access to space using balloons and sounding rockets was started. This programme promotes the possibility to ensure continuity in both the science and the technology used. The sounding rocket part of this national programme started with three possible missions. SPIDER (Small Payloads for Investigation of Disturbances in Electrojet by Rockets) from the Space and Plasma physics department of KTH, 0-STATES (Oxygen Species and Thermospheric Airglow in The Earth's Sky) from the Department of Meteorology Stockholm University (MISU) and LEEWAVES (Local Excitation and Effects of Waves on Atmospheric VErtical Structure) that is collaboration between KTH and MISU. These three missions were planned for launches in 2015 and 2016. SSc has been contracted on a launch ticket basis to provide the launch and service to the scientific instrumentation. This paper presents the SPIDER, 0-STATES and LEEWAVES missions focussing on a mission related technical solutions perspective.

  6. Accessing Solar Irradiance Data via LISIRD, the Laboratory for Atmospheric and Space Physics Interactive Solar Irradiance Datacenter

    NASA Astrophysics Data System (ADS)

    Pankratz, C. K.; Wilson, A.; Snow, M. A.; Lindholm, D. M.; Woods, T. N.; Traver, T.; Woodraska, D.

    2015-12-01

    The LASP Interactive Solar Irradiance Datacenter, LISIRD, http://lasp.colorado.edu/lisird, allows the science community and the public to explore and access solar irradiance and related data sets using convenient, interactive or scriptable, standards-based interfaces. LISIRD's interactive plotting allows users to investigate and download irradiance data sets from a variety of sources, including space missions, ground observatories, and modeling efforts. LISIRD's programmatic interfaces allow software-level data retrievals and facilitate automation. This presentation will describe the current state of LISIRD, provide details of the data sets it serves, outline data access methods, identify key technologies in-use, and address other related aspects of serving spectral and other time series data. We continue to improve LISIRD by integrating new data sets, and also by advancing its data management and presentation capabilities to meet evolving best practices and community needs. LISIRD is hosted and operated by the Laboratory for Atmospheric and Space Physics, LASP, which has been a leader in Atmospheric and Heliophysics science for over 60 years. LASP makes a variety of space-based measurements of solar irradiance, which provide crucial input for research and modeling in solar-terrestrial interactions, space physics, planetary, atmospheric, and climate sciences. These data sets consist of fundamental measurements, composite data sets, solar indices, space weather products, and models. Current data sets available through LISIRD originate from the SORCE, SDO (EVE), UARS (SOLSTICE), TIMED (SEE), and SME space missions, as well as several other space and ground-based projects. LISIRD leverages several technologies to provide flexible and standards-based access to the data holdings available through LISIRD. This includes internet-accessible interfaces that permit data access in a variety of formats, data subsetting, as well as program-level access from data analysis

  7. Based on asynchronous communication protocol of geographic space information service access mechanism research

    NASA Astrophysics Data System (ADS)

    Chen, G.; Zhao, J.; Gu, M.; Li, D.

    2014-04-01

    At present, the traditional way of accessing to classified network in geographic spatial information services is using network gatekeeper and firewall etc. to ensure public and classified network communications links. However, the physical isolation between classified network and public network is crossed, which is bound to cause classified network potential security hazard. In Yunnan province space Land dynamic monitoring integration project, it proposed the point to point text message communication protocol and asynchronous transmission mechanism. Using geo-spatial information encryption processing and data compression processing method, it reduced the risk of data sensitivity and monitored, namely to ensure data security, which realized geographic spatial information services data communication effectively between classified network and public network in the rigid field conditions.

  8. The University of Arizona Nanosat Program: Making Space accessible to scientific and commercial packages.

    NASA Astrophysics Data System (ADS)

    Fink, U.; Fevig, R. A.

    2003-05-01

    For the last couple of years we have been engaged in building nanosatellites within a student-mentor framework. The satellites are 10x10x10cm cubes, have a maximum mass of 1 kg, and power of a few watts. The standardized "cube-sat" form factor was suggested by Bob Twiggs of Stanford University so that a common launch platform could be utilized and more Universities could participate. We have now built four "cube-sats': a launchable Engineering model, Rincon 1 & 2, (funded by Rincon corporation), and Alcatel funded by Alcatel Espace. The costs for the four satellites are \\250,000. Launch costs using a Russian SS-18 are typically \\10,000 per kg. The payload for Rincon 1 & 2 is a sophisticated telecommunications board using only 10 mw of transmitting power. The Alcatel payload consists of three communications IC's whose radiation exposure and annealing properties will be studied over a period of years. Future nanosatellites will have considerable value in providing low cost access to space for experiments in nanotechnology, space electronics, micropropulsion, radiation experiments, astrobionics and climate change studies. For the latter area we are considering experiments to monitor the solar constant, the solar UV spectrum, the chromospheric activity through the Mg II index, the Earth's Albedo, etc. For this purpose we are developing a slightly larger satellite, 20x20x20cm and 10 kg. We have built a C-MOS camera with a 1 ms exposure time for attitude determination, and we are working with Honeywell Industries to develop micro-reaction wheels for attitude control. We are also working on micro-propulsion units with the Air Force and several aerospace companies. Preliminary calculations show that we can develop delta-V's of 5km/s which will allow us to visit 5% (about 100) of the NEA population or possibly some comets. We firmly believe a vigorous nanosatellite program will allow useful space experiments for costs of millions of Dollars instead of the present tens of

  9. Group space allowance has little effect on sow health, productivity, or welfare in a free-access stall system

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Free-access stalls allow sows to choose the protection of a stall or use of a shared group space. This study investigated the effect of group space width: 0.91 (SS), 2.13 (IS), and 3.05 (LS) m on the health, production, behavior, and welfare of gestating sows. At gestational day (GD) 35.4 ± 2.3, 21 ...

  10. A prototype computerized synthesis methodology for generic space access vehicle (SAV) conceptual design

    NASA Astrophysics Data System (ADS)

    Huang, Xiao

    2006-04-01

    Today's and especially tomorrow's competitive launch vehicle design environment requires the development of a dedicated generic Space Access Vehicle (SAV) design methodology. A total of 115 industrial, research, and academic aircraft, helicopter, missile, and launch vehicle design synthesis methodologies have been evaluated. As the survey indicates, each synthesis methodology tends to focus on a specific flight vehicle configuration, thus precluding the key capability to systematically compare flight vehicle design alternatives. The aim of the research investigation is to provide decision-making bodies and the practicing engineer a design process and tool box for robust modeling and simulation of flight vehicles where the ultimate performance characteristics may hinge on numerical subtleties. This will enable the designer of a SAV for the first time to consistently compare different classes of SAV configurations on an impartial basis. This dissertation presents the development steps required towards a generic (configuration independent) hands-on flight vehicle conceptual design synthesis methodology. This process is developed such that it can be applied to any flight vehicle class if desired. In the present context, the methodology has been put into operation for the conceptual design of a tourist Space Access Vehicle. The case study illustrates elements of the design methodology & algorithm for the class of Horizontal Takeoff and Horizontal Landing (HTHL) SAVs. The HTHL SAV design application clearly outlines how the conceptual design process can be centrally organized, executed and documented with focus on design transparency, physical understanding and the capability to reproduce results. This approach offers the project lead and creative design team a management process and tool which iteratively refines the individual design logic chosen, leading to mature design methods and algorithms. As illustrated, the HTHL SAV hands-on design methodology offers growth

  11. A Parallel Implementation of the Wuchty Algorithm with Additional Experimental Filters to More Thoroughly Explore RNA Conformational Space

    PubMed Central

    Stone, Jonathan W.; Bleckley, Samuel; Lavelle, Sean; Schroeder, Susan J.

    2015-01-01

    We present new modifications to the Wuchty algorithm in order to better define and explore possible conformations for an RNA sequence. The new features, including parallelization, energy-independent lonely pair constraints, context-dependent chemical probing constraints, helix filters, and optional multibranch loops, provide useful tools for exploring the landscape of RNA folding. Chemical probing alone may not necessarily define a single unique structure. The helix filters and optional multibranch loops are global constraints on RNA structure that are an especially useful tool for generating models of encapsidated viral RNA for which cryoelectron microscopy or crystallography data may be available. The computations generate a combinatorially complete set of structures near a free energy minimum and thus provide data on the density and diversity of structures near the bottom of a folding funnel for an RNA sequence. The conformational landscapes for some RNA sequences may resemble a low, wide basin rather than a steep funnel that converges to a single structure. PMID:25695434

  12. Joint Estimation of 2D-DOA and Frequency Based on Space-Time Matrix and Conformal Array

    PubMed Central

    Wan, Liang-Tian; Liu, Lu-Tao; Si, Wei-Jian; Tian, Zuo-Xi

    2013-01-01

    Each element in the conformal array has a different pattern, which leads to the performance deterioration of the conventional high resolution direction-of-arrival (DOA) algorithms. In this paper, a joint frequency and two-dimension DOA (2D-DOA) estimation algorithm for conformal array are proposed. The delay correlation function is used to suppress noise. Both spatial and time sampling are utilized to construct the spatial-time matrix. The frequency and 2D-DOA estimation are accomplished based on parallel factor (PARAFAC) analysis without spectral peak searching and parameter pairing. The proposed algorithm needs only four guiding elements with precise positions to estimate frequency and 2D-DOA. Other instrumental elements can be arranged flexibly on the surface of the carrier. Simulation results demonstrate the effectiveness of the proposed algorithm. PMID:24453856

  13. Probing RNA Native Conformational Ensembles with Structural Constraints.

    PubMed

    Fonseca, Rasmus; van den Bedem, Henry; Bernauer, Julie

    2016-05-01

    Noncoding ribonucleic acids (RNA) play a critical role in a wide variety of cellular processes, ranging from regulating gene expression to post-translational modification and protein synthesis. Their activity is modulated by highly dynamic exchanges between three-dimensional conformational substates, which are difficult to characterize experimentally and computationally. Here, we present an innovative, entirely kinematic computational procedure to efficiently explore the native ensemble of RNA molecules. Our procedure projects degrees of freedom onto a subspace of conformation space defined by distance constraints in the tertiary structure. The dimensionality reduction enables efficient exploration of conformational space. We show that the conformational distributions obtained with our method broadly sample the conformational landscape observed in NMR experiments. Compared to normal mode analysis-based exploration, our procedure diffuses faster through the experimental ensemble while also accessing conformational substates to greater precision. Our results suggest that conformational sampling with a highly reduced but fully atomistic representation of noncoding RNA expresses key features of their dynamic nature.

  14. Probing RNA Native Conformational Ensembles with Structural Constraints.

    PubMed

    Fonseca, Rasmus; van den Bedem, Henry; Bernauer, Julie

    2016-05-01

    Noncoding ribonucleic acids (RNA) play a critical role in a wide variety of cellular processes, ranging from regulating gene expression to post-translational modification and protein synthesis. Their activity is modulated by highly dynamic exchanges between three-dimensional conformational substates, which are difficult to characterize experimentally and computationally. Here, we present an innovative, entirely kinematic computational procedure to efficiently explore the native ensemble of RNA molecules. Our procedure projects degrees of freedom onto a subspace of conformation space defined by distance constraints in the tertiary structure. The dimensionality reduction enables efficient exploration of conformational space. We show that the conformational distributions obtained with our method broadly sample the conformational landscape observed in NMR experiments. Compared to normal mode analysis-based exploration, our procedure diffuses faster through the experimental ensemble while also accessing conformational substates to greater precision. Our results suggest that conformational sampling with a highly reduced but fully atomistic representation of noncoding RNA expresses key features of their dynamic nature. PMID:27028235

  15. Conformal superalgebras via tractor calculus

    NASA Astrophysics Data System (ADS)

    Lischewski, Andree

    2015-01-01

    We use the manifestly conformally invariant description of a Lorentzian conformal structure in terms of a parabolic Cartan geometry in order to introduce a superalgebra structure on the space of twistor spinors and normal conformal vector fields formulated in purely algebraic terms on parallel sections in tractor bundles. Via a fixed metric in the conformal class, one reproduces a conformal superalgebra structure that has been considered in the literature before. The tractor approach, however, makes clear that the failure of this object to be a Lie superalgebra in certain cases is due to purely algebraic identities on the spinor module and to special properties of the conformal holonomy representation. Moreover, it naturally generalizes to higher signatures. This yields new formulas for constructing new twistor spinors and higher order normal conformal Killing forms out of existing ones, generalizing the well-known spinorial Lie derivative. Moreover, we derive restrictions on the possible dimension of the space of twistor spinors in any metric signature.

  16. Combined effects of f(R) gravity and conformally invariant Maxwell field on the extended phase space thermodynamics of higher-dimensional black holes

    NASA Astrophysics Data System (ADS)

    Mo, Jie-Xiong; Li, Gu-Qiang; Xu, Xiao-Bao

    2016-10-01

    In this paper, we investigate the thermodynamics of higher-dimensional f( R) black holes in the extended phase space. Both the analytic expressions and the numerical results for the possible critical physical quantities are obtained. It is proved that meaningful critical specific volume only exists when p is odd. This unique phenomenon may be attributed to the combined effect of f( R) gravity and conformally invariant Maxwell field. It is also shown that the ratio P_cv_c/T_c differs from that of higher-dimensional charged AdS black holes in Einstein gravity. However, the ratio for four-dimensional f( R) black holes is the same as that of four-dimensional RN-AdS black holes, implying that f( R) gravity does not influence the ratio. So the ratio may be related to conformally invariant Maxwell field. To probe the phase transition, we derive the explicit expression of the Gibbs free energy with its graph plotted. A phase transition analogous to the van der Waals liquid-gas system takes place between the small black hole and the large black hole. Classical swallow tail behavior, characteristic of first-order phase transitions, can also be observed in the Gibbs free energy graph. Critical exponents are also calculated. It is shown that these exponents are exactly the same as those of other AdS black holes, implying that neither f( R) gravity nor conformally invariant Maxwell field influence the critical exponents. Since the investigated black hole solution depends on the form of the function f( R), we discuss in detail how our results put constraint on the form of the function f( R) and we also present a simple example.

  17. A Science Information Infrastructure for Access to Earth and Space Science Data through the Nation's Science Museums

    NASA Technical Reports Server (NTRS)

    Murray, S.

    1999-01-01

    In this project, we worked with the University of California at Berkeley/Center for Extreme Ultraviolet Astrophysics and five science museums (the National Air and Space Museum, the Science Museum of Virginia, the Lawrence Hall of Science, the Exploratorium., and the New York Hall of Science) to formulate plans for computer-based laboratories located at these museums. These Science Learning Laboratories would be networked and provided with real Earth and space science observations, as well as appropriate lesson plans, that would allow the general public to directly access and manipulate the actual remote sensing data, much as a scientist would.

  18. Assemblies of Conformal Tanks

    NASA Technical Reports Server (NTRS)

    DeLay, Tom

    2009-01-01

    Assemblies of tanks having shapes that conform to each other and/or conform to other proximate objects have been investigated for use in storing fuels and oxidizers in small available spaces in upper stages of spacecraft. Such assemblies might also prove useful in aircraft, automobiles, boats, and other terrestrial vehicles in which space available for tanks is limited. The basic concept of using conformal tanks to maximize the utilization of limited space is not new in itself: for example, conformal tanks are used in some automobiles to store windshield -washer liquid and coolant that overflows from radiators. The novelty of the present development lies in the concept of an assembly of smaller conformal tanks, as distinguished from a single larger conformal tank. In an assembly of smaller tanks, it would be possible to store different liquids in different tanks. Even if the same liquid were stored in all the tanks, the assembly would offer an advantage by reducing the mechanical disturbance caused by sloshing of fuel in a single larger tank: indeed, the requirement to reduce sloshing is critical in some applications. The figure shows a prototype assembly of conformal tanks. Each tank was fabricated by (1) copper plating a wax tank mandrel to form a liner and (2) wrapping and curing layers of graphite/epoxy composite to form a shell supporting the liner. In this case, the conformal tank surfaces are flat ones where they come in contact with the adjacent tanks. A band of fibers around the outside binds the tanks together tightly in the assembly, which has a quasi-toroidal shape. For proper functioning, it would be necessary to maintain equal pressure in all the tanks.

  19. Di-Jet Conical Correlations Associated with Heavy Quark Jets in anti-de Sitter Space/Conformal Field Theory Correspondence

    SciTech Connect

    Noronha, Jorge; Gyulassy, Miklos; Torrieri, Giorgio

    2009-03-13

    We show that far zone Mach and diffusion wake 'holograms' produced by supersonic strings in anti-de Sitter space/conformal field theory (AdS/CFT) correspondence do not lead to observable conical angular correlations in the strict N{sub c}{yields}{infinity} supergravity limit if Cooper-Frye hadronization is assumed. However, a special nonequilibrium 'neck' zone near the jet is shown to produce an apparent sonic boom azimuthal angle distribution that is roughly independent of the heavy quark's velocity. Our results indicate that a measurement of the dependence of the away-side correlations on the velocity of associated identified heavy quark jets at the BNL Relativistic Heavy Ion Collider and CERN LHC will provide a direct test of the nonperturbative dynamics involved in the coupling between jets and the strongly coupled quark-gluon plasma implied by AdS/CFT correspondence.

  20. Di-jet conical correlations associated with heavy quark jets in anti-de sitter space/conformal field theory correspondence.

    PubMed

    Noronha, Jorge; Gyulassy, Miklos; Torrieri, Giorgio

    2009-03-13

    We show that far zone Mach and diffusion wake "holograms" produced by supersonic strings in anti-de Sitter space/conformal field theory (AdS/CFT) correspondence do not lead to observable conical angular correlations in the strict N_{c}-->infinity supergravity limit if Cooper-Frye hadronization is assumed. However, a special nonequilibrium "neck" zone near the jet is shown to produce an apparent sonic boom azimuthal angle distribution that is roughly independent of the heavy quark's velocity. Our results indicate that a measurement of the dependence of the away-side correlations on the velocity of associated identified heavy quark jets at the BNL Relativistic Heavy Ion Collider and CERN LHC will provide a direct test of the nonperturbative dynamics involved in the coupling between jets and the strongly coupled quark-gluon plasma implied by AdS/CFT correspondence. PMID:19392107

  1. Perception of available space during chimpanzee introductions: Number of accessible areas is more important than enclosure size.

    PubMed

    Herrelko, Elizabeth S; Buchanan-Smith, Hannah M; Vick, Sarah-Jane

    2015-01-01

    Restricting animals to different areas of their enclosure, for both brief and extended durations, is a key element of animal management practices. With such restrictions, available space decreases and the choices the animals can make are more limited, particularly in relation to social dynamics. When unfamiliar individuals are introduced to each other, group dynamics can be unpredictable and understanding space usage is important to facilitate successful introductions. We studied the behavioral, welfare-related responses of two groups of zoo-housed chimpanzees (n = 22) as they were introduced to each other and experienced a variety of enclosure restrictions and group composition changes. Our analysis of available space while controlling for chimpanzee density, found that arousal-related scratching and yawning decreased as the number of enclosure areas (separate rooms) available increased, whereas only yawning decreased as the amount of available space (m(2)) increased. Allogrooming, rubbing, and regurgitation/reingestion rates remained constant as both the number of enclosure areas and amount of space changed. Enclosure space is important to zoo-housed chimpanzees, but during introductions, a decrease in arousal-related scratching indicates that the number of accessible areas is more important than the total amount of space available, suggesting that it is important to provide modular enclosures that provide choice and flexible usage, to minimize the welfare impact of short- and long-term husbandry needs.

  2. Perception of available space during chimpanzee introductions: Number of accessible areas is more important than enclosure size.

    PubMed

    Herrelko, Elizabeth S; Buchanan-Smith, Hannah M; Vick, Sarah-Jane

    2015-01-01

    Restricting animals to different areas of their enclosure, for both brief and extended durations, is a key element of animal management practices. With such restrictions, available space decreases and the choices the animals can make are more limited, particularly in relation to social dynamics. When unfamiliar individuals are introduced to each other, group dynamics can be unpredictable and understanding space usage is important to facilitate successful introductions. We studied the behavioral, welfare-related responses of two groups of zoo-housed chimpanzees (n = 22) as they were introduced to each other and experienced a variety of enclosure restrictions and group composition changes. Our analysis of available space while controlling for chimpanzee density, found that arousal-related scratching and yawning decreased as the number of enclosure areas (separate rooms) available increased, whereas only yawning decreased as the amount of available space (m(2)) increased. Allogrooming, rubbing, and regurgitation/reingestion rates remained constant as both the number of enclosure areas and amount of space changed. Enclosure space is important to zoo-housed chimpanzees, but during introductions, a decrease in arousal-related scratching indicates that the number of accessible areas is more important than the total amount of space available, suggesting that it is important to provide modular enclosures that provide choice and flexible usage, to minimize the welfare impact of short- and long-term husbandry needs. PMID:26235989

  3. Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain*

    PubMed Central

    Hexnerová, Rozálie; Křížková, Květoslava; Fábry, Milan; Sieglová, Irena; Kedrová, Kateřina; Collinsová, Michaela; Ullrichová, Pavlína; Srb, Pavel; Williams, Christopher; Crump, Matthew P.; Tošner, Zdeněk; Jiráček, Jiří; Veverka, Václav; Žáková, Lenka

    2016-01-01

    Insulin and insulin-like growth factors I and II are closely related protein hormones. Their distinct evolution has resulted in different yet overlapping biological functions with insulin becoming a key regulator of metabolism, whereas insulin-like growth factors (IGF)-I/II are major growth factors. Insulin and IGFs cross-bind with different affinities to closely related insulin receptor isoforms A and B (IR-A and IR-B) and insulin-like growth factor type I receptor (IGF-1R). Identification of structural determinants in IGFs and insulin that trigger their specific signaling pathways is of increasing importance in designing receptor-specific analogs with potential therapeutic applications. Here, we developed a straightforward protocol for production of recombinant IGF-II and prepared six IGF-II analogs with IGF-I-like mutations. All modified molecules exhibit significantly reduced affinity toward IR-A, particularly the analogs with a Pro-Gln insertion in the C-domain. Moreover, one of the analogs has enhanced binding affinity for IGF-1R due to a synergistic effect of the Pro-Gln insertion and S29N point mutation. Consequently, this analog has almost a 10-fold higher IGF-1R/IR-A binding specificity in comparison with native IGF-II. The established IGF-II purification protocol allowed for cost-effective isotope labeling required for a detailed NMR structural characterization of IGF-II analogs that revealed a link between the altered binding behavior of selected analogs and conformational rearrangement of their C-domains. PMID:27510031

  4. Killing Initial Data on spacelike conformal boundaries

    NASA Astrophysics Data System (ADS)

    Paetz, Tim-Torben

    2016-08-01

    We analyze Killing Initial Data on Cauchy surfaces in conformally rescaled vacuum space-times satisfying Friedrich's conformal field equations. As an application, we derive the KID equations on a spacelike ℐ-.

  5. Remote Access to Earth Science Data by Content, Space and Time

    NASA Technical Reports Server (NTRS)

    Dobinson, E.; Raskin, G.

    1998-01-01

    This demo presents the combination on an http-based client/server application that facilitates internet access to Earth science data coupled with a Java applet GUI that allows the user to graphically select data based on spatial and temporal coverage plots and scientific parameters.

  6. NASA Hypersonic X-Plane Flight Development of Technologies and Capabilities for the 21st Century Access to Space

    NASA Technical Reports Server (NTRS)

    Hicks, John W.; Trippensee, Gary

    1997-01-01

    A new family of NASA experimental aircraft (X-planes) is being developed to uniquely, yet synergistically tackle a wide class of technologies to advance low-cost, efficient access to space for a range of payload classes. This family includes two non-air-breathing rocket-powered concepts, the X-33 and the X-34 aircraft, and two air-breathing vehicle concepts, the scramjet-powered Hyper-X and the rocket-based combined cycle flight vehicle. This report describes the NASA vision for reliable, reusable, fly-to-orbit spacecraft in relation to the current space shuttle capability. These hypersonic X-plane programs, their objectives, and their status are discussed. The respective technology sets and flight program approaches are compared and contrasted. Additionally, the synergy between these programs to advance the entire technology front in a uniform way is discussed. NASA's view of the value of in-flight hypersonic experimentation and technology development to act as the ultimate crucible for proving and accelerating technology readiness is provided. Finally, an opinion on end technology products and space access capabilities for the 21st century is offered.

  7. Characterization of the internal dynamics and conformational space of zinc-bound amyloid β peptides by replica-exchange molecular dynamics simulations.

    PubMed

    Xu, Liang; Wang, Xiaojuan; Wang, Xicheng

    2013-07-01

    Amyloid β (Aβ) peptides and metal ions have been associated with the pathogenesis of Alzheimer's disease. The conformational space of Aβ fragments of different length with and without binding of metal ions has been extensively investigated by replica-exchange molecular dynamics (REMD) simulation. However, only trajectories extracted at relatively low temperatures have been used for this analysis. The capability of REMD simulations to characterize the internal dynamics of such intrinsically disordered proteins (IDPs) as Aβ has been overlooked. In this work, we use an approach recently developed by Xue and Skrynnikov (J Am Chem Soc 133:14614-14628, 2011) to calculate NMR observables, including (15)N relaxation rates and (15)N-(1)H nuclear Overhauser enhancement (NOE), from the high-temperature trajectory of REMD simulations for zinc-bound Aβ peptides. The time axis of the trajectory was rescaled to correct for the effect of the high temperature (408 K) compared with the experimental temperature (278 K). Near-quantitative agreement between simulated values and experimental results was obtained. When the structural properties and free-energy surfaces of zinc-bound Aβ(1-40) and Aβ(1-42) were compared at the physiological temperature 310 K it was found that zinc-bound Aβ(1-42) was more rigid than Aβ(1-40) at the C terminus, and its conformational transitions were also more preferred. The self-consistent results derived from trajectories at high and low temperatures demonstrate the capability of REMD simulations to capture the internal dynamics of IDPs.

  8. Small Satellites for Atmospheric and near earth Space sciences - the Indian perspectives of a low cost access to Space

    NASA Astrophysics Data System (ADS)

    Sridharan, R.

    Small satellites of 100-400 kg class are expected to play bigger roles in the years to come. With the advancement of technology in terms of miniaturization and also reliability, it has become possible to configure small satellites which otherwise would have demanded larger platforms, both in terms of weight and power. The atmospheric and near Earth space processes are truly multi-dimensional and are extremely complex with large temporal and spatial variability and also respond closely to the processes in the Sun. As a consequence, no single satellite mission would be able to provide the complete information thus warranting multiple missions. With the successful demonstration of multiple satellites launching capability, the spare capacity of the launch vehicles could be effectively and judiciously used for launching dedicated small scientific satellites as co passengers with negligible cost factor. This is viewed as an opening up of an otherwise difficult opportunity involving dedicated launches. With the prospect of multiple satellites for science missions becoming a reality the overall mission with an active life of 2-3 years could be realized with judicious choice of components. This is expected to bring in a larger user community in the country. The first step in this direction is the configuration of a modular micro and small satellite bus. The upcoming missions of TWSAT (Third world satellite), Youth Sat (active participation of the student community), SARAL (Satellite for ARGOs and Altimetry), SENSE/E and SENSE/P (Satellite for Earth's Near Space environment), ISTAG (Indian Satellite for Aerosols and Gases), are utilizing the above concepts. ISRO has also come out with AO's for Astronomy and Astrophysics payloads, as most of the stringent requirements of various experiments could be met with the small satellite platforms themselves. A brief outline of the upcoming and proposed activities would be presented and discussed in the talk.

  9. Conformal Visualization for Partially-Immersive Platforms

    PubMed Central

    Petkov, Kaloian; Papadopoulos, Charilaos; Zhang, Min; Kaufman, Arie E.; Gu, Xianfeng

    2010-01-01

    Current immersive VR systems such as the CAVE provide an effective platform for the immersive exploration of large 3D data. A major limitation is that in most cases at least one display surface is missing due to space, access or cost constraints. This partially-immersive visualization results in a substantial loss of visual information that may be acceptable for some applications, however it becomes a major obstacle for critical tasks, such as the analysis of medical data. We propose a conformal deformation rendering pipeline for the visualization of datasets on partially-immersive platforms. The angle-preserving conformal mapping approach is used to map the 360°3D view volume to arbitrary display configurations. It has the desirable property of preserving shapes under distortion, which is important for identifying features, especially in medical data. The conformal mapping is used for rasterization, realtime raytracing and volume rendering of the datasets. Since the technique is applied during the rendering, we can construct stereoscopic images from the data, which is usually not true for image-based distortion approaches. We demonstrate the stereo conformal mapping rendering pipeline in the partially-immersive 5-wall Immersive Cabin (IC) for virtual colonoscopy and architectural review. PMID:26279083

  10. Maglev Launch: Ultra-low Cost, Ultra-high Volume Access to Space for Cargo and Humans

    NASA Astrophysics Data System (ADS)

    Powell, James; Maise, George; Rather, John

    2010-01-01

    Despite decades of efforts to reduce rocket launch costs, improvements are marginal. Launch cost to LEO for cargo is ~$10,000 per kg of payload, and to higher orbit and beyond much greater. Human access to the ISS costs $20 million for a single passenger. Unless launch costs are greatly reduced, large scale commercial use and human exploration of the solar system will not occur. A new approach for ultra low cost access to space-Maglev Launch-magnetically accelerates levitated spacecraft to orbital speeds, 8 km/sec or more, in evacuated tunnels on the surface, using Maglev technology like that operating in Japan for high speed passenger transport. The cost of electric energy to reach orbital speed is less than $1 per kilogram of payload. Two Maglev launch systems are described, the Gen-1System for unmanned cargo craft to orbit and Gen-2, for large-scale access of human to space. Magnetically levitated and propelled Gen-1 cargo craft accelerate in a 100 kilometer long evacuated tunnel, entering the atmosphere at the tunnel exit, which is located in high altitude terrain (~5000 meters) through an electrically powered ``MHD Window'' that prevents outside air from flowing into the tunnel. The Gen-1 cargo craft then coasts upwards to space where a small rocket burn, ~0.5 km/sec establishes, the final orbit. The Gen-1 reference design launches a 40 ton, 2 meter diameter spacecraft with 35 tons of payload. At 12 launches per day, a single Gen-1 facility could launch 150,000 tons annually. Using present costs for tunneling, superconductors, cryogenic equipment, materials, etc., the projected construction cost for the Gen-1 facility is 20 billion dollars. Amortization cost, plus Spacecraft and O&M costs, total $43 per kg of payload. For polar orbit launches, sites exist in Alaska, Russia, and China. For equatorial orbit launches, sites exist in the Andes and Africa. With funding, the Gen-1 system could operate by 2020 AD. The Gen-2 system requires more advanced technology

  11. GeneLab: NASA's Open Access, Collaborative Platform for Systems Biology and Space Medicine

    NASA Technical Reports Server (NTRS)

    Berrios, Daniel C.; Thompson, Terri G.; Fogle, Homer W.; Rask, Jon C.; Coughlan, Joseph C.

    2015-01-01

    NASA is investing in GeneLab1 (http:genelab.nasa.gov), a multi-year effort to maximize utilization of the limited resources to conduct biological and medical research in space, principally aboard the International Space Station (ISS). High-throughput genomic, transcriptomic, proteomic or other omics analyses from experiments conducted on the ISS will be stored in the GeneLab Data Systems (GLDS), an open-science information system that will also include a biocomputation platform with collaborative science capabilities, to enable the discovery and validation of molecular networks.

  12. The place of receptionists in access to primary care: Challenges in the space between community and consultation.

    PubMed

    Neuwelt, Pat M; Kearns, Robin A; Browne, Annette J

    2015-05-01

    At the point of entry to the health care system sit general practice receptionists (GPRs), a seldom studied employment group. The place of the receptionist involves both a location within the internal geography of the clinic and a position within the primary care team. Receptionists literally 'receive' those who phone or enter the clinic, and are a critical influence in their transformation from a 'person' to a 'patient'. This process occurs in a particular space: the 'waiting room'. We explore the waiting room and its dynamics in terms of 'acceptability', an under-examined aspect of access to primary care. We ask 'How do GPRs see their role with regard to patients with complex health and social needs, in light of the spatio-temporal constraints of their working environments?' We engaged receptionists as participants to explore perceptions of their roles and their workspaces, deriving narrative data from three focus groups involving 14 GPRs from 11 practices in the Northland region of New Zealand. The study employed an adapted form of grounded theory. Our findings indicate that GPRs are on the edge of the practice team, yet carry a complex role at the frontline, in the waiting space. They are de facto managers of this space; however, they have limited agency within general practice settings, due to the constraints imposed upon them by physical and organisational structures. The agency of GPRs is most evident in their ability to shape the social dynamics of the waiting space, and to frame the health care experience as positive for people whose usual experience is marginalisation. We conclude that, if well supported, receptionists have the potential to positively influence health care acceptability, and patients' access to care. PMID:25455478

  13. Determination of the solution-bound conformation of an amino acid binding protein by NMR paramagnetic relaxation enhancement: use of a single flexible paramagnetic probe with improved estimation of its sampling space.

    PubMed

    Bermejo, Guillermo A; Strub, Marie-Paule; Ho, Chien; Tjandra, Nico

    2009-07-15

    We demonstrate the feasibility of elucidating the bound ("closed") conformation of a periplasmic binding protein, the glutamine-binding protein (GlnBP), in solution, using paramagnetic relaxation enhancements (PREs) arising from a single paramagnetic group. GlnBP consists of two globular domains connected by a hinge. Using the ligand-free ("open") conformation as a starting point, conjoined rigid-body/torsion-angle simulated annealing calculations were performed using backbone (1)H(N)-PREs as a major source of distance information. Paramagnetic probe flexibility was accounted for via a multiple-conformer representation. A conventional approach where the entire PRE data set is enforced at once during simulated annealing yielded poor results due to inappropriate conformational sampling of the probe. On the other hand, significant improvements in coordinate accuracy were obtained by estimating the probe sampling space prior to structure calculation. Such sampling is achieved by refining the ensemble of probe conformers with intradomain PREs only, keeping the protein backbone fixed in the open form. Subsequently, while constraining the probe to the previously found conformations, the domains are allowed to move relative to each other under the influence of the non-intradomain PREs, giving the hinge region torsional degrees of freedom. Thus, by partitioning the protocol into "probe sampling" and "backbone sampling" stages, structures significantly closer to the X-ray structure of ligand-bound GlnBP were obtained.

  14. Estimating Space Requirements for Microfilm Catalogs and CRT Access to Computer Data Bases.

    ERIC Educational Resources Information Center

    Adler, Peter K.

    While the majority of libraries continue to use cards as their primary medium for public catalogs, microform catalogs are gaining popularity because they are more economical, and some libraries may soon be using cathode ray tube (CRT) terminals for displaying catalog data. No definitive information prescribing the space and equipment needs for…

  15. Charged conformal Killing spinors

    SciTech Connect

    Lischewski, Andree

    2015-01-15

    We study the twistor equation on pseudo-Riemannian Spin{sup c}-manifolds whose solutions we call charged conformal Killing spinors (CCKSs). We derive several integrability conditions for the existence of CCKS and study their relations to spinor bilinears. A construction principle for Lorentzian manifolds admitting CCKS with nontrivial charge starting from CR-geometry is presented. We obtain a partial classification result in the Lorentzian case under the additional assumption that the associated Dirac current is normal conformal and complete the classification of manifolds admitting CCKS in all dimensions and signatures ≤5 which has recently been initiated in the study of supersymmetric field theories on curved space.

  16. Group space allowance has little effect on sow health, productivity, or welfare in a free-access stall system.

    PubMed

    Mack, L A; Lay, D C; Eicher, S D; Johnson, A K; Richert, B T; Pajor, E A

    2014-06-01

    Free-access stalls allow sows to choose the protection of a stall or use of a shared group space. This study investigated the effect of group space width, 0.91 (SS), 2.13 (IS), and 3.05 (LS) m, on the health, production, behavior, and welfare of gestating sows. Nine replications of 21 (N = 189) gestating sows were used. At gestational d 35.4 ± 2.3, the pregnant sows were distributed into 3 pens of 7 sows, where they remained until 104.6 ± 3.5 d. Each treatment pen had 7 free-access stalls and a group space that together provided 1.93 (SS), 2.68 (IS), or 3.24 (LS) m(2)/sow. Baseline measurements were obtained before mixing. Back fat depth, BW, BCS, and lameness were measured monthly, and skin lesions were scored weekly. Blood was collected monthly for hematological, immunological, and cortisol analyses. Sow behavior was video recorded continuously during the initial 4 d of treatment and 24 h every other week thereafter. Behavior was analyzed for location, posture, pen investigation, social contact, and aggression. Skin response to the mitogen concanavalin A (Con A) was tested at mean gestational d 106. Litter characteristics including size and weight were collected at birth and weaning. The data were analyzed using a mixed model. Multiple comparisons were adjusted with the Tukey-Kramer and Bejamini-Hochberg methods. Group space allowance had no effect on any measure of sow health, physiology, or production (P ≥ 0.10). Sows in the SS, IS, and LS pens spent 77.88% ± 3.88%, 66.02% ± 3.87%, and 63.64% ± 3.91%, respectively, of their time in the free-access stalls (P = 0.12). However, SS sows used the group space less than IS and LS sows (P = 0.01). Overall, pen investigatory behavior was not affected by group space allowance (P = 0.91). Sows in the LS pens spent more time in a social group than SS sows (P = 0.02), whereas sows in IS pens were intermediate to, but not different from, the other treatments (P ≥ 0.10). The size of the social groups was also

  17. Group space allowance has little effect on sow health, productivity, or welfare in a free-access stall system.

    PubMed

    Mack, L A; Lay, D C; Eicher, S D; Johnson, A K; Richert, B T; Pajor, E A

    2014-06-01

    Free-access stalls allow sows to choose the protection of a stall or use of a shared group space. This study investigated the effect of group space width, 0.91 (SS), 2.13 (IS), and 3.05 (LS) m, on the health, production, behavior, and welfare of gestating sows. Nine replications of 21 (N = 189) gestating sows were used. At gestational d 35.4 ± 2.3, the pregnant sows were distributed into 3 pens of 7 sows, where they remained until 104.6 ± 3.5 d. Each treatment pen had 7 free-access stalls and a group space that together provided 1.93 (SS), 2.68 (IS), or 3.24 (LS) m(2)/sow. Baseline measurements were obtained before mixing. Back fat depth, BW, BCS, and lameness were measured monthly, and skin lesions were scored weekly. Blood was collected monthly for hematological, immunological, and cortisol analyses. Sow behavior was video recorded continuously during the initial 4 d of treatment and 24 h every other week thereafter. Behavior was analyzed for location, posture, pen investigation, social contact, and aggression. Skin response to the mitogen concanavalin A (Con A) was tested at mean gestational d 106. Litter characteristics including size and weight were collected at birth and weaning. The data were analyzed using a mixed model. Multiple comparisons were adjusted with the Tukey-Kramer and Bejamini-Hochberg methods. Group space allowance had no effect on any measure of sow health, physiology, or production (P ≥ 0.10). Sows in the SS, IS, and LS pens spent 77.88% ± 3.88%, 66.02% ± 3.87%, and 63.64% ± 3.91%, respectively, of their time in the free-access stalls (P = 0.12). However, SS sows used the group space less than IS and LS sows (P = 0.01). Overall, pen investigatory behavior was not affected by group space allowance (P = 0.91). Sows in the LS pens spent more time in a social group than SS sows (P = 0.02), whereas sows in IS pens were intermediate to, but not different from, the other treatments (P ≥ 0.10). The size of the social groups was also

  18. Hubble Space Telescope Telemetry Access using the Vision 2000 Control Center System (CCS)

    NASA Astrophysics Data System (ADS)

    Miebach, M.; Dolensky, M.

    Major changes to the Space Telescope Ground Systems are presently in progres s. The main objectives of the re-engineering effort, \\htmladdnormallinkfoot{ Vision 2000}{http://vision.hst.nasa.gov/}, are to reduce development and operation costs for the remaining years of S pace Telescope's lifetime. Costs are reduced by the use of commercial off the s helf (COTS) products wherever possible. Part of CCS is a Space Telescope Engineering Data Store, the design of which is based on modern Data Warehouse technology. The purpose of this data store i s to provide a common data source for telemet Some of the capabilities of CCS will be illustrated: sample of real-time dat a pages and plots of selected historical telemetry points.

  19. United States Human Access to Space, Exploration of the Moon and Preparation for Mars Exploration

    NASA Technical Reports Server (NTRS)

    Rhatigan, Jennifer L.

    2009-01-01

    In the past, men like Leonardo da Vinci and Jules Verne imagined the future and envisioned fantastic inventions such as winged flying machines, submarines, and parachutes, and posited human adventures like transoceanic flight and journeys to the Moon. Today, many of their ideas are reality and form the basis for our modern world. While individual visionaries like da Vinci and Verne are remembered for the accuracy of their predictions, today entire nations are involved in the process of envisioning and defining the future development of mankind, both on and beyond the Earth itself. Recently, Russian, European, and Chinese teams have all announced plans for developing their own next generation human space vehicles. The Chinese have announced their intention to conduct human lunar exploration, and have flown three crewed space missions since 2003, including a flight with three crew members to test their extravehicular (spacewalking) capabilities in September 2008. Very soon, the prestige, economic development, scientific discovery, and strategic security advantage historically associated with leadership in space exploration and exploitation may no longer be the undisputed province of the United States. Much like the sponsors of the seafaring explorers of da Vinci's age, we are motivated by the opportunity to obtain new knowledge and new resources for the growth and development of our own civilization. NASA's new Constellation Program, established in 2005, is tasked with maintaining the United States leadership in space, exploring the Moon, creating a sustained human lunar presence, and eventually extending human operations to Mars and beyond. Through 2008, the Constellation Program developed a full set of detailed program requirements and is now completing the preliminary design phase for the new Orion Crew Exploration Vehicle (CEV), the Ares I Crew Launch Vehicle, and the associated infrastructure necessary for humans to explore the Moon. Component testing is well

  20. Human factors in space station architecture 2. EVA access facility: A comparative analysis of 4 concepts for on-orbit space suit servicing

    NASA Technical Reports Server (NTRS)

    Cohen, Marc M.; Bussolari, Steven

    1987-01-01

    Four concepts for on-orbit spacesuit donning, doffing, servicing, check-out, egress and ingress are presented. These are: the Space Transportation System (STS) Type (shuttle system enlarged), the Transit Airlock (Shuttle Airlock with suit servicing removed from the pump-down chamber), the Suitport (a rear-entry suit mates to a port in the airlock wall), and the Crewlock (a small, individual, conformal airlock). Each of these four concepts is compared through a series of seven steps representing a typical Extra Vehicular Activity (EVA) mission: (1) Predonning suit preparation; (2) Portable Life Support System (PLSS) preparation; (3) Suit Donning and Final Check; (4) Egress/Ingress; (5) Mid-EVA rest period; (6) Post-EVA Securing; (7) Non-Routine Maintenance. The different characteristics of each concept are articulated through this step-by-step approach. Recommendations concerning an approach for further evaluations of airlock geometry, anthropometrics, ergonomics, and functional efficiency are made. The key recommendation is that before any particular airlock can be designed, the full range of spacesuit servicing functions must be considered, including timelines that are most supportive of EVA human productivity.

  1. Orion: Design of a system for assured low-cost human access to space

    NASA Technical Reports Server (NTRS)

    Elvander, Josh; Heifetz, Andy; Hunt, Teresa; Zhu, Martin

    1994-01-01

    In recent years, Congress and the American people have begun to seriously question the role and importance of future manned spaceflight. This is mainly due to two factors: a decline in technical competition caused by the collapse of communism, and the high costs associated with the Space Shuttle transportation system. With these factors in mind, the ORION system was designed to enable manned spaceflight at a low cost, while maintaining the ability to carry out diverse missions, each with a high degree of flexibility. It is capable of performing satellite servicing missions, supporting a space station via crew rotation and resupply, and delivering satellites into geosynchronous orbit. The components of the system are a primary launch module, an upper stage, and a manned spacecraft capable of dynamic reentry. For satellite servicing and space station resupply missions, the ORION system utilizes three primary modules, an upper stage, and the spacecraft, which is delivered to low earth orbit and used to rendezvous, transfer materials, and make repairs. For launching a geosynchronous satellite, one primary module and an upper stage are used to deliver the satellite, along with an apogee kick motor, into orbit. The system is designed with reusability and modularity in mind in an attempt to lower cost.

  2. The conformations of cyclic (1-->2)-beta-D-glucans: application of multidimensional clustering analysis to conformational data sets obtained by Metropolis Monte Carlo calculations.

    PubMed

    York, W S; Thomsen, J U; Meyer, B

    1993-10-01

    Sets containing up to 1.3 x 10(6) energetically accessible conformations of linear (1-->2)-beta-D-glucan oligosaccharides were obtained by Metropolis Monte Carlo (MMC) calculations performed with the GEGOP (GEometry of GlycOProteins) program. Quantitative analyses of the data sets (which were expressed in terms of the glycosidic dihedral angle coordinates) were obtained by two different clustering methods: (i) the three-distance hierarchical clustering method (3-DM), published by Jure Zupan, and (ii) a nonhierarchical clustering method (Population-Density Projection, PDP) which, through a segmentation analysis of two-dimensional projections of the population-density surface, establishes a partitioning of conformational space into a set of "cluster regions", followed by a clustering step where each conformation of the data set is assigned to one of these regions. Computer programs (MCLUST and PDPCLUST) were developed to perform the 3-DM and PDP analyses, respectively. The two types of analysis provided very similar sets of conformational families (clusters), which could be expressed as combinations of distinct conformations of the glycosidic torsional angles (phi, psi) centered at (50 degrees, 10 degrees) for conformation A, (40 degrees, 160 degrees) for conformation B, (55 degrees, -160 degrees) for conformation B', and (170 degrees, 10 degrees) for conformation C. The analysis provided the populations of the families, along with relative rates for transitions between families. Examination of the frequencies of the A, B, and C glycosidic bond conformations with respect to their relative positions in the sequence revealed the tendency of the (1-->2)-beta-D-glucan to adopt conformational repeating structures of the general form [AnB], where n = 3 or 6. These repeating structures combine in an energetically cooperative fashion to give low-energy cyclic conformations having, for example C5 symmetry [AAAB]5 for the eicosamer, and C3 symmetry [AAAAAAB]3 for the

  3. Towards conformal loop quantum gravity

    NASA Astrophysics Data System (ADS)

    H-T Wang, Charles

    2006-03-01

    A discussion is given of recent developments in canonical gravity that assimilates the conformal analysis of gravitational degrees of freedom. The work is motivated by the problem of time in quantum gravity and is carried out at the metric and the triad levels. At the metric level, it is shown that by extending the Arnowitt-Deser-Misner (ADM) phase space of general relativity (GR), a conformal form of geometrodynamics can be constructed. In addition to the Hamiltonian and Diffeomorphism constraints, an extra first class constraint is introduced to generate conformal transformations. This phase space consists of York's mean extrinsic curvature time, conformal three-metric and their momenta. At the triad level, the phase space of GR is further enlarged by incorporating spin-gauge as well as conformal symmetries. This leads to a canonical formulation of GR using a new set of real spin connection variables. The resulting gravitational constraints are first class, consisting of the Hamiltonian constraint and the canonical generators for spin-gauge and conformorphism transformations. The formulation has a remarkable feature of being parameter-free. Indeed, it is shown that a conformal parameter of the Barbero-Immirzi type can be absorbed by the conformal symmetry of the extended phase space. This gives rise to an alternative approach to loop quantum gravity that addresses both the conceptual problem of time and the technical problem of functional calculus in quantum gravity.

  4. Feasibility of ultrasound-guided epidural access at the lumbo-sacral space in dogs.

    PubMed

    Liotta, Annalisa; Busoni, Valeria; Carrozzo, Maria Valentina; Sandersen, Charlotte; Gabriel, Annick; Bolen, Géraldine

    2015-01-01

    Epidural injections are commonly performed blindly in veterinary medicine. The aims of this study were to describe the lumbosacral ultrasonographic anatomy and to assess the feasibility of an ultrasound-guided epidural injection technique in dogs. A cross sectional anatomic atlas of the lumbosacral region and ex vivo ultrasound images were obtained in two cadavers to describe the ultrasound anatomy and to identify the landmarks. Sixteen normal weight canine cadavers were used to establish two variations of the technique for direct ultrasound-guided injection, using spinal needles or epidural catheters. The technique was finally performed in two normal weight cadavers, in two overweight cadavers and in five live dogs with radiographic abnormalities resulting of the lumbosacral spine. Contrast medium was injected and CT was used to assess the success of the injection. The anatomic landmarks to carry out the procedure were the seventh lumbar vertebra, the iliac wings, and the first sacral vertebra. The target for directing the needle was the trapezoid-shaped echogenic zone between the contiguous articular facets of the lumbosacral vertebral canal visualized in a parasagittal plane. The spinal needle or epidural catheter was inserted in a 45° craniodorsal-caudoventral direction through the subcutaneous tissue and the interarcuate ligament until reaching the epidural space. CT examination confirmed the presence of contrast medium in the epidural space in 25/25 dogs, although a variable contamination of the subarachnoid space was also noted. Findings indicated that this ultrasound-guided epidural injection technique is feasible for normal weight and overweight dogs, with and without radiographic abnormalities of the spine.

  5. REUSABLE PROPULSION ARCHITECTURE FOR SUSTAINABLE LOW-COST ACCESS TO SPACE

    NASA Technical Reports Server (NTRS)

    Bonometti, Joseph; Frame, Kyle L.; Dankanich, John W.

    2005-01-01

    Two transportation architecture changes are presented at either end of a conventional two-stage rocket flight: 1) Air launch using a large, conventional, pod hauler design (i.e., Crossbow)ans 2) Momentum exchange tether (i.e., an in-space asset like MXER). Air launch has ana analytically justified cost reduction of approx. 10%, but its intangible benefits suggest real-world operations cost reductions much higher: 1) Inherent launch safety; 2) Mission Risk Reduction; 3) Favorable payload/rocket limitations; and 4) Leveraging the aircraft for other uses (military transport, commercial cargo, public outreach activities, etc.)

  6. Rockot-an available launch system for affordable access to space

    NASA Astrophysics Data System (ADS)

    de Vries, U.; Kinnersley, M.; Freeborn, P.

    2000-01-01

    The Rockot launcher will perform its fifth launch, the first commercial launch, in Spring 2000 from the Plesetsk Cosmodrome in Northern Russia carrying two American satellites into a LEO orbit. In preparation for that a launch pad verification flight will be carried out in November this year to prove the functionality of the adapted facilities at the Plesetsk launch site and by placing a Russian satellite into a highly inclined orbit. The results of the launches will be described in detail in the paper as well as the installations at the launch site. Eurockot, the German-Russian joint-venture company marketing and managing the Rockot launch vehicle is meanwhile an integral part of the space launch community. Eurockot was formed by DaimlerChrysler Aerospace and Khrunichev State Research and Production Space Center. A brief overview of its activities, the commercial program and the performance/services offered by Eurockot is presented. Rockot can launch satellites weighing up to 1850 kg into polar or other low earth orbits (LEO). The Rockot launch vehicle is based on the former Russian SS-19 strategic missile. The first and second stages are inherited from the SS-19, the third stage Breeze which has already been developed has multiple ignition capability. The Breeze upper stage is under production at Khrunichev in Moscow. The Rockot launch system is flight proven and is operated from the Plesetsk as well as from the Baikonur launch site. .

  7. I(sup STAR), NASA's Next Step in Air-Breathing Propulsion for Space Access

    NASA Technical Reports Server (NTRS)

    Hutt, John J.; McArthur, Craig; Cook, Stephen (Technical Monitor)

    2001-01-01

    The United States' National Aeronautics and Space Administration (NASA) has established a strategic plan for future activities in space. A primary goal of this plan is to make drastic improvements in the cost and safety of earth to low-earth-orbit transportation. One approach to achieving this goal is through the development of highly reusable, highly reliable space transportation systems analogous to the commercial airline system. In the year 2000, NASA selected the Rocket Based Combined Cycle (RBCC) engine as the next logical step towards this goal. NASA will develop a complete flight-weight, pump-fed engine system under the Integrated System Test of an Airbreathing Rocket (I(sup STAR)) Project. The objective of this project is develop a reusable engine capable of self-powering a vehicle through the air-augmented rocket, ramjet and scramjet modes required in all RBCC based operational vehicle concepts. The project is currently approved and funded to develop the engine through ground test demonstration. Plans are in place to proceed with flight demonstration pending funding approval. The project is in formulation phase and the Preliminary Requirements Review has been completed. The engine system and vehicle have been selected at the conceptual level. The I(sup STAR) engine concept is based on an air-breathing flowpath downselected from three configurations evaluated in NASA's Advanced Reusable Technology contract. The selected flowpath features rocket thrust chambers integrated into struts separating modular flowpath ducts, a variable geometry inlet, and a thermally choked throat. The engine will be approximately 220 inches long and 79 inches wide and fueled with a hydrocarbon fuel using liquid oxygen as the primary oxidizer candidate. The primary concept for the pump turbine drive is pressure-fed catalyzed hydrogen peroxide. In order to control costs, the flight demonstration vehicle will be launched from a B-52 aircraft. The vehicle concept is based on the Air

  8. Community Access to the C/NOFS Satellite Data -- Facilitating New Opportunities for Space Weather Research

    NASA Astrophysics Data System (ADS)

    Martin, S.; de La Beaujardiere, O.; Hunton, D.; Wilson, G.; Roddy, P.; Coley, R.; Heelis, R.; Earle, G.; Straus, P.; Bernhardt, P.; Bromund, K.; Candey, R.; Pfaff, R.; Rowland, D.; Holzworth, R.; Kessel, M.

    2008-12-01

    The Air Force Communication/Navigation Outage Forecasting System (C/NOFS) satellite was launched on April 17, 2008 into a low latitude orbit (401 by 867 km, 13 deg inclination) and is designed to understand, model, and forecast the presence of ionospheric irregularities that cause scintillations and other radiowave disruptions. Its instruments include those that sample the plasma density and temperature, DC/AC electric fields, DC magnetic fields, ion drift velocity, neutral density, and GPS occultations. A radiowave tomography experiment and a lightning detector are also included on the satellite. C/NOFS provides a tremendous opportunity to merge space-based and ground-based observations and research, while engendering comparisons with, and data input to, the latest ionospheric models and theoretical calculations and simulations. To help coordinate this research and exchange of data products, the C/NOFS satellite data will be made available to the community through the Coordinated Data Analysis web site (http://cdaweb.gsfc.nasa.gov/) that resides at the NASA/Goddard Space Flight Center. The data will be distributed via FTP, OPENDAP (data streaming), HTTP, and web services with output in CDF, ASCII listings, PDF, and PS formats. This activity is sponsored by the NASA/Living With a Star program. This data distribution web site is in addition to the main Air Force Research Laboratory web site for the C/NOFS program that is located at http://www.kirtland.af.mil/library/factsheets/factsheet.asp?id=12776 and includes links to the C/NOFS instrument web sites, ground-based research, and satellite updates. A description of the C/NOFS satellite instruments and their standard data products available to the community via the CDA web site will be provided.

  9. Space Science IS Accessible to Students with Exceptional Needs: Results from Exceptional Needs Workshops

    NASA Astrophysics Data System (ADS)

    Runyon, C. J.; Merritt, M.; Guimond, K.

    2003-12-01

    The majority of students with disabilities in the US are required to achieve the same academic levels as their non-impaired peers. Unfortunately, there are few specialized materials to help these exceptional students. To assist students in meeting their goals, SERCH, a NASA Office of Space Science Broker/Facilitator, has been working with NASA education product developers and educators from informal and formal settings to identify what kinds of materials they need and what mediums will work best. As a result of both direct classrooms observations and hands-on workshops we have begun generating adaptive lessons plans that meet the national standards for Science, Technology, Engineering and Mathematics. During the workshops, participants simulate various disabilities (e.g., hearing, vision, orthopedic impairments, learning difficulties) while working through Space Science activities and discuss necessary adaptations/modifications in real-time. For example, we modified the Solar System Distance activity first designed by ASU to include the use of larger beads or pom-poms instead of the suggested small plastic beads. This simple adaptation permits students with orthopedic impairments to more readily take part in the lesson and to actively "observe" the distance between the planets. Examples of this activity and more will be illustrated. In addition to making modifications and suggestions for adaptations, workshop participants shared many simple recommendations that can help ALL learners participate more readily in classroom activities and discussions. Among these are: (1) Use simple, sans-serif fonts and high contrast presentation media (e.g., white text on black is most effective); (2) Repetition and use of multiple presentation modes is very helpful. (3) Actively involve the learner, and (4) Keep things simple to begin with, then work toward the more complex - think of the audience, the ultimate user.

  10. Scale invariance vs conformal invariance

    NASA Astrophysics Data System (ADS)

    Nakayama, Yu

    2015-03-01

    In this review article, we discuss the distinction and possible equivalence between scale invariance and conformal invariance in relativistic quantum field theories. Under some technical assumptions, we can prove that scale invariant quantum field theories in d = 2 space-time dimensions necessarily possess the enhanced conformal symmetry. The use of the conformal symmetry is well appreciated in the literature, but the fact that all the scale invariant phenomena in d = 2 space-time dimensions enjoy the conformal property relies on the deep structure of the renormalization group. The outstanding question is whether this feature is specific to d = 2 space-time dimensions or it holds in higher dimensions, too. As of January 2014, our consensus is that there is no known example of scale invariant but non-conformal field theories in d = 4 space-time dimensions under the assumptions of (1) unitarity, (2) Poincaré invariance (causality), (3) discrete spectrum in scaling dimensions, (4) existence of scale current and (5) unbroken scale invariance in the vacuum. We have a perturbative proof of the enhancement of conformal invariance from scale invariance based on the higher dimensional analogue of Zamolodchikov's c-theorem, but the non-perturbative proof is yet to come. As a reference we have tried to collect as many interesting examples of scale invariance in relativistic quantum field theories as possible in this article. We give a complementary holographic argument based on the energy-condition of the gravitational system and the space-time diffeomorphism in order to support the claim of the symmetry enhancement. We believe that the possible enhancement of conformal invariance from scale invariance reveals the sublime nature of the renormalization group and space-time with holography. This review is based on a lecture note on scale invariance vs conformal invariance, on which the author gave lectures at Taiwan Central University for the 5th Taiwan School on Strings and

  11. Commentary on accessing 3-D currents in space: Experiences from Cluster

    NASA Astrophysics Data System (ADS)

    Dunlop, M. W.; Haaland, S.; Escoubet, P. C.; Dong, X.-C.

    2016-08-01

    The curlometer was introduced to estimate the electric current density from four-point measurements in space; anticipating the realization of the four spacecraft Cluster mission which began full science operations in February 2001. The method uses Ampère's law to estimate current from the magnetic field measurements, suitable for the high-conductivity plasma of the magnetosphere and surrounding regions. The accuracy of the method is limited by the spatial separation knowledge, accuracy of the magnetic field measurement, and the relative scale size of the current structures sampled but nevertheless has proven to be robust and reliable in many regions of the magnetosphere. The method has been applied successfully and has been a key element, in studies of the magnetopause currents; the magnetotail current sheet; and the ring current, as well as allowing other current structures such as flux tubes and field aligned currents to be determined. The method is also applicable to situations where less than four spacecraft are closely grouped or where special assumptions (particularly stationarity) can be made. In view of the new four-point observations of the MMS mission taking place now, which cover a dramatically different spatial regime, we comment on the performance, adaptability, and lessons learnt from the curlometer technique. We emphasize the adaptability of the method, in particular, to the new sampling regime offered by the MMS mission; thereby offering a tool to address open questions on small-scale current structures.

  12. The History and Promise of Combined Cycle Engines for Access to Space Applications

    NASA Technical Reports Server (NTRS)

    Clark, Casie

    2010-01-01

    For the summer of 2010, I have been working in the Aerodynamics and Propulsion Branch at NASA Dryden Flight Research Center studying combined-cycle engines, a high speed propulsion concept. Combined cycle engines integrate multiple propulsion systems into a single engine capable of running in multiple modes. These different modes allow the engine to be extremely versatile and efficient in varied flight conditions. The two most common types of combined cycle engines are Rocket-Based Combined Cycle (RBCC) and Turbine Based Combined Cycle (TBCC). The RBCC essentially combines a rocket and ramjet engine, while the TBCC integrates a turbojet and ramjet1. These two engines are able to switch between different propulsion modes to achieve maximum performance. Extensive conceptual and ground test studies of RBCC engines have been undertaken; however, an RBCC engine has never, to my knowledge, been demonstrated in flight. RBCC engines are of particular interest because they could potentially power a reusable launch vehicle (RLV) into space. The TBCC has been flight tested and shown to be effective at reaching supersonic speeds, most notably in the SR-71 Blackbird2.

  13. Conformable seal

    DOEpatents

    Neef, W.S.; Lambert, D.R.

    1982-08-10

    Sealing apparatus and method, comprising first and second surfaces or membranes, at least one of which surfaces is deformable, placed in proximity to one another. Urging means cause these surfaces to contact one another in a manner such that the deformable surface deforms to conform to the geometry of the other surface, thereby creating a seal. The seal is capable of undergoing multiple cycles of sealing and unsealing.

  14. Recursion relations for conformal blocks

    NASA Astrophysics Data System (ADS)

    Penedones, João; Trevisani, Emilio; Yamazaki, Masahito

    2016-09-01

    In the context of conformal field theories in general space-time dimension, we find all the possible singularities of the conformal blocks as functions of the scaling dimension Δ of the exchanged operator. In particular, we argue, using representation theory of parabolic Verma modules, that in odd spacetime dimension the singularities are only simple poles. We discuss how to use this information to write recursion relations that determine the conformal blocks. We first recover the recursion relation introduced in [1] for conformal blocks of external scalar operators. We then generalize this recursion relation for the conformal blocks associated to the four point function of three scalar and one vector operator. Finally we specialize to the case in which the vector operator is a conserved current.

  15. Methodology and Results of the Near-Earth Object (NEO) Human Space Flight (HSF) Accessible Targets Study (NHATS)

    NASA Technical Reports Server (NTRS)

    Barbee, Brent; Mink, Ronald; Adamo, Daniel

    2011-01-01

    Near-Earth Asteroids (NEAs) have been identified by the current administration as potential destinations for human explorers during the mid-2020s. While the close proximity of these objects' orbits to Earth's orbit creates a risk of highly damaging or catastrophic impacts, it also makes some of these objects particularly accessible to spacecraft departing Earth, and this presents unique opportunities for solar system science and humanity's first ventures beyond cislunar space. Planning such ambitious missions first requires the selection of potentially accessible targets from the growing population of nearly 7,800 NEAs. To accomplish this, NASA is conducting the Near-Earth Object (NEO) Human Space Flight (HSF) Accessible Targets Study (NHATS). Phase I of the NHATS was executed during September of 2010, and Phase II was completed by early March of 2011. The study is ongoing because previously undetected NEAs are being discovered constantly, which has motivated an effort to automate the analysis algorithms in order to provide continuous monitoring of NEA accessibility. The NHATS analysis process consists of a trajectory filter and a minimum maximum estimated size criterion. The trajectory filter employs the method of embedded trajectory grids to compute all possible ballistic round-trip mission trajectories to every NEA in the Jet Propulsion Laboratory (JPL) Small-Body Database (SBDB) and stores all solutions that satisfy the trajectory filter criteria. An NEA must offer at least one qualifying trajectory solution to pass the trajectory filter. The Phase II NHATS filter criteria were purposely chosen to be highly inclusive, requiring Earth departure date between January 1st, 2015 and December 31st, 2040, total round-trip flight time <= 450 days, stay time at the NEA >= 8 days, Earth departure C(sub 3) energy <= 60 km(exp 2)/s(exp 2), total mission delta-v <= 12 km/s (including an Earth departure maneuver from a 400 km altitude circular parking orbit), and a maximum

  16. 14 CFR 17.45 - Conforming amendments.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Conforming amendments. 17.45 Section 17.45 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION PROCEDURAL RULES PROCEDURES FOR PROTESTS AND CONTRACTS DISPUTES Finality and Review § 17.45 Conforming amendments. The...

  17. Eikonalization of conformal blocks

    SciTech Connect

    Fitzpatrick, A. Liam; Kaplan, Jared; Walters, Matthew T.; Wang, Junpu

    2015-09-03

    Classical field configurations such as the Coulomb potential and Schwarzschild solution are built from the t-channel exchange of many light degrees of freedom. We study the CFT analog of this phenomenon, which we term the 'eikonalization' of conformal blocks. We show that when an operator T appears in the OPE Ο(x)Ο(0), then the large spin Fock space states [TT···T] also appear in this OPE with a computable coefficient. The sum over the exchange of these Fock space states in an correlator build the classical 'T field' in the dual AdS description. In some limits the sum of all Fock space exchanges can be represented as the exponential of a single T exchange in the 4-pt correlator of O. Our results should be useful for systematizing 1/ℓ perturbation theory in general CFTs and simplifying the computation of large spin OPE coefficients. As examples we obtain the leading log ℓ dependence of Fock space conformal block coefficients, and we directly compute the OPE coefficients of the simplest ‘triple-trace’ operators.

  18. Conformal complementarity maps

    NASA Astrophysics Data System (ADS)

    Barbón, José L. F.; Rabinovici, Eliezer

    2013-12-01

    We study quantum cosmological models for certain classes of bang/crunch singularities, using the duality between expanding bubbles in AdS with a FRW interior cosmology and perturbed CFTs on de Sitter space-time. It is pointed out that horizon complementarity in the AdS bulk geometries is realized as a conformal transformation in the dual deformed CFT. The quantum version of this map is described in full detail in a toy model involving conformal quantum mechanics. In this system the complementarity map acts as an exact duality between eternal and apocalyptic Hamiltonian evolutions. We calculate the commutation relation between the Hamiltonians corresponding to the different frames. It vanishes only on scale invariant states.

  19. Access to space

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The goal of this conceptual design was to devise a reusable, commercially viable, single-stage-to-orbit vehicle. The vehicle has the ability to deliver a 9100 kg (20,000 lb) payload to a low earth orbit of 433 km to 933 km (250 n.mi. - 450 n.mi.). The SSTO vehicle is 51 meters in length and has a gross takeoff mass of 680,400 kg (1,500,000 lb). The vehicle incorporates three RD-701 engines for the main propulsion system and two RL-10 engines for the orbital maneuvering system. The vehicle is designed for a three day stay on orbit with two crew members.

  20. Assessing the Native State Conformational Distribution of Ubiquitin by Peptide Acidity

    PubMed Central

    Hernández, Griselda; Anderson, Janet S.; LeMaster, David M.

    2011-01-01

    At equilibrium, every energetically feasible conformation of a protein occurs with a non-zero probability. Quantitative analysis of protein flexibility is thus synonymous with determining the proper Boltzmann-weighting of this conformational distribution. The exchange reactivity of solvent-exposed amide hydrogens greatly varies with conformation, while the short-lived peptide anion intermediate implies an insensitivity to the dynamics of conformational motion. Amides that are well-exposed in model conformational ensembles of ubiquitin vary a million-fold in exchange rates which continuum dielectric methods can predict with an rmsd of 3. However, the exchange rates for many of the more rarely exposed amides are markedly overestimated in the PDB-deposited 2K39 and 2KN5 ubiquitin ensembles, while the 2NR2 ensemble predictions are largely consistent with those of the Boltzmann-weighted conformational distribution sampled at the level of 1%. The correlation between the fraction of solvent-accessible conformations for a given amide hydrogen and the exchange rate constant for that residue provides a useful monitor of the degree of completeness with which a given ensemble has sampled the energetically accessible conformational space. These exchange predictions correlate with the degree to which each ensemble deviates from a set of 46 ubiquitin X-ray structures. Kolmogorov-Smirnov analysis for the distribution of intra- and inter-ensemble pairwise structural rmsd values assisted the identification of a subensemble of 2K39 that eliminates the overestimations of hydrogen exchange rates observed for the full ensemble. The relative merits of incorporating experimental restraints into the conformational sampling process is compared to using these restraints as filters to select subpopulations consistent with the experimental data. PMID:21055867

  1. Eikonalization of conformal blocks

    DOE PAGES

    Fitzpatrick, A. Liam; Kaplan, Jared; Walters, Matthew T.; Wang, Junpu

    2015-09-03

    Classical field configurations such as the Coulomb potential and Schwarzschild solution are built from the t-channel exchange of many light degrees of freedom. We study the CFT analog of this phenomenon, which we term the 'eikonalization' of conformal blocks. We show that when an operator T appears in the OPE Ο(x)Ο(0), then the large spin Fock space states [TT···T]ℓ also appear in this OPE with a computable coefficient. The sum over the exchange of these Fock space states in an correlator build the classical 'T field' in the dual AdS description. In some limits the sum of all Fock spacemore » exchanges can be represented as the exponential of a single T exchange in the 4-pt correlator of O. Our results should be useful for systematizing 1/ℓ perturbation theory in general CFTs and simplifying the computation of large spin OPE coefficients. As examples we obtain the leading log ℓ dependence of Fock space conformal block coefficients, and we directly compute the OPE coefficients of the simplest ‘triple-trace’ operators.« less

  2. Active conformation control of unfolded proteins by hyperthermal collision with a metal surface.

    PubMed

    Rinke, Gordon; Rauschenbach, Stephan; Harnau, Ludger; Albarghash, Alyazan; Pauly, Matthias; Kern, Klaus

    2014-10-01

    The physical and chemical properties of macromolecules like proteins are strongly dependent on their conformation. The degrees of freedom of their chemical bonds generate a huge conformational space, of which, however, only a small fraction is accessible in thermal equilibrium. Here we show that soft-landing electrospray ion beam deposition (ES-IBD) of unfolded proteins allows to control their conformation. The dynamics and result of the deposition process can be actively steered by selecting the molecular ion beam's charge state or tuning the incident energy. Using these parameters, protein conformations ranging from fully extended to completely compact can be prepared selectively on a surface, as evidenced on the subnanometer/amino acid resolution level by scanning tunneling microscopy (STM). Supported by molecular dynamics (MD) simulations, our results demonstrate that the final conformation on the surface is reached through a mechanical deformation during the hyperthermal ion surface collision. Our experimental results independently confirm the findings of ion mobility spectrometry (IMS) studies of protein gas phase conformations. Moreover, we establish a new route for the processing of macromolecular materials, with the potential to reach conformations that would be inaccessible otherwise. PMID:25198655

  3. Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations

    NASA Astrophysics Data System (ADS)

    Alcolea Palafox, M.; Iza, N.

    2012-11-01

    The molecular structure and energy of the anti-HIV, 2',3'-didehydro-3'-deoxythymidine (D4T, stavudine or Zerit) nucleoside analogue was determined by using MP2, B3LYP and B971 quantum chemical methods. The global minimum was determined through 3D potential energy surfaces (PES). These surfaces were built by rotation of the exocyclic χ, γ and β torsional angles, in steps of 20°, and full optimization of the remaining parameters. As consequence 5832 geometries were final optimized. The search located 25 local minimum, 4 of which are by MP2 within a 2 kcal/mol electronic energy range of the global minimum. The whole conformational parameters as well as P, νmax were analyzed in all the stable conformers. The global minimum by MP2 corresponds to the calculated values of the exocyclic torsional angles: χ = -103.6°, β = 63.8° and γ = 60.6°. The results obtained are in accordance to those found in thymidine and in related anti-HIV nucleoside analogues. The effect of hydration on the two most stable conformers is analyzed by continuous and discrete models up to 20 water molecules. The solid state was also simulated. The dimer forms found in the crystal unit cell were accurately determined and they are in accordance to the X-ray data.

  4. Chip-interleaved optical code division multiple access relying on a photon-counting iterative successive interference canceller for free-space optical channels.

    PubMed

    Zhou, Xiaolin; Zheng, Xiaowei; Zhang, Rong; Hanzo, Lajos

    2013-07-01

    In this paper, we design a novel Poisson photon-counting based iterative successive interference cancellation (SIC) scheme for transmission over free-space optical (FSO) channels in the presence of both multiple access interference (MAI) as well as Gamma-Gamma atmospheric turbulence fading, shot-noise and background light. Our simulation results demonstrate that the proposed scheme exhibits a strong MAI suppression capability. Importantly, an order of magnitude of BER improvements may be achieved compared to the conventional chip-level optical code-division multiple-access (OCDMA) photon-counting detector.

  5. Ultrahigh-capacity access network architecture for mobile data backhaul using integrated W-band wireless and free-space optical links with OAM multiplexing.

    PubMed

    Fang, Yuan; Yu, Jianjun; Zhang, Junwen; Chi, Nan; Xiao, Jiangnan; Chang, Gee-Kung

    2014-07-15

    In this Letter, we propose and experimentally demonstrate a novel access network architecture using hybrid integrated W-band wireless and free-space optical (FSO) links with orbital angular momentum (OAM) multiplexing. The transmission of a 20 GBd quadrature phase-shift keying signal modulated over 10 OAM modes has been demonstrated over a 0.6 m FSO link and a 0.4 m W-band wireless link at 100 GHz. The experimental results show that the architecture can support future ultrahigh-capacity, converged optical-wireless access networks that require extra bandwidth and system flexibility in mobile data networks.

  6. Universality class in conformal inflation

    SciTech Connect

    Kallosh, Renata; Linde, Andrei E-mail: alinde@stanford.edu

    2013-07-01

    We develop a new class of chaotic inflation models with spontaneously broken conformal invariance. Observational consequences of a broad class of such models are stable with respect to strong deformations of the scalar potential. This universality is a critical phenomenon near the point of enhanced symmetry, SO(1,1), in case of conformal inflation. It appears because of the exponential stretching of the moduli space and the resulting exponential flattening of scalar potentials upon switching from the Jordan frame to the Einstein frame in this class of models. This result resembles stretching and flattening of inhomogeneities during inflationary expansion. It has a simple interpretation in terms of velocity versus rapidity near the Kähler cone in the moduli space, similar to the light cone of special theory of relativity. This effect makes inflation possible even in the models with very steep potentials. We describe conformal and superconformal versions of this cosmological attractor mechanism.

  7. Conformal mechanics

    SciTech Connect

    Gonera, Joanna

    2013-08-15

    The SL(2,R) invariant Hamiltonian systems are discussed within the framework of the orbit method. It is shown that both the dynamics and the symmetry transformations are globally well-defined on phase space. The flexibility in the choice of the time variable and the Hamiltonian function described in the paper by de Alfaro et al. [Nuovo Cimento 34A (1976) 569] is related to the nontrivial global structure of 1+0-dimensional space–time. The operational definition of time is discussed.

  8. System performances of optical space code-division multiple-access-based fiber-optic two-dimensional parallel data link.

    PubMed

    Nakamura, M; Kitayama, K

    1998-05-10

    Optical space code-division multiple access is a scheme to multiplex and link data between two-dimensional processors such as smart pixels and spatial light modulators or arrays of optical sources like vertical-cavity surface-emitting lasers. We examine the multiplexing characteristics of optical space code-division multiple access by using optical orthogonal signature patterns. The probability density function of interference noise in interfering optical orthogonal signature patterns is calculated. The bit-error rate is derived from the result and plotted as a function of receiver threshold, code length, code weight, and number of users. Furthermore, we propose a prethresholding method to suppress the interference noise, and we experimentally verify that the method works effectively in improving system performance.

  9. Conformal operators in QCD

    SciTech Connect

    Makeenko, Y.M.

    1981-03-01

    Utilizing the properties of the representations of the conformal group, we obtain new expressions for the conformal operators composed of spinor or scalar fields of arbitrary dimension in terms of Jacobi polynomials. These expressions generalize the known formulas in terms of Gegenbauer polynomials. Using the conformal Ward identities, we prove the multiplicative renormalizability of conformal operators in the leading logarithmic approximation.

  10. Representation of target-bound drugs by computed conformers: implications for conformational libraries

    PubMed Central

    Günther, Stefan; Senger, Christian; Michalsky, Elke; Goede, Andrean; Preissner, Robert

    2006-01-01

    Background The increasing number of known protein structures provides valuable information about pharmaceutical targets. Drug binding sites are identifiable and suitable lead compounds can be proposed. The flexibility of ligands is a critical point for the selection of potential drugs. Since computed 3D structures of millions of compounds are available, the knowledge of their binding conformations would be a great benefit for the development of efficient screening methods. Results Integration of two public databases allowed superposition of conformers for 193 approved drugs with 5507 crystallised target-bound counterparts. The generation of 9600 drug conformers using an atomic force field was carried out to obtain an optimal coverage of the conformational space. Bioactive conformations are best described by a conformational ensemble: half of all drugs exhibit multiple active states, distributed over the entire range of the reachable energy and conformational space. A number of up to 100 conformers per drug enabled us to reproduce the bound states within a similarity threshold of 1.0 Å in 70% of all cases. This fraction rises to about 90% for smaller or average sized drugs. Conclusion Single drugs adopt multiple bioactive conformations if they interact with different target proteins. Due to the structural diversity of binding sites they adopt conformations that are distributed over a broad conformational space and wide energy range. Since the majority of drugs is well represented by a predefined low number of conformers (up to 100) this procedure is a valuable method to compare compounds by three-dimensional features or for fast similarity searches starting with pharmacophores. The underlying 9600 generated drug conformers are downloadable from the Super Drug Web site [1]. All superpositions are visualised at the same source. Additional conformers (110,000) of 2400 classified WHO-drugs are also available. PMID:16764718

  11. Iterative cluster-NMA (icNMA): A tool for generating conformational transitions in proteins

    PubMed Central

    Schuyler, Adam D.; Jernigan, Robert L.; Qasba, Pradman K.; Ramakrishnan, Boopathy; Chirikjian, Gregory S.

    2010-01-01

    Computational models provide insight into the structure-function relationship in proteins. These approaches, especially those based on normal mode analysis, can identify the accessible motion space around a given equilibrium structure. The large magnitude, collective motions identified by these methods are often well aligned with the general direction of the expected conformational transitions. However, these motions cannot realistically be extrapolated beyond the local neighborhood of the starting conformation. In this paper, the icNMA method is presented for traversing the energy landscape from a starting conformation to a desired goal conformation. This is accomplished by allowing the evolving geometry of the intermediate structures to define the local accessible motion space, and thus produce an appropriate displacement. Following the derivation of the icNMA method, a set of sample simulations are performed to probe the robustness of the model. A detailed analysis of β1,4-galactosyltransferase-T1 is also given, to highlight many of the capabilities of icNMA. Remarkably, during the transition, a helix is seen to be extended by an additional turn, emphasizing a new unknown role for secondary structures to absorb slack during transitions. The transition pathway for adenylate kinase, which has been frequently studied in the literature, is also discussed. PMID:18712827

  12. Conformal gravity and time

    NASA Astrophysics Data System (ADS)

    Hazboun, Jeffrey Shafiq

    2014-10-01

    Cartan geometry provides a rich formalism from which to look at various geometrically motivated extensions to general relativity. In this manuscript, we start by motivating reasons to extend the theory of general relativity. We then introduce the reader to our technique, called the quotient manifold method, for extending the geometry of spacetime. We will specifically look at the class of theories formed from the various quotients of the conformal group. Starting with the conformal symmetries of Euclidean space, we construct a manifold where time manifests as a part of the geometry. Though there is no matter present in the geome- try studied here, geometric terms analogous to dark energy and dark matter appear when we write down the Einstein tensor. Specifically, the quotient of the conformal group of Euclidean four-space by its Weyl subgroup results in a geometry possessing many of the properties of relativistic phase space, including both a natural symplectic form and nondegenerate Killing metric. We show the general solution possesses orthogonal Lagrangian submanifolds, with the induced metric and the spin connection on the submanifolds necessarily Lorentzian, despite the Euclidean starting point. By examining the structure equations of the biconformal space in an orthonormal frame adapted to its phase space properties, we also find two new tensor fields exist in this geometry, not present in Riemannian geometry. The first is a combination of the Weyl vector with the scale factor on the metric, and determines the time-like directions on the submanifolds. The second comes from the components of the spin connection, symmetric with respect to the new metric. Though this field comes from the spin connection, it transforms ho- mogeneously. Finally, we show in the absence of Cartan curvature or sources, the configuration space has geometric terms equivalent to a perfect fluid and a cosmological constant. We complete the analysis of this homogeneous space by

  13. Bridging the Digital Divide between Discrete and Continuous Space-Time Array Data to Enhance Accessibility to and Usability of NASA Earth Sciences Data for the Hydrological Community

    NASA Astrophysics Data System (ADS)

    Teng, W. L.; Maidment, D. R.; Vollmer, B.; Peters-Lidard, C. D.; Rui, H.; Strub, R.; Whiteaker, T.; Mocko, D. M.; Kirschbaum, D. B.

    2012-12-01

    A longstanding and significant "Digital Divide" in data representation exists between hydrology and climatology and meteorology. Typically, in hydrology, earth surface features are expressed as discrete spatial objects such as watersheds, river reaches, and point observation sites; and time varying data are contained in time series associated with these spatial objects. Long time histories of data may be associated with a single point or feature in space. In meteorology and climatology, remotely sensed observations and weather and climate model information are expressed as continuous spatial fields, with data sequenced in time from one data file to the next. Hydrology tends to be narrow in space and deep in time, while meteorology and climatology are broad in space and narrow in time. This Divide has been an obstacle, specifically, between the hydrological community, as represented by the Consortium of Universities for the Advancement of Hydrologic Science, Inc. (CUAHSI) and relevant data sets at the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC). CUAHSI has developed the Hydrologic Information System (HIS), which is built on international geospatial standards, with one of its aims to bridge the Divide. The opportunity costs of the Divide are high. It has largely prevented the routine access and use of NASA Earth sciences data by the hydrological and, more generally, geospatial community. This presentation describes a recently-begun NASA ACCESS project that addresses the Digital Divide problem. Progress to date is summarized; technical details are provided in a related presentation (Rui et al., Data Reorganization for Optimal Time Series Data Access, Analysis, and Visualization, IN016). Building on prior prototype efforts with EPA BASINS (Better Assessment Science Integrating point and Nonpoint Sources) and CUAHSI HIS, this project focuses on the following approaches to the problems of data discovery, access, and use: (1) Link HIS and

  14. Cell membrane conformation at vertical nanowire array interface revealed by fluorescence imaging

    NASA Astrophysics Data System (ADS)

    Berthing, Trine; Bonde, Sara; Rostgaard, Katrine R.; Hannibal Madsen, Morten; Sørensen, Claus B.; Nygård, Jesper; Martinez, Karen L.

    2012-10-01

    The perspectives offered by vertical arrays of nanowires for biosensing applications in living cells depend on the access of individual nanowires to the cell interior. Recent results on electrical access and molecular delivery suggest that direct access is not always obtained. Here, we present a generic approach to directly visualize the membrane conformation of living cells interfaced with nanowire arrays, with single nanowire resolution. The method combines confocal z-stack imaging with an optimized cell membrane labelling strategy which was applied to HEK293 cells interfaced with 2-11 μm long and 3-7 μm spaced nanowires with various surface coatings (bare, aminosilane-coated or polyethyleneimine-coated indium arsenide). We demonstrate that, for all commonly used nanowire lengths, spacings and surface coatings, nanowires generally remain enclosed in a membrane compartment, and are thereby not in direct contact with the cell interior.

  15. 14 CFR 21.53 - Statement of conformity.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Statement of conformity. 21.53 Section 21... CERTIFICATION PROCEDURES FOR PRODUCTS AND PARTS Type Certificates § 21.53 Statement of conformity. Link to an... conformity (FAA Form 317) to the Administrator for each aircraft engine and propeller presented to...

  16. 14 CFR 21.130 - Statement of conformity.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Statement of conformity. 21.130 Section 21... conformity. Each holder or licensee of a type certificate only, for a product manufactured in the United... Administrator a statement of conformity (FAA Form 317). This statement must be signed by an authorized...

  17. James Webb Space Telescope (JWST) Integrated Science Instruments Module (ISIM) Electronics Compartment (IEC) Conformal Shields Composite Bond Structure Qualification Test Method

    NASA Technical Reports Server (NTRS)

    Yew, Calinda; Stephens, Matt

    2015-01-01

    The JWST IEC conformal shields are mounted onto a composite frame structure that must undergo qualification testing to satisfy mission assurance requirements. The composite frame segments are bonded together at the joints using epoxy, EA 9394. The development of a test method to verify the integrity of the bonded structure at its operating environment introduces challenges in terms of requirements definition and the attainment of success criteria. Even though protoflight thermal requirements were not achieved, the first attempt in exposing the structure to cryogenic operating conditions in a thermal vacuum environment resulted in approximately 1 bonded joints failure during mechanical pull tests performed at 1.25 times the flight loads. Failure analysis concluded that the failure mode was due to adhesive cracks that formed and propagated along stress concentrated fillets as a result of poor bond squeeze-out control during fabrication. Bond repairs were made and the structures successfully re-tested with an improved LN2 immersion test method to achieve protoflight thermal requirements.

  18. Logarithmic conformal field theory: beyond an introduction

    NASA Astrophysics Data System (ADS)

    Creutzig, Thomas; Ridout, David

    2013-12-01

    This article aims to review a selection of central topics and examples in logarithmic conformal field theory. It begins with the remarkable observation of Cardy that the horizontal crossing probability of critical percolation may be computed analytically within the formalism of boundary conformal field theory. Cardy’s derivation relies on certain implicit assumptions which are shown to lead inexorably to indecomposable modules and logarithmic singularities in correlators. For this, a short introduction to the fusion algorithm of Nahm, Gaberdiel and Kausch is provided. While the percolation logarithmic conformal field theory is still not completely understood, there are several examples for which the formalism familiar from rational conformal field theory, including bulk partition functions, correlation functions, modular transformations, fusion rules and the Verlinde formula, has been successfully generalized. This is illustrated for three examples: the singlet model \\mathfrak {M} (1,2), related to the triplet model \\mathfrak {W} (1,2), symplectic fermions and the fermionic bc ghost system; the fractional level Wess-Zumino-Witten model based on \\widehat{\\mathfrak {sl}} \\left( 2 \\right) at k=-\\frac{1}{2}, related to the bosonic βγ ghost system; and the Wess-Zumino-Witten model for the Lie supergroup \\mathsf {GL} \\left( 1 {\\mid} 1 \\right), related to \\mathsf {SL} \\left( 2 {\\mid} 1 \\right) at k=-\\frac{1}{2} and 1, the Bershadsky-Polyakov algebra W_3^{(2)} and the Feigin-Semikhatov algebras W_n^{(2)}. These examples have been chosen because they represent the most accessible, and most useful, members of the three best-understood families of logarithmic conformal field theories. The logarithmic minimal models \\mathfrak {W} (q,p), the fractional level Wess-Zumino-Witten models, and the Wess-Zumino-Witten models on Lie supergroups (excluding \\mathsf {OSP} \\left( 1 {\\mid} 2n \\right)). In this review, the emphasis lies on the representation theory

  19. SPRAY FOAM IN ACCESSIBLE SPACES:BEST PRACTICES AND CASE STUDIES FOR RETROFIT IN MIXED-HUMID CLIMATE

    SciTech Connect

    Christian, Jeffrey E; Gant, Kathy

    2013-12-01

    Heating and cooling the house is one of the homeowners major expenses. Reducing these costs, saving energy, and creating a healthier, more comfortable indoor environment are good reasons to consider improving the building thermal envelope. Improvements usually consider increasing the amount of insulation, reducing the infiltration of outside air, and controlling moisture in existing buildings. This report describes the use of spray foam materials to insulate, seal, and control moisture. This discussion is limited to treating areas that are accessible. What is accessible, however, can vary depending on the type of renovation. If the building has been gutted or exterior surfaces removed, there are more options. This report will look at areas to consider for spray foam application and discuss the types of spray foams available and their uses. A number of case studies are presented to show the effectiveness of this retrofit in existing houses based on performance data.

  20. The effect of beta-methylation on the conformation of alpha, beta-dehydrophenylalanine: a DFT study.

    PubMed

    Broda, Małgorzata A; Buczek, Aneta; Siodłak, Dawid; Rzeszotarska, Barbara

    2009-07-01

    Dehydroamino acids are non-coded amino acids that offer unique conformational properties. Dehydrophenylalanine (DeltaPhe) is most commonly used to modify bioactive peptides to constrain the topography of the phenyl ring in the side chain, which commonly serves as a pharmacophore. The Ramachandran maps (in the gas phase and in CHCl(3) mimicking environments) of DeltaPhe analogues with methyl groups at the beta position of the side chain as well as at the C-terminal amide were calculated using the B3LYP/6-31 + G** method. Unexpectedly, beta-methylation alone results in an increase of conformational freedom of the affected DeltaPhe residue. However, further modification by introducing an additional methyl group at C-terminal methyl amide results in a steric crowding that fixes the torsion angle psi of all conformers to the value 123 degrees , regardless of the Z or E position of the phenyl ring. The number of conformers is reduced and the accessible conformational space of the residues is very limited. In particular, (Z)-Delta(betaMe)Phe with the tertiary C-terminal amide can be classified as the amino acid derivative that has a single conformational state as it seems to adopt only the beta conformation.

  1. New Interface for Accessing Archived European Space Agency Planetary Science Data, Such as the New Venus Express Atmospheric Drag Experiment Data Set

    NASA Astrophysics Data System (ADS)

    Grotheer, E.; Barbarisi, I.; Rios, C.; Macfarlane, A. J.; Docasal, R.; Arviset, C.; Besse, S.; Heather, D.; Gonzalez, J.; De Marchi, G.; Martinez, S.; Lim, T.; Fraga, D.

    2015-12-01

    All Venus Express (VEX) instruments delivered their data products according to the Planetary Data System version 3 (PDS3) standard, and the atmospheric drag experiment (ADE) data was no exception. The European Space Agency's (ESA) Planetary Science Archive (PSA), which can be accessed at www.rssd.esa.int/PSA, is being upgraded to make PDS4 data available from newer missions such as ExoMars and BepiColombo. Thus, the PSA development team has been working to ensure that the legacy PDS3 data will be accessible via the new interface as well. We will preview some of the new methods of accessing legacy VEX data via the new interface, with a focus being placed on the ADE data set. We will show how the ADE data can be accessed using Geographic Information Systems (GIS) and our plans for making this and other data sets compatible with the Virtual European Solar and Planetary Access (VESPA) project for creating a virtual observatory. From February 2010 through March 2014, ESA's Venus Express mission conducted 11 ADE campaigns. During these observation campaigns, VEX's pericenter was in the range of 165 to 190 km, while the spacecraft was near Venus' North pole, and the entire spacecraft was used to make in situ measurements of the atmospheric density. This was done by rotating the solar panels in a manner that somewhat resembles a windmill. Also, VEX 's attitude and orbit control system was tasked with maintaining the spacecraft in a 3-axis stabilized mode during these pericenter passes. The torques that the reaction wheels had to exert to maintain this attitude were then analyzed to yield density readings.

  2. Four-Channel, 8 x 8 Bit, Two-Dimensional Parallel Transmission by use of Space-Code-Division Multiple-Access Encoder and Decoder Modules.

    PubMed

    Nakamura, M; Kitayama, K; Igasaki, Y; Kaneda, K

    1998-07-10

    We experimentally demonstrate four-channel multiplexing of 64-bit (8 x 8) two-dimensional (2-D) parallel data links on the basis of optical space-code-division multiple access (CDMA) by using new modules of optical spatial encoders and a decoder with a new high-contrast 9-m-long image fiber with 3 x 10(4) cores. Each 8 x 8 bit plane (64-bit parallel data) is optically encoded with an 8 x 8, 2-D optical orthogonal signature pattern. The encoded bit planes are spatially multiplexed and transmitted through an image fiber. A receiver can recover the intended input bit plane by means of an optical decoding process. This result should encourage the application of optical space-CDMA to future high-throughput 2-D parallel data links connecting massively parallel processors.

  3. Web Accessibility and Guidelines

    NASA Astrophysics Data System (ADS)

    Harper, Simon; Yesilada, Yeliz

    Access to, and movement around, complex online environments, of which the World Wide Web (Web) is the most popular example, has long been considered an important and major issue in the Web design and usability field. The commonly used slang phrase ‘surfing the Web’ implies rapid and free access, pointing to its importance among designers and users alike. It has also been long established that this potentially complex and difficult access is further complicated, and becomes neither rapid nor free, if the user is disabled. There are millions of people who have disabilities that affect their use of the Web. Web accessibility aims to help these people to perceive, understand, navigate, and interact with, as well as contribute to, the Web, and thereby the society in general. This accessibility is, in part, facilitated by the Web Content Accessibility Guidelines (WCAG) currently moving from version one to two. These guidelines are intended to encourage designers to make sure their sites conform to specifications, and in that conformance enable the assistive technologies of disabled users to better interact with the page content. In this way, it was hoped that accessibility could be supported. While this is in part true, guidelines do not solve all problems and the new WCAG version two guidelines are surrounded by controversy and intrigue. This chapter aims to establish the published literature related to Web accessibility and Web accessibility guidelines, and discuss limitations of the current guidelines and future directions.

  4. Programmable Ultra Lightweight System Adaptable Radio (PULSAR) Low Cost Telemetry - Access from Space Advanced Technologies or Down the Middle

    NASA Technical Reports Server (NTRS)

    Sims. Herb; Varnavas, Kosta; Eberly, Eric

    2013-01-01

    Software Defined Radio (SDR) technology has been proven in the commercial sector since the early 1990's. Today's rapid advancement in mobile telephone reliability and power management capabilities exemplifies the effectiveness of the SDR technology for the modern communications market. In contrast, presently qualified satellite transponder applications were developed during the early 1960's space program. Programmable Ultra Lightweight System Adaptable Radio (PULSAR, NASA-MSFC SDR) technology revolutionizes satellite transponder technology by increasing data through-put capability by, at least, an order of magnitude. PULSAR leverages existing Marshall Space Flight Center SDR designs and commercially enhanced capabilities to provide a path to a radiation tolerant SDR transponder. These innovations will (1) reduce the cost of NASA Low Earth Orbit (LEO) and Deep Space transponders, (2) decrease power requirements, and (3) a commensurate volume reduction. Also, PULSAR increases flexibility to implement multiple transponder types by utilizing the same hardware with altered logic - no analog hardware change is required - all of which can be accomplished in orbit. This provides high capability, low cost, transponders to programs of all sizes. The final project outcome would be the introduction of a Technology Readiness Level (TRL) 7 low-cost CubeSat to SmallSat telemetry system into the NASA Portfolio.

  5. High Speed, Low Cost Telemetry Access from Space Development Update on Programmable Ultra Lightweight System Adaptable Radio (PULSAR)

    NASA Technical Reports Server (NTRS)

    Simms, William Herbert, III; Varnavas, Kosta; Eberly, Eric

    2014-01-01

    Software Defined Radio (SDR) technology has been proven in the commercial sector since the early 1990's. Today's rapid advancement in mobile telephone reliability and power management capabilities exemplifies the effectiveness of the SDR technology for the modern communications market. In contrast, the foundations of transponder technology presently qualified for satellite applications were developed during the early space program of the 1960's. Conventional transponders are built to a specific platform and must be redesigned for every new bus while the SDR is adaptive in nature and can fit numerous applications with no hardware modifications. A SDR uses a minimum amount of analog / Radio Frequency (RF) components to up/down-convert the RF signal to/from a digital format. Once the signal is digitized, all processing is performed using hardware or software logic. Typical SDR digital processes include; filtering, modulation, up/down converting and demodulation. NASA Marshall Space Flight Center (MSFC) Programmable Ultra Lightweight System Adaptable Radio (PULSAR) leverages existing MSFC SDR designs and commercial sector enhanced capabilities to provide a path to a radiation tolerant SDR transponder. These innovations (1) reduce the cost of NASA Low Earth Orbit (LEO) and Deep Space standard transponders, (2) decrease power requirements, and (3) commensurately reduce volume. A second pay-off is the increased SDR flexibility by allowing the same hardware to implement multiple transponder types simply by altering hardware logic - no change of hardware is required - all of which will ultimately be accomplished in orbit. Development of SDR technology for space applications will provide a highly capable, low cost transponder to programs of all sizes. The MSFC PULSAR Project results in a Technology Readiness Level (TRL) 7 low-cost telemetry system available to Smallsat and CubeSat missions, as well as other platforms. This paper documents the continued development and

  6. The Near-Earth Object Human Space Flight Accessible Targets Study (NHATS) List of Near-Earth Asteroids: Identifying Potential Targets for Future Exploration

    NASA Technical Reports Server (NTRS)

    Abell, Paul A.; Barbee, B. W.; Mink, R. G.; Alberding, C. M.; Adamo, D. R.; Mazanek, D. D.; Johnson, L. N.; Yeomans, D. K.; Chodas, P. W.; Chamberlin, A. B.; Benner, L. A. M.; Drake, B. G.; Friedensen, V. P.

    2012-01-01

    Over the past several years, much attention has been focused on the human exploration of near-Earth asteroids (NEAs). Two independent NASA studies examined the feasibility of sending piloted missions to NEAs [1, 2], and in 2009, the Augustine Commission identified NEAs as high profile destinations for human exploration missions beyond the Earth-Moon system [3]. More recently the current U.S. presidential administration directed NASA to include NEAs as destinations for future human exploration with the goal of sending astronauts to a NEA in the mid to late 2020s. This directive became part of the official National Space Policy of the United States of America as of June 28, 2010 [4]. Detailed planning for such deep space exploration missions and identifying potential NEAs as targets for human spaceflight requires selecting objects from the ever growing list of newly discovered NEAs. Hence NASA developed and implemented the Near-Earth Object (NEO) Human Space Flight (HSF) Accessible Target Study (NHATS), which identifies potential candidate objects on the basis of defined dynamical trajectory performance constraints.

  7. Anomalies, conformal manifolds, and spheres

    NASA Astrophysics Data System (ADS)

    Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; Schwimmer, Adam; Seiberg, Nathan; Theisen, Stefan

    2016-03-01

    The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space {M} is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail {N}=(2,2) and {N}=(0,2) supersymmetric theories in d = 2 and {N}=2 supersymmetric theories in d = 4. This reasoning leads to new information about the conformal manifolds of these theories, for example, we show that the manifold is Kähler-Hodge and we further argue that it has vanishing Kähler class. For {N}=(2,2) theories in d = 2 and {N}=2 theories in d = 4 we also show that the relation between the sphere partition function and the Kähler potential of {M} follows immediately from the appropriate sigma models that we construct. Along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.

  8. Anomalies, conformal manifolds, and spheres

    DOE PAGES

    Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; Schwimmer, Adam; Seiberg, Nathan; Theisen, Stefan

    2016-03-04

    The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads tomore » new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.« less

  9. Conformational analysis of small molecules: NMR and quantum mechanics calculations.

    PubMed

    Tormena, Cláudio F

    2016-08-01

    This review deals with conformational analysis in small organic molecules, and describes the stereoelectronic interactions responsible for conformational stability. Conformational analysis is usually performed using NMR spectroscopy through measurement of coupling constants at room or low temperature in different solvents to determine the populations of conformers in solution. Quantum mechanical calculations are used to address the interactions responsible for conformer stability. The conformational analysis of a large number of small molecules is described, using coupling constant measurements in different solvents and at low temperature, as well as recent applications of through-space and through-hydrogen bond coupling constants JFH as tools for the conformational analysis of fluorinated molecules. Besides NMR parameters, stereoelectronic interactions such as conjugative, hyperconjugative, steric and intramolecular hydrogen bond interactions involved in conformational preferences are discussed.

  10. Conformational analysis of small molecules: NMR and quantum mechanics calculations.

    PubMed

    Tormena, Cláudio F

    2016-08-01

    This review deals with conformational analysis in small organic molecules, and describes the stereoelectronic interactions responsible for conformational stability. Conformational analysis is usually performed using NMR spectroscopy through measurement of coupling constants at room or low temperature in different solvents to determine the populations of conformers in solution. Quantum mechanical calculations are used to address the interactions responsible for conformer stability. The conformational analysis of a large number of small molecules is described, using coupling constant measurements in different solvents and at low temperature, as well as recent applications of through-space and through-hydrogen bond coupling constants JFH as tools for the conformational analysis of fluorinated molecules. Besides NMR parameters, stereoelectronic interactions such as conjugative, hyperconjugative, steric and intramolecular hydrogen bond interactions involved in conformational preferences are discussed. PMID:27573182

  11. Conformational studies of nucleic acids

    SciTech Connect

    Pearlman, D.A.

    1984-11-01

    Techniques are developed for thorough examinations of the conformational energetics of nucleic acids and their constituents. The first one is a method for modeling the furanose sugar ring in nucleic acids. This method allows the coordinates corresponding to any sugar conformation to be generated rapidly and unambiguously from just the phase angle of pseudorotation. Taking advantage of this simplification, we carry out the first calculations to completely explore the conformational spaces available to the eight commonly occurring nucleosides using experimentally consistent furanose geometries and an appropriate classical potential energy force field. Results are in excellent agreement with experiment. We also develop empirically fit multiple correlation functions between the torsion angles of nucleic acids. This reduces the number of conformations which need to be considered in a thorough energetic survey for a nucleic acid. Such surveys are then carried out for two single-stranded nucleic acid tetramers: d(ApApApA) and ApApApA. We create energy contour maps for each of the 21 possible torsion angle pairs in a nucleotide repeating unit. The maps are quite consistent with the experimental distribution of oligonucleotide data and provide rationalizations for several experimentally observed angle-angle correlations. Complete energy minimization is carried out on all local minima found in the surveys. Both the maps and minimizations indicate DNA and RNA to be highly polymorphic. Conformational changes in DNA upon damage by uv radiation are also studied using energy minimization techniques. Finally, we derive a set of partial charges for a nucleotide (2'-deoxycytidine 5'-monophosphate monohydrate) from high resolution x-ray data.

  12. Notes on conformal invariance of gauge fields

    NASA Astrophysics Data System (ADS)

    Barnich, Glenn; Bekaert, Xavier; Grigoriev, Maxim

    2015-12-01

    In Lagrangian gauge systems, the vector space of global reducibility parameters forms a module under the Lie algebra of symmetries of the action. Since the classification of global reducibility parameters is generically easier than the classification of symmetries of the action, this fact can be used to constrain the latter when knowing the former. We apply this strategy and its generalization for the non-Lagrangian setting to the problem of conformal symmetry of various free higher spin gauge fields. This scheme allows one to show that, in terms of potentials, massless higher spin gauge fields in Minkowski space and partially massless (PM) fields in (A)dS space are not conformal for spin strictly greater than one, while in terms of curvatures, maximal-depth PM fields in four dimensions are also not conformal, unlike the closely related, but less constrained, maximal-depth Fradkin-Tseytlin fields.

  13. Optical multidimensional multiple access(O-MDMA): a new concept for free-space laser communication based on photonic mixer devices

    NASA Astrophysics Data System (ADS)

    Hess, Holger; Albrecht, Martin; Grothof, Markus; Hussmann, Stephan; Schwarte, Rudolf

    2004-01-01

    Working on optical distance measurement a new optical correlator was developed at the Institute for Data Processing of the University of Siegen in the last years. The so called Photonic Mixer Device (PMD), to be meant originally for laser ranging systems, offers a lot of advantages for wireless optical data communication like high speed spatial light demodulation up to the GHz range and inherent backlight suppression. This contribution describes the application of such PMDs in a free space interconnect based on the principle of Multi Dimensional Multiple Access (MDMA) and the advantages of this new approach, starting from the MDMA principle and followed by the fundamental functionality of PMDs. After that an Optical MDMA (O-MDMA) demonstrator and first measurement results will be presented.

  14. Earth Science Data Archive and Access at the NASA/Goddard Space Flight Center Distributed Active Archive Center (DAAC)

    NASA Technical Reports Server (NTRS)

    Leptoukh, Gregory

    1999-01-01

    The Goddard Distributed Active Archive Center (DAAC), as an integral part of the Earth Observing System Data and Information System (EOSDIS), is the official source of data for several important earth remote sensing missions. These include the Sea-viewing Wide-Field-of-view Sensor (SeaWiFS) launched in August 1997, the Tropical Rainfall Measuring Mission (TRMM) launched in November 1997, and the Moderate Resolution Imaging Spectroradiometer (MODIS) scheduled for launch in mid 1999 as part of the EOS AM-1 instrumentation package. The data generated from these missions supports a host of users in the hydrological, land biosphere and oceanographic research and applications communities. The volume and nature of the data present unique challenges to an Earth science data archive and distribution system such as the DAAC. The DAAC system receives, archives and distributes a large number of standard data products on a daily basis, including data files that have been reprocessed with updated calibration data or improved analytical algorithms. A World Wide Web interface is provided allowing interactive data selection and automatic data subscriptions as distribution options. The DAAC also creates customized and value-added data products, which allow additional user flexibility and reduced data volume. Another significant part of our overall mission is to provide ancillary data support services and archive support for worldwide field campaigns designed to validate the results from the various satellite-derived measurements. In addition to direct data services, accompanying documentation, WWW links to related resources, support for EOSDIS data formats, and informed response to inquiries are routinely provided to users. The current GDAAC WWW search and order system is being restructured to provide users with a simplified, hierarchical access to data. Data Browsers have been developed for several data sets to aid users in ordering data. These Browsers allow users to specify

  15. [Food environment and space accessibility evaluation to perform physical activity in 3 socially contrasting neighbourhoods of Buenos Aires city].

    PubMed

    Garipe, Leila Yasmin; Gónzalez, Verónica; Biasizzo, Antonella; Soriano, Jennifer Laila; Perman, Gaston; Giunta, Diego

    2014-01-01

    Due to the environmental influences on health, the goal of this study was to describe and compare the built environment in 3 socially contrasting neighbourhoods of Buenos Aires city.In 2011 a cross-sectional study was conducted in 3 socially contrasting neighbourhoods of Buenos Aires city: Recoleta (upper class), Almagro (middle class) and Constitución (lower class). Grocery stores and food stands were surveyed as well as all suitable spaces to perform physical activity. An analysis was conducted to assess the density of every food outlet per Km2 of each neighbourhood's area and per 10000 inhabitants. 2778 food stores and 149 outdoor physical activity facilities were surveyed. A higher density was observed in Constitución for fast food restaurants (Recoleta 3.6; Almagro 2.4; Constitución 6.7) and food stands (Recoleta 4.2; Almagro 1.2; Constitución 25.7) and a lower density for outdoor physical activity facilities. Population density and area density proved to be analogous. Statistically relevant differences were observed regarding the dimension of each food outlet: grocery stores, fruit stands, pubs, restaurants and food stands, as well as in the number of food stores and outdoor physical activity facilities. The information gathered in this study could be highly useful for public health policies on healthy lifestyles, and could eventually redefine the built environment in order to improve the city's equality regarding outdoor physical activity facilities and food stores. PMID:25647550

  16. [Food environment and space accessibility evaluation to perform physical activity in 3 socially contrasting neighbourhoods of Buenos Aires city].

    PubMed

    Garipe, Leila Yasmin; Gónzalez, Verónica; Biasizzo, Antonella; Soriano, Jennifer Laila; Perman, Gaston; Giunta, Diego

    2014-01-01

    Due to the environmental influences on health, the goal of this study was to describe and compare the built environment in 3 socially contrasting neighbourhoods of Buenos Aires city.In 2011 a cross-sectional study was conducted in 3 socially contrasting neighbourhoods of Buenos Aires city: Recoleta (upper class), Almagro (middle class) and Constitución (lower class). Grocery stores and food stands were surveyed as well as all suitable spaces to perform physical activity. An analysis was conducted to assess the density of every food outlet per Km2 of each neighbourhood's area and per 10000 inhabitants. 2778 food stores and 149 outdoor physical activity facilities were surveyed. A higher density was observed in Constitución for fast food restaurants (Recoleta 3.6; Almagro 2.4; Constitución 6.7) and food stands (Recoleta 4.2; Almagro 1.2; Constitución 25.7) and a lower density for outdoor physical activity facilities. Population density and area density proved to be analogous. Statistically relevant differences were observed regarding the dimension of each food outlet: grocery stores, fruit stands, pubs, restaurants and food stands, as well as in the number of food stores and outdoor physical activity facilities. The information gathered in this study could be highly useful for public health policies on healthy lifestyles, and could eventually redefine the built environment in order to improve the city's equality regarding outdoor physical activity facilities and food stores.

  17. NASA Affordable Vehicle Avionics (AVA): Common Modular Avionics System for Nano-Launchers Offering Affordable Access to Space

    NASA Technical Reports Server (NTRS)

    Cockrell, James

    2015-01-01

    Small satellites are becoming ever more capable of performing valuable missions for both government and commercial customers. However, currently these satellites can only be launched affordably as secondary payloads. This makes it difficult for the small satellite mission to launch when needed, to the desired orbit, and with acceptable risk. NASA Ames Research Center has developed and tested a prototype low-cost avionics package for space launch vehicles that provides complete GNC functionality in a package smaller than a tissue box with a mass less than 0.84 kg. AVA takes advantage of commercially available, low-cost, mass-produced, miniaturized sensors, filtering their more noisy inertial data with realtime GPS data. The goal of the Advanced Vehicle Avionics project is to produce and flight-verify a common suite of avionics and software that deliver affordable, capable GNC and telemetry avionics with application to multiple nano-launch vehicles at 1 the cost of current state-of-the-art avionics.

  18. Conformational Restriction of Peptides Using Dithiol Bis-Alkylation.

    PubMed

    Peraro, L; Siegert, T R; Kritzer, J A

    2016-01-01

    Macrocyclic peptides are highly promising as inhibitors of protein-protein interactions. While many bond-forming reactions can be used to make cyclic peptides, most have limitations that make this chemical space challenging to access. Recently, a variety of cysteine alkylation reactions have been used in rational design and library approaches for cyclic peptide discovery and development. We and others have found that this chemistry is versatile and robust enough to produce a large variety of conformationally constrained cyclic peptides. In this chapter, we describe applications, methods, mechanistic insights, and troubleshooting for dithiol bis-alkylation reactions for the production of cyclic peptides. This method for efficient solution-phase macrocyclization is highly useful for the rapid production and screening of loop-based inhibitors of protein-protein interactions. PMID:27586339

  19. Logarithmic conformal field theory

    NASA Astrophysics Data System (ADS)

    Gainutdinov, Azat; Ridout, David; Runkel, Ingo

    2013-12-01

    Conformal field theory (CFT) has proven to be one of the richest and deepest subjects of modern theoretical and mathematical physics research, especially as regards statistical mechanics and string theory. It has also stimulated an enormous amount of activity in mathematics, shaping and building bridges between seemingly disparate fields through the study of vertex operator algebras, a (partial) axiomatisation of a chiral CFT. One can add to this that the successes of CFT, particularly when applied to statistical lattice models, have also served as an inspiration for mathematicians to develop entirely new fields: the Schramm-Loewner evolution and Smirnov's discrete complex analysis being notable examples. When the energy operator fails to be diagonalisable on the quantum state space, the CFT is said to be logarithmic. Consequently, a logarithmic CFT is one whose quantum space of states is constructed from a collection of representations which includes reducible but indecomposable ones. This qualifier arises because of the consequence that certain correlation functions will possess logarithmic singularities, something that contrasts with the familiar case of power law singularities. While such logarithmic singularities and reducible representations were noted by Rozansky and Saleur in their study of the U (1|1) Wess-Zumino-Witten model in 1992, the link between the non-diagonalisability of the energy operator and logarithmic singularities in correlators is usually ascribed to Gurarie's 1993 article (his paper also contains the first usage of the term 'logarithmic conformal field theory'). The class of CFTs that were under control at this time was quite small. In particular, an enormous amount of work from the statistical mechanics and string theory communities had produced a fairly detailed understanding of the (so-called) rational CFTs. However, physicists from both camps were well aware that applications from many diverse fields required significantly more

  20. CONSENSUS AND CONFORMITY.

    ERIC Educational Resources Information Center

    ALLEN, VERNON L.; LEVINE, JOHN M.

    IN THIS STUDY, PROFESSOR ALLEN EMPLOYS TWO METHODS OF BREAKING GROUP CONSENSUS, AND HE MEASURES THE EFFECTS ON THE RESPONSES OF COLLEGE SUBJECTS TO BOTH OBJECTIVE AND SUBJECTIVE STIMULI. THE RESULTS SUGGEST THE NEED FOR MODIFICATION OF EXISTING THEORIES OF CONFORMITY BEHAVIOR. IN ADDITION, THESE RESULTS EMPHASIZE THE DIFFERENCES IN CONFORMITY OF…

  1. The conformal method and the conformal thin-sandwich method are the same

    NASA Astrophysics Data System (ADS)

    Maxwell, David

    2014-07-01

    The conformal method developed in the 1970s and the more recent Lagrangian and Hamiltonian conformal thin-sandwich methods are techniques for finding solutions of the Einstein constraint equations. We show that they are manifestations of a single conformal method: there is a straightforward way to convert back and forth between the parameters for these methods so that the corresponding solutions of the Einstein constraint equations agree. The unifying idea is the need to clearly distinguish tangent and cotangent vectors to the space of conformal classes on a manifold, and we introduce a vocabulary for working with these objects without reference to a particular representative background metric. As a consequence of these conceptual advantages, we demonstrate how to strengthen previous near-CMC (constant mean curvature) existence and non-existence theorems for the original conformal method to include metrics with scalar curvatures that change sign.

  2. Conformational properties of oxazoline-amino acids

    NASA Astrophysics Data System (ADS)

    Staś, Monika; Broda, Małgorzata A.; Siodłak, Dawid

    2016-04-01

    Oxazoline-amino acids (Xaa-Ozn) occur in natural peptides of potentially important bioactivity. The conformations of the model compounds: Ac-(S)-Ala-Ozn(4R-Me), Ac-(S)-Ala-Ozn(4S-Me), and (gauche+, gauche-, anti) Ac-(S)-Val-Ozn(4R-Me) were studied at meta-hybrid M06-2X/6-311++G(d,p) method including solvent effect. Boc-L-Ala-L-Ozn-4-COOMe and Boc-L-Val-L-Ozn-4-COOMe were synthesized and studied by FT-IR and NMR-NOE methods. The conformations in crystal state were gathered from the Cambridge Structural Data Base. The main conformational feature of the oxazoline amino acids is the conformation β2 (ϕ,ψ ∼ -161°, -6°), which predominates in weakly polar environment and still is accessible in polar surrounding. The changes of the conformational preferences towards the conformations αR (ϕ,ψ ∼ -70°, -15°) and then β (ϕ,ψ ∼ -57°, -155°) are observed with increase of the environment polarity.

  3. Constrained proper sampling of conformations of transition state ensemble of protein folding.

    PubMed

    Lin, Ming; Zhang, Jian; Lu, Hsiao-Mei; Chen, Rong; Liang, Jie

    2011-02-21

    Characterizing the conformations of protein in the transition state ensemble (TSE) is important for studying protein folding. A promising approach pioneered by Vendruscolo et al. [Nature (London) 409, 641 (2001)] to study TSE is to generate conformations that satisfy all constraints imposed by the experimentally measured φ values that provide information about the native likeness of the transition states. Faísca et al. [J. Chem. Phys. 129, 095108 (2008)] generated conformations of TSE based on the criterion that, starting from a TS conformation, the probabilities of folding and unfolding are about equal through Markov Chain Monte Carlo (MCMC) simulations. In this study, we use the technique of constrained sequential Monte Carlo method [Lin et al., J. Chem. Phys. 129, 094101 (2008); Zhang et al. Proteins 66, 61 (2007)] to generate TSE conformations of acylphosphatase of 98 residues that satisfy the φ-value constraints, as well as the criterion that each conformation has a folding probability of 0.5 by Monte Carlo simulations. We adopt a two stage process and first generate 5000 contact maps satisfying the φ-value constraints. Each contact map is then used to generate 1000 properly weighted conformations. After clustering similar conformations, we obtain a set of properly weighted samples of 4185 candidate clusters. Representative conformation of each of these cluster is then selected and 50 runs of Markov chain Monte Carlo (MCMC) simulation are carried using a regrowth move set. We then select a subset of 1501 conformations that have equal probabilities to fold and to unfold as the set of TSE. These 1501 samples characterize well the distribution of transition state ensemble conformations of acylphosphatase. Compared with previous studies, our approach can access much wider conformational space and can objectively generate conformations that satisfy the φ-value constraints and the criterion of 0.5 folding probability without bias. In contrast to previous

  4. Molecular conformational changes in articular cartilage using NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Barone, Justin; Schmidt, Walter

    2004-03-01

    NMR spectroscopy is used to study the conformational changes of the collagen and glycosaminoglycan molecules in bovine articular cartilage. Molecular conformation will change with the charge on each molecule. The charge on each molecule varies spatially throughout the cartilage. For a given point in space, the charge on each molecule can be screened by placing the cartilage in an increasingly ionic environment. The conformational changes are noted through changes in the chemical shifts in the NMR spectrum as a function of salt concentration.

  5. Quantifying macromolecular conformational transition pathways

    NASA Astrophysics Data System (ADS)

    Seyler, Sean; Kumar, Avishek; Thorpe, Michael; Beckstein, Oliver

    2015-03-01

    Diverse classes of proteins function through large-scale conformational changes that are challenging for computer simulations. A range of fast path-sampling techniques have been used to generate transitions, but it has been difficult to compare paths from (and assess the relative strengths of) different methods. We introduce a comprehensive method (pathway similarity analysis, PSA) for quantitatively characterizing and comparing macromolecular pathways. The Hausdorff and Fréchet metrics (known from computational geometry) are used to quantify the degree of similarity between polygonal curves in configuration space. A strength of PSA is its use of the full information available from the 3 N-dimensional configuration space trajectory without requiring additional specific knowledge about the system. We compare a sample of eleven different methods for the closed-to-open transitions of the apo enzyme adenylate kinase (AdK) and also apply PSA to an ensemble of 400 AdK trajectories produced by dynamic importance sampling MD and the Geometrical Pathways algorithm. We discuss the method's potential to enhance our understanding of transition path sampling methods, validate them, and help guide future research toward deeper physical insights into conformational transitions.

  6. FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs.

    PubMed

    Zimmerman, Maxwell I; Bowman, Gregory R

    2015-12-01

    Molecular dynamics simulations are a powerful means of understanding conformational changes. However, it is still difficult to simulate biologically relevant time scales without the use of specialized supercomputers. Here, we introduce a goal-oriented sampling method, called fluctuation amplification of specific traits (FAST), for extending the capabilities of commodity hardware. This algorithm rapidly searches conformational space for structures with desired properties by balancing trade-offs between focused searches around promising solutions (exploitation) and trying novel solutions (exploration). FAST was inspired by the hypothesis that many physical properties have an overall gradient in conformational space, akin to the energetic gradients that are known to guide proteins to their folded states. For example, we expect that transitioning from a conformation with a small solvent-accessible surface area to one with a large surface area will require passing through a series of conformations with steadily increasing surface areas. We demonstrate that such gradients are common through retrospective analysis of existing Markov state models (MSMs). Then we design the FAST algorithm to exploit these gradients to find structures with desired properties by (1) recognizing and amplifying structural fluctuations along gradients that optimize a selected physical property whenever possible, (2) overcoming barriers that interrupt these overall gradients, and (3) rerouting to discover alternative paths when faced with insurmountable barriers. To test FAST, we compare its performance to other methods for three common types of problems: (1) identifying unexpected binding pockets, (2) discovering the preferred paths between specific structures, and (3) folding proteins. Our conservative estimate is that FAST outperforms conventional simulations and an adaptive sampling algorithm by at least an order of magnitude. Furthermore, FAST yields both the proper thermodynamics and

  7. FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs.

    PubMed

    Zimmerman, Maxwell I; Bowman, Gregory R

    2015-12-01

    Molecular dynamics simulations are a powerful means of understanding conformational changes. However, it is still difficult to simulate biologically relevant time scales without the use of specialized supercomputers. Here, we introduce a goal-oriented sampling method, called fluctuation amplification of specific traits (FAST), for extending the capabilities of commodity hardware. This algorithm rapidly searches conformational space for structures with desired properties by balancing trade-offs between focused searches around promising solutions (exploitation) and trying novel solutions (exploration). FAST was inspired by the hypothesis that many physical properties have an overall gradient in conformational space, akin to the energetic gradients that are known to guide proteins to their folded states. For example, we expect that transitioning from a conformation with a small solvent-accessible surface area to one with a large surface area will require passing through a series of conformations with steadily increasing surface areas. We demonstrate that such gradients are common through retrospective analysis of existing Markov state models (MSMs). Then we design the FAST algorithm to exploit these gradients to find structures with desired properties by (1) recognizing and amplifying structural fluctuations along gradients that optimize a selected physical property whenever possible, (2) overcoming barriers that interrupt these overall gradients, and (3) rerouting to discover alternative paths when faced with insurmountable barriers. To test FAST, we compare its performance to other methods for three common types of problems: (1) identifying unexpected binding pockets, (2) discovering the preferred paths between specific structures, and (3) folding proteins. Our conservative estimate is that FAST outperforms conventional simulations and an adaptive sampling algorithm by at least an order of magnitude. Furthermore, FAST yields both the proper thermodynamics and

  8. Performance of asynchronous fiber-optic code division multiple access system based on three-dimensional wavelength/time/space codes and its link analysis.

    PubMed

    Singh, Jaswinder

    2010-03-10

    A novel family of three-dimensional (3-D) wavelength/time/space codes for asynchronous optical code-division-multiple-access (CDMA) systems with "zero" off-peak autocorrelation and "unity" cross correlation is reported. Antipodal signaling and differential detection is employed in the system. A maximum of [(W x T+1) x W] codes are generated for unity cross correlation, where W and T are the number of wavelengths and time chips used in the code and are prime. The conditions for violation of the cross-correlation constraint are discussed. The expressions for number of generated codes are determined for various code dimensions. It is found that the maximum number of codes are generated for S < or = min(W,T), where W and T are prime and S is the number of space channels. The performance of these codes is compared to the earlier reported two-dimensional (2-D)/3-D codes for asynchronous systems. The codes have a code-set-size to code-size ratio greater than W/S. For instance, with a code size of 2065 (59 x 7 x 5), a total of 12,213 users can be supported, and 130 simultaneous users at a bit-error rate (BER) of 10(-9). An arrayed-waveguide-grating-based reconfigurable encoder/decoder design for 2-D implementation for the 3-D codes is presented so that the need for multiple star couplers and fiber ribbons is eliminated. The hardware requirements of the coders used for various modulation/detection schemes are given. The effect of insertion loss in the coders is shown to be significantly reduced with loss compensation by using an amplifier after encoding. An optical CDMA system for four users is simulated and the results presented show the improvement in performance with the use of loss compensation.

  9. Conformation analysis of intermediates of analogues of Tamoxifen

    NASA Astrophysics Data System (ADS)

    Kapiller-Dezsőfi, Rita; Németh, Gábor; Lax, Györgyi; Simig, Gyula; Sohár, Pál

    1998-01-01

    The configuration and the conformation of two trifluoromethyl-triaryl-ethane diastereomer pairs and of some sole isomers were determined using the through-space spin-spin coupling between fluorine atoms and the hydrogen of the hydroxyl group. The molecule-mechanical calculations support the results of the conformation-analysis based on the NMR data.

  10. Logarithmic conformal field theory

    NASA Astrophysics Data System (ADS)

    Gainutdinov, Azat; Ridout, David; Runkel, Ingo

    2013-12-01

    Conformal field theory (CFT) has proven to be one of the richest and deepest subjects of modern theoretical and mathematical physics research, especially as regards statistical mechanics and string theory. It has also stimulated an enormous amount of activity in mathematics, shaping and building bridges between seemingly disparate fields through the study of vertex operator algebras, a (partial) axiomatisation of a chiral CFT. One can add to this that the successes of CFT, particularly when applied to statistical lattice models, have also served as an inspiration for mathematicians to develop entirely new fields: the Schramm-Loewner evolution and Smirnov's discrete complex analysis being notable examples. When the energy operator fails to be diagonalisable on the quantum state space, the CFT is said to be logarithmic. Consequently, a logarithmic CFT is one whose quantum space of states is constructed from a collection of representations which includes reducible but indecomposable ones. This qualifier arises because of the consequence that certain correlation functions will possess logarithmic singularities, something that contrasts with the familiar case of power law singularities. While such logarithmic singularities and reducible representations were noted by Rozansky and Saleur in their study of the U (1|1) Wess-Zumino-Witten model in 1992, the link between the non-diagonalisability of the energy operator and logarithmic singularities in correlators is usually ascribed to Gurarie's 1993 article (his paper also contains the first usage of the term 'logarithmic conformal field theory'). The class of CFTs that were under control at this time was quite small. In particular, an enormous amount of work from the statistical mechanics and string theory communities had produced a fairly detailed understanding of the (so-called) rational CFTs. However, physicists from both camps were well aware that applications from many diverse fields required significantly more

  11. A disulfide-stabilized conformer of methionine synthase reveals an unexpected role for the histidine ligand of the cobalamin cofactor

    SciTech Connect

    Datta, Supratim; Koutmos, Markos; Pattridge, Katherine A.; Ludwig, Martha L.; Matthews, Rowena G.

    2008-07-08

    B{sub 12}-dependent methionine synthase (MetH) from Escherichia coli is a large modular protein that is alternately methylated by methyltetrahydrofolate to form methylcobalamin and demethylated by homocysteine to form cob(I)alamin. Major domain rearrangements are required to allow cobalamin to react with three different substrates: homocysteine, methyltetrahydrofolate, and S-adenosyl-l-methionine (AdoMet). These same rearrangements appear to preclude crystallization of the wild-type enzyme. Disulfide cross-linking was used to lock a C-terminal fragment of the enzyme into a unique conformation. Cysteine point mutations were introduced at Ile-690 and Gly-743. These cysteine residues span the cap and the cobalamin-binding module and form a cross-link that reduces the conformational space accessed by the enzyme, facilitating protein crystallization. Here, we describe an x-ray structure of the mutant fragment in the reactivation conformation; this conformation enables the transfer of a methyl group from AdoMet to the cobalamin cofactor. In the structure, the axial ligand to the cobalamin, His-759, dissociates from the cobalamin and forms intermodular contacts with residues in the AdoMet-binding module. This unanticipated intermodular interaction is expected to play a major role in controlling the distribution of conformers required for the catalytic and the reactivation cycles of the enzyme.

  12. Conformations of an adenine bulge in a DNA octamer and its influence on DNA structure from molecular dynamics simulations.

    PubMed Central

    Feig, M; Zacharias, M; Pettitt, B M

    2001-01-01

    Molecular dynamics simulations have been applied to the DNA octamer d(GCGCA-GAAC). d(GTTCGCGC), which has an adenine bulge at the center to determine the pathway for interconversion between the stacked and extended forms. These forms are known to be important in the molecular recognition of bulges. From a total of ~35 ns of simulation time with the most recent CHARMM27 force field a variety of distinct conformations and subconformations are found. Stacked and fully looped-out forms are in excellent agreement with experimental data from NMR and x-ray crystallography. Furthermore, in a number of conformations the bulge base associates with the minor groove to varying degrees. Transitions between many of the conformations are observed in the simulations and used to propose a complete transition pathway between the stacked and fully extended conformations. The effect on the surrounding DNA sequence is investigated and biological implications of the accessible conformational space and the suggested transition pathway are discussed, in particular for the interaction of the MS2 replicase operator RNA with its coat protein. PMID:11423420

  13. Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.

    PubMed

    Corr, Michael J; Cormanich, Rodrigo A; von Hahmann, Cortney N; Bühl, Michael; Cordes, David B; Slawin, Alexandra M Z; O'Hagan, David

    2016-01-01

    The CF2 group is incorporated into specific positions within the lactone ring of the natural musk lactone, (12R)-(+)-12-methyl-13-tridecanolide, a constituent of Angelica root oil, Angelica archangelica L. The approach is taken as it was anticipated that CF2 groups would dictate corner locations in the macrocycle and limit the conformational space available to the lactone. Three fluorine containing lactones are prepared by organic synthesis. One (8) has CF2 groups located at the C-6 and C-9 positions, another (9) with CF2 groups at the C-5 and C-9 positions, and a third (10) with a CF2 group at C-8. Two of the fluorine containing lactones (8 and 10) were sufficiently crystalline to obtain X-ray crystal structures which revealed that the CF2 groups do adopt corner locations. All three lactones were subject to computational analysis at the B3LYP-D3/6-311+G** level to assess the relative energies of different conformers. In all cases, the global minima and most of the lowest energy minima have squared/rectangular geometries and located the CF2 groups at the corners. The lowest energy structures for 8 and 10 closely approximated the observed X-ray structures, suggesting good convergence of theory and experiment in determining relevant low energy conformations. All three compounds retained a pleasant odour suggesting the rings retained sufficient conformational flexibility to access relevant olfactory conformations. PMID:26584449

  14. Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.

    PubMed

    Corr, Michael J; Cormanich, Rodrigo A; von Hahmann, Cortney N; Bühl, Michael; Cordes, David B; Slawin, Alexandra M Z; O'Hagan, David

    2016-01-01

    The CF2 group is incorporated into specific positions within the lactone ring of the natural musk lactone, (12R)-(+)-12-methyl-13-tridecanolide, a constituent of Angelica root oil, Angelica archangelica L. The approach is taken as it was anticipated that CF2 groups would dictate corner locations in the macrocycle and limit the conformational space available to the lactone. Three fluorine containing lactones are prepared by organic synthesis. One (8) has CF2 groups located at the C-6 and C-9 positions, another (9) with CF2 groups at the C-5 and C-9 positions, and a third (10) with a CF2 group at C-8. Two of the fluorine containing lactones (8 and 10) were sufficiently crystalline to obtain X-ray crystal structures which revealed that the CF2 groups do adopt corner locations. All three lactones were subject to computational analysis at the B3LYP-D3/6-311+G** level to assess the relative energies of different conformers. In all cases, the global minima and most of the lowest energy minima have squared/rectangular geometries and located the CF2 groups at the corners. The lowest energy structures for 8 and 10 closely approximated the observed X-ray structures, suggesting good convergence of theory and experiment in determining relevant low energy conformations. All three compounds retained a pleasant odour suggesting the rings retained sufficient conformational flexibility to access relevant olfactory conformations.

  15. CONSTRUCTING SURROGATE MODELS OF COMPLEX SYSTEMS WITH ENHANCED SPARSITY: QUANTIFYING THE INFLUENCE OF CONFORMATIONAL UNCERTAINTY IN BIOMOLECULAR SOLVATION*

    PubMed Central

    Lei, H.; Yang, X.; Zheng, B.; Lin, G.; Baker, N. A.

    2015-01-01

    Biomolecules exhibit conformational fluctuations near equilibrium states, inducing uncertainty in various biological properties in a dynamic way. We have developed a general method to quantify the uncertainty of target properties induced by conformational fluctuations. Using a generalized polynomial chaos (gPC) expansion, we construct a surrogate model of the target property with respect to varying conformational states. To alleviate the high-dimensionality of the corresponding stochastic space, we propose a method to increase the sparsity of the gPC expansion by defining a set of conformational “active space” random variables. With the increased sparsity, we employ the compressive sensing method to accurately construct the surrogate model. We demonstrate the performance of the surrogate model by evaluating fluctuation-induced uncertainty in solvent-accessible surface area for the bovine trypsin inhibitor protein system and show that the new approach offers more accurate statistical information than standard Monte Carlo approaches. Furthermore, the constructed surrogate model also enables us to directly evaluate the target property under various conformational states, yielding a more accurate response surface than standard sparse grid collocation methods. In particular, the new method provides higher accuracy in high-dimensional systems, such as biomolecules, where sparse grid performance is limited by the accuracy of the computed quantity of interest. Our new framework is generalizable and can be used to investigate the uncertainty of a wide variety of target properties in biomolecular systems. PMID:26766929

  16. Protein Conformational Populations and Functionally Relevant Sub-states

    SciTech Connect

    Agarwal, Pratul K; Burger, Virginia; Savol, Andrej; Ramanathan, Arvind; Chennubhotla, Chakra

    2013-01-01

    Functioning proteins do not remain fixed in a unique structure, but instead they sample a range of conformations facilitated by motions within the protein. Even in the native state, a protein exists as a collection of interconverting conformations driven by thermodynamic fluctuations. Motions on the fast time scale allow a protein to sample conformations in the nearby area of its conformational landscape, while motions on slower time scales give it access to conformations in distal areas of the landscape. Emerging evidence indicates that protein landscapes contain conformational substates with dynamic and structural features that support the designated function of the protein. Nuclear magnetic resonance (NMR) experiments provide information about conformational ensembles of proteins. X-ray crystallography allows researchers to identify the most populated states along the landscape, and computational simulations give atom-level information about the conformational substates of different proteins. This ability to characterize and obtain quantitative information about the conformational substates and the populations of proteins within them is allowing researchers to better understand the relationship between protein structure and dynamics and the mechanisms of protein function. In this Account, we discuss recent developments and challenges in the characterization of functionally relevant conformational populations and substates of proteins. In some enzymes, the sampling of functionally relevant conformational substates is connected to promoting the overall mechanism of catalysis. For example, the conformational landscape of the enzyme dihydrofolate reductase has multiple substates, which facilitate the binding and the release of the cofactor and substrate and catalyze the hydride transfer. For the enzyme cyclophilin A, computational simulations reveal that the long time scale conformational fluctuations enable the enzyme to access conformational substates that allow

  17. Granting Each Equal Access.

    ERIC Educational Resources Information Center

    Walling, Linda Lucas

    1992-01-01

    Summarizes federal legislation regarding equal access for students with disabilities and discusses environmental barriers to accessibility in the library media center. Solutions to these design problems are suggested in the following areas: material formats and space requirements; the physical setting, including furniture, floor coverings,…

  18. Conformally flat Lorentzian manifolds with special holonomy groups

    SciTech Connect

    Galaev, A S

    2013-09-30

    We obtain a local classification of conformally flat Lorentzian manifolds with special holonomy groups. The corresponding local metrics are certain extensions of Riemannian spaces of constant sectional curvature to Walker metrics. Bibliography: 28 titles.

  19. Bianchi type-I models with conformally invariant scalar field

    SciTech Connect

    Accioly, A.J.; Vaidya, A.N.; Som, M.M.

    1983-05-15

    The solutions of the Einstein equations with the trace-free energy-momentum tensor of conformally invariant scalar field as source are obtained in a spatially homogeneous anisotropic space-time. Some interesting features of the solutions are discussed.

  20. Development of improved potting and conformal coating compounds

    NASA Technical Reports Server (NTRS)

    Webster, J. A.

    1969-01-01

    Improved organic potting and conformal coating materials protect fragile electronic components and circuitry from mechanical shock and vibration, moisture, and corrosion. These materials meet specifications covering resistance to cycling, radiation, flammability, and sterilizing agents for certain space applications.

  1. Pilot Non-Conformance to Alerting System Commands

    NASA Technical Reports Server (NTRS)

    Pritchett, Amy R.; Hansman, R. John

    1997-01-01

    Instances of pilot non-conformance to alerting system commands have been identified in previous studies. Pilot non-conformance changes the final behavior of the system, and therefore may reduce actual performance from that anticipated. A simulator study has examined pilot non-conformance, using the task of collision avoidance during closely spaced parallel approaches as a case study. Consonance between the display and the alerting system was found to significantly improve subject agreement with automatic alerts. Based on these results, a more general discussion of the factors involved in pilot conformance is given, and design guidelines for alerting systems are given.

  2. Conformal array design on arbitrary polygon surface with transformation optics

    NASA Astrophysics Data System (ADS)

    Deng, Li; Wu, Yongle; Hong, Weijun; Zhu, Jianfeng; Peng, Biao; Li, Shufang

    2016-06-01

    A transformation-optics based method to design a conformal antenna array on an arbitrary polygon surface is proposed and demonstrated in this paper. This conformal antenna array can be adjusted to behave equivalently as a uniformly spaced linear array by applying an appropriate transformation medium. An typical example of general arbitrary polygon conformal arrays, not limited to circular array, is presented, verifying the proposed approach. In summary, the novel arbitrary polygon surface conformal array can be utilized in array synthesis and beam-forming, maintaining all benefits of linear array.

  3. Isoperimetric inequality on conformally hyperbolic manifolds

    SciTech Connect

    Kesel'man, V M

    2003-04-30

    It is shown that on an arbitrary non-compact Riemannian manifold of conformally hyperbolic type the isoperimetric inequality can be taken by a conformal change of the metric to the same canonical linear form as in the case of the standard hyperbolic Lobachevskii space. Both the absolute isoperimetric inequality and the relative one (for manifolds with boundary) are obtained. This work develops the results and methods of a joint paper with Zorich, in which the absolute isoperimetric inequality was obtained under a certain additional condition; the resulting statements are definitive in a certain sense.

  4. Enhancing Scientific Collaboration, Transparency, and Public Access: Utilizing the Second Life Platform to Convene a Scientific Conference in 3-D Virtual Space

    NASA Astrophysics Data System (ADS)

    McGee, B. W.

    2006-12-01

    Recent studies reveal a general mistrust of science as well as a distorted perception of the scientific method by the public at-large. Concurrently, the number of science undergraduate and graduate students is in decline. By taking advantage of emergent technologies not only for direct public outreach but also to enhance public accessibility to the science process, it may be possible to both begin a reversal of popular scientific misconceptions and to engage a new generation of scientists. The Second Life platform is a 3-D virtual world produced and operated by Linden Research, Inc., a privately owned company instituted to develop new forms of immersive entertainment. Free and downloadable to the public, Second Life offers an imbedded physics engine, streaming audio and video capability, and unlike other "multiplayer" software, the objects and inhabitants of Second Life are entirely designed and created by its users, providing an open-ended experience without the structure of a traditional video game. Already, educational institutions, virtual museums, and real-world businesses are utilizing Second Life for teleconferencing, pre-visualization, and distance education, as well as to conduct traditional business. However, the untapped potential of Second Life lies in its versatility, where the limitations of traditional scientific meeting venues do not exist, and attendees need not be restricted by prohibitive travel costs. It will be shown that the Second Life system enables scientific authors and presenters at a "virtual conference" to display figures and images at full resolution, employ audio-visual content typically not available to conference organizers, and to perform demonstrations or premier three-dimensional renderings of objects, processes, or information. An enhanced presentation like those possible with Second Life would be more engaging to non- scientists, and such an event would be accessible to the general users of Second Life, who could have an

  5. The conformations of cyclooctene: consequences for epoxidation chemistry.

    PubMed

    Neuenschwander, Ulrich; Hermans, Ive

    2011-12-16

    The conformational space of cyclooctene has been explored computationally in order to rationalize its high epoxidation selectivity. Four different conformations were identified. Each conformation is chiral and has two enantiomeric forms. The degeneracy is further increased by a ring-inversion process, yielding a total of 16 conformers. The potential energy surface for the interconversion of these conformers was characterized via intrinsic reaction coordinate analyses. Furthermore, an evaluation of the microcanonical partition functions allowed for a quantification of the entropy contributions and hence the calculation of the equilibrium composition at different temperatures. The results strongly suggest that the high epoxidation selectivity, typically observed for cyclooctene, is related to a poor σ(C-αH)-π(C═C) orbital overlap in the predominant conformation, disfavoring αH-abstraction by radical species and thus allylic byproduct formation via undesired homolytic side-reactions.

  6. A new automatic synthetic aperture radar-based flood mapping application hosted on the European Space Agency's Grid Processing of Demand Fast Access to Imagery environment

    NASA Astrophysics Data System (ADS)

    Matgen, Patrick; Giustarini, Laura; Hostache, Renaud

    2012-10-01

    This paper introduces an automatic flood mapping application that is hosted on the Grid Processing on Demand (GPOD) Fast Access to Imagery (Faire) environment of the European Space Agency. The main objective of the online application is to deliver operationally flooded areas using both recent and historical acquisitions of SAR data. Having as a short-term target the flooding-related exploitation of data generated by the upcoming ESA SENTINEL-1 SAR mission, the flood mapping application consists of two building blocks: i) a set of query tools for selecting the "crisis image" and the optimal corresponding "reference image" from the G-POD archive and ii) an algorithm for extracting flooded areas via change detection using the previously selected "crisis image" and "reference image". Stakeholders in flood management and service providers are able to log onto the flood mapping application to get support for the retrieval, from the rolling archive, of the most appropriate reference image. Potential users will also be able to apply the implemented flood delineation algorithm. The latter combines histogram thresholding, region growing and change detection as an approach enabling the automatic, objective and reliable flood extent extraction from SAR images. Both algorithms are computationally efficient and operate with minimum data requirements. The case study of the high magnitude flooding event that occurred in July 2007 on the Severn River, UK, and that was observed with a moderateresolution SAR sensor as well as airborne photography highlights the performance of the proposed online application. The flood mapping application on G-POD can be used sporadically, i.e. whenever a major flood event occurs and there is a demand for SAR-based flood extent maps. In the long term, a potential extension of the application could consist in systematically extracting flooded areas from all SAR images acquired on a daily, weekly or monthly basis.

  7. Crystal Structures of the FAK Kinase in Complex with TAE226 and Related bis-anilino Pyrimidine Inhibitors Reveal a Helical DFG Conformation

    SciTech Connect

    Lietha, D.; Eck, M

    2008-01-01

    Focal Adhesion Kinase (FAK) is a non-receptor tyrosine kinase required for cell migration, proliferation and survival. FAK overexpression has been documented in diverse human cancers and is associated with a poor clinical outcome. Recently, a novel bis-anilino pyrimidine inhibitor, TAE226, was reported to efficiently inhibit FAK signaling, arrest tumor growth and invasion and prolong the life of mice with glioma or ovarian tumor implants. Here we describe the crystal structures of the FAK kinase bound to TAE226 and three related bis-anilino pyrimidine compounds. TAE226 induces a conformation of the N-terminal portion of the kinase activation loop that is only observed in FAK, but is distinct from the conformation in both the active and inactive states of the kinase. This conformation appears to require a glycine immediately N-terminal to the 'DFG motif', which adopts a helical conformation stabilized by interactions with TAE226. The presence of a glycine residue in this position contributes to the specificity of TAE226 and related compounds for FAK. Our work highlights the fact that kinases can access conformational space that is not necessarily utilized for their native catalytic regulation, and that such conformations can explain and be exploited for inhibitor specificity.

  8. Transgender Adults' Access to College Bathrooms and Housing and the Relationship to Suicidality.

    PubMed

    Seelman, Kristie L

    2016-10-01

    Transgender and gender non-conforming people frequently experience discrimination, harassment, and marginalization across college and university campuses (Bilodeau, 2007; Finger, 2010; Rankin et al., 2010; Seelman et al., 2012). The minority stress model (Meyer, 2007) posits that experiences of discrimination often negatively impact the psychological wellbeing of minority groups. However, few scholars have examined whether college institutional climate factors-such as being denied access to bathrooms or gender-appropriate campus housing-are significantly associated with detrimental psychological outcomes for transgender people. Using the National Transgender Discrimination Survey, this study analyzes whether being denied access to these spaces is associated with lifetime suicide attempts, after controlling for interpersonal victimization by students or teachers. Findings from sequential logistic regression (N = 2,316) indicate that denial of access to either space had a significant relationship to suicidality, even after controlling for interpersonal victimization. This article discusses implications for higher education professionals and researchers. PMID:26914181

  9. Extended conformal field theories

    NASA Astrophysics Data System (ADS)

    Taormina, Anne

    1990-08-01

    Some extended conformal field theories are briefly reviewed. They illustrate how non minimal models of the Virasoro algebra (c≥1) can become minimal with respect to a larger algebra. The accent is put on N-extended superconformal algebras, which are relevant in superstring compactification.

  10. Seed conformal blocks in 4D CFT

    NASA Astrophysics Data System (ADS)

    Echeverri, Alejandro Castedo; Elkhidir, Emtinan; Karateev, Denis; Serone, Marco

    2016-02-01

    We compute in closed analytical form the minimal set of "seed" conformal blocks associated to the exchange of generic mixed symmetry spinor/tensor operators in an arbitrary representation ( ℓ, overline{ℓ} ) of the Lorentz group in four dimensional conformal field theories. These blocks arise from 4-point functions involving two scalars, one (0, | ℓ - overline{7ell;} |) and one (| ℓ - overline{ℓ} |, 0) spinors or tensors. We directly solve the set of Casimir equations, that can elegantly be written in a compact form for any ( ℓ, overline{ℓ} ), by using an educated ansatz and reducing the problem to an algebraic linear system. Various details on the form of the ansatz have been deduced by using the so called shadow formalism. The complexity of the conformal blocks depends on the value of p = | ℓ - overline{ℓ} | and grows with p, in analogy to what happens to scalar conformal blocks in d even space-time dimensions as d increases. These results open the way to bootstrap 4-point functions involving arbitrary spinor/tensor operators in four dimensional conformal field theories.

  11. Global attractors of complete conformal foliations

    SciTech Connect

    Zhukova, Nina I

    2012-03-31

    We prove that every complete conformal foliation (M,F) of codimension q{>=}3 is either Riemannian or a (Conf(S{sup q}), S{sup q})-foliation. We further prove that if (M,F) is not Riemannian, it has a global attractor which is either a nontrivial minimal set or a closed leaf or a union of two closed leaves. In this theorem we do not assume that the manifold M is compact. In particular, every proper conformal non-Riemannian foliation (M,F) has a global attractor which is either a closed leaf or a union of two closed leaves, and the space of all nonclosed leaves is a connected q-dimensional orbifold. We show that every countable group of conformal transformations of the sphere S{sup q} can be realized as the global holonomy group of a complete conformal foliation. Examples of complete conformal foliations with exceptional and exotic minimal sets as global attractors are constructed. Bibliography: 20 titles.

  12. Dynamics and Conformational Energetics of a Peptide Hormone: Vasopressin

    NASA Astrophysics Data System (ADS)

    Hagler, A. T.; Osguthorpe, D. J.; Dauber-Osguthorpe, P.; Hempel, J. C.

    1985-03-01

    A theoretical methodology for use in conjunction with experiment was applied to the neurohypophyseal hormone lysine vasopressin for elucidation of its accessible molecular conformations and associated flexibility, conformational transitions, and dynamics. Molecular dynamics and energy minimization techniques make possible a description of the conformational properties of a peptide in terms of the precise positions of atoms, their fluctuations in time, and the interatomic forces acting on them. Analysis of the dynamic trajectory of lysine vasopressin shows the ability of a flexible peptide hormone to undergo spontaneous conformational transitions. The excursions of an individual phenylalanine residue exemplify the dynamic flexibility and multiple conformational states available to small peptide hormones and their component residues, even within constraints imposed by a cyclic hexapeptide ring.

  13. Conformational changes in biopolymers

    NASA Astrophysics Data System (ADS)

    Ivanov, Vassili

    2005-12-01

    Biopolymer conformational changes are involved in many biological processes. This thesis summarizes some theoretical and experimental approaches which I have taken at UCLA to explore conformational changes in biopolymers. The reversible thermal denaturation of the DNA double helix is, perhaps, the simplest example of biopolymer conformational change. I have developed a statistical mechanics model of DNA melting with reduced degrees of freedom, which allows base stacking interaction to be taken into account and treat base pairing and stacking separately. Unlike previous models, this model describes both the unpairing and unstacking parts of the experimental melting curves and explains the observed temperature dependence of the effective thermodynamic parameters used in models of the nearest neighbor type. I developed a basic kinetic model for irreversible thermal denaturation of F-actin, which incorporates depolymerization of F-actin from the ends and breaking of F-actin fiber in the middle. The model explains the cooperativity of F-actin thermal denaturation observed by D. Pavlov et al. in differential calorimetry measurements. CG-rich DNA sequences form left-handed Z-DNA at high ionic strength or upon binding of polyvalent ions and some proteins. I studied experimentally the B-to-Z transition of the (CG)6 dodecamer. Improvement of the locally linearized model used to interpret the data gives evidence for an intermediate state in the B-to-Z transition of DNA, contrary to previous research on this subject. In the past 15 years it has become possible to study the conformational changes of biomolecules using single-molecule techniques. In collaboration with other lab members I performed a single-molecule experiment, where we monitored the displacement of a micrometer-size bead tethered to a surface by a DNA probe undergoing the conformational change. This technique allows probing of conformational changes with subnanometer accuracy. We applied the method to detect

  14. The Second Space Race

    NASA Astrophysics Data System (ADS)

    Fawkes, S.

    This paper compares and contrasts the characteristics of the first space race, which ran from the late 1950s to the late 1990s, and the second space race that began with the successful space flight of SpaceShipOne in 2004. The first space race was between superpowers seeking to establish geo-political dominance in the Cold War. The second space race will be between competing companies seeking to establish low cost access to space for ordinary people. The first space race achieved its geo- political objectives but did not open up low cost access to space but rather restricted access to a select few, highly trained astronauts and cosmonauts. The second space race, driven by the size and growth of the travel and tourism industry, promises to open up access to space to millions of space tourists.

  15. Conformal Geometry of the Supercotangent and Spinor Bundles

    NASA Astrophysics Data System (ADS)

    Michel, J.-P.

    2012-06-01

    We study the actions of local conformal vector fields {X \\in conf(M,g)} on the spinor bundle of ( M, g) and on its classical counterpart: the supercotangent bundle {{M}} of ( M, g). We first deal with the classical framework and determine the Hamiltonian lift of conf ( M, g) to {{M}} . We then perform the geometric quantization of the supercotangent bundle of ( M, g), which constructs the spinor bundle as the quantum representation space. The Kosmann Lie derivative of spinors is obtained by quantization of the comoment map. The quantum and classical actions of conf ( M, g) turn, respectively, the space of differential operators acting on spinor densities and the space of their symbols into conf ( M, g)-modules. They are filtered and admit a common associated graded module. In the conformally flat case, the latter helps us determine the conformal invariants of both conf ( M, g)-modules, in particular the conformally odd powers of the Dirac operator.

  16. Reversible ratchet effects for vortices in conformal pinning arrays

    NASA Astrophysics Data System (ADS)

    Reichhardt, C.; Ray, D.; Reichhardt, C. J. Olson

    2015-05-01

    A conformal transformation of a uniform triangular pinning array produces a structure called a conformal crystal which preserves the sixfold ordering of the original lattice but contains a gradient in the pinning density. Here we use numerical simulations to show that vortices in type-II superconductors driven with an ac drive over gradient pinning arrays produce the most pronounced ratchet effect over a wide range of parameters for a conformal array, while square gradient or random gradient arrays with equivalent pinning densities give reduced ratchet effects. In the conformal array, the larger spacing of the pinning sites in the direction transverse to the ac drive permits easy funneling of interstitial vortices for one driving direction, producing the enhanced ratchet effect. In the square array, the transverse spacing between pinning sites is uniform, giving no asymmetry in the funneling of the vortices as the driving direction switches, while in the random array, there are numerous easy-flow channels present for either direction of drive. We find multiple ratchet reversals in the conformal arrays as a function of vortex density and ac amplitude, and correlate the features with a reversal in the vortex ordering, which is greater for motion in the ratchet direction. The enhanced conformal pinning ratchet effect can also be realized for colloidal particles moving over a conformal array, indicating the general usefulness of conformal structures for controlling the motion of particles.

  17. Reversible ratchet effects for vortices in conformal pinning arrays

    DOE PAGES

    Reichhardt, Charles; Ray, Dipanjan; Reichhardt, Cynthia Jane Olson

    2015-05-04

    A conformal transformation of a uniform triangular pinning array produces a structure called a conformal crystal which preserves the sixfold ordering of the original lattice but contains a gradient in the pinning density. Here we use numerical simulations to show that vortices in type-II superconductors driven with an ac drive over gradient pinning arrays produce the most pronounced ratchet effect over a wide range of parameters for a conformal array, while square gradient or random gradient arrays with equivalent pinning densities give reduced ratchet effects. In the conformal array, the larger spacing of the pinning sites in the direction transversemore » to the ac drive permits easy funneling of interstitial vortices for one driving direction, producing the enhanced ratchet effect. In the square array, the transverse spacing between pinning sites is uniform, giving no asymmetry in the funneling of the vortices as the driving direction switches, while in the random array, there are numerous easy-flow channels present for either direction of drive. We find multiple ratchet reversals in the conformal arrays as a function of vortex density and ac amplitude, and correlate the features with a reversal in the vortex ordering, which is greater for motion in the ratchet direction. In conclusion, the enhanced conformal pinning ratchet effect can also be realized for colloidal particles moving over a conformal array, indicating the general usefulness of conformal structures for controlling the motion of particles.« less

  18. Reversible ratchet effects for vortices in conformal pinning arrays

    SciTech Connect

    Reichhardt, Charles; Ray, Dipanjan; Reichhardt, Cynthia Jane Olson

    2015-05-04

    A conformal transformation of a uniform triangular pinning array produces a structure called a conformal crystal which preserves the sixfold ordering of the original lattice but contains a gradient in the pinning density. Here we use numerical simulations to show that vortices in type-II superconductors driven with an ac drive over gradient pinning arrays produce the most pronounced ratchet effect over a wide range of parameters for a conformal array, while square gradient or random gradient arrays with equivalent pinning densities give reduced ratchet effects. In the conformal array, the larger spacing of the pinning sites in the direction transverse to the ac drive permits easy funneling of interstitial vortices for one driving direction, producing the enhanced ratchet effect. In the square array, the transverse spacing between pinning sites is uniform, giving no asymmetry in the funneling of the vortices as the driving direction switches, while in the random array, there are numerous easy-flow channels present for either direction of drive. We find multiple ratchet reversals in the conformal arrays as a function of vortex density and ac amplitude, and correlate the features with a reversal in the vortex ordering, which is greater for motion in the ratchet direction. In conclusion, the enhanced conformal pinning ratchet effect can also be realized for colloidal particles moving over a conformal array, indicating the general usefulness of conformal structures for controlling the motion of particles.

  19. A new automatic SAR-based flood mapping application hosted on the European Space Agency's grid processing on demand fast access to imagery environment

    NASA Astrophysics Data System (ADS)

    Hostache, Renaud; Chini, Marco; Matgen, Patrick; Giustarini, Laura

    2013-04-01

    There is a clear need for developing innovative processing chains based on earth observation (EO) data to generate products supporting emergency response and flood management at a global scale. Here an automatic flood mapping application is introduced. The latter is currently hosted on the Grid Processing on Demand (G-POD) Fast Access to Imagery (Faire) environment of the European Space Agency. The main objective of the online application is to deliver flooded areas using both recent and historical acquisitions of SAR data in an operational framework. It is worth mentioning that the method can be applied to both medium and high resolution SAR images. The flood mapping application consists of two main blocks: 1) A set of query tools for selecting the "crisis image" and the optimal corresponding pre-flood "reference image" from the G-POD archive. 2) An algorithm for extracting flooded areas using the previously selected "crisis image" and "reference image". The proposed method is a hybrid methodology, which combines histogram thresholding, region growing and change detection as an approach enabling the automatic, objective and reliable flood extent extraction from SAR images. The method is based on the calibration of a statistical distribution of "open water" backscatter values inferred from SAR images of floods. Change detection with respect to a pre-flood reference image helps reducing over-detection of inundated areas. The algorithms are computationally efficient and operate with minimum data requirements, considering as input data a flood image and a reference image. Stakeholders in flood management and service providers are able to log onto the flood mapping application to get support for the retrieval, from the rolling archive, of the most appropriate pre-flood reference image. Potential users will also be able to apply the implemented flood delineation algorithm. Case studies of several recent high magnitude flooding events (e.g. July 2007 Severn River flood

  20. Accessibility Videos.

    PubMed

    Kurppa, Ari; Nordlund, Marika

    2016-01-01

    It can be difficult to understand accessibility, if you do not have the personal experience. The Accessibility Centre ESKE produced short videos which demonstrate the meaning of accessibility in different situations. Videos will raise accessibility awareness of architects, other planners and professionals in the construction field and maintenance. PMID:27534282

  1. Conformational flexibility of aspartame.

    PubMed

    Toniolo, Claudio; Temussi, Pierandrea

    2016-05-01

    L-Aspartyl-L-phenylalanine methyl ester, better known as aspartame, is not only one of the most used artificial sweeteners, but also a very interesting molecule with respect to the correlation between molecular structure and taste. The extreme conformational flexibility of this dipeptide posed a huge difficulty when researchers tried to use it as a lead compound to design new sweeteners. In particular, it was difficult to take advantage of its molecular model as a mold to infer the shape of the, then unknown, active site of the sweet taste receptor. Here, we follow the story of the 3D structural aspects of aspartame from early conformational studies to recent docking into homology models of the receptor. © 2016 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 376-384, 2016. PMID:27038223

  2. Multiscale conformal pattern transfer.

    PubMed

    Lodewijks, Kristof; Miljkovic, Vladimir; Massiot, Inès; Mekonnen, Addis; Verre, Ruggero; Olsson, Eva; Dmitriev, Alexandre

    2016-01-01

    We demonstrate a method for seamless transfer from a parent flat substrate of basically any lithographic top-down or bottom-up pattern onto essentially any kind of surface. The nano- or microscale patterns, spanning macroscopic surface areas, can be transferred with high conformity onto a large variety of surfaces when such patterns are produced on a thin carbon film, grown on top of a sacrificial layer. The latter allows lifting the patterns from the flat parent substrate onto a water-air interface to be picked up by the host surface of choice. We illustrate the power of this technique by functionalizing broad range of materials including glass, plastics, metals, rough semiconductors and polymers, highlighting the potential applications in in situ colorimetry of the chemistry of materials, anti-counterfeit technologies, biomolecular and biomedical studies, light-matter interactions at the nanoscale, conformal photovoltaics and flexible electronics. PMID:27329824

  3. Multiscale conformal pattern transfer

    PubMed Central

    Lodewijks, Kristof; Miljkovic, Vladimir; Massiot, Inès; Mekonnen, Addis; Verre, Ruggero; Olsson, Eva; Dmitriev, Alexandre

    2016-01-01

    We demonstrate a method for seamless transfer from a parent flat substrate of basically any lithographic top-down or bottom-up pattern onto essentially any kind of surface. The nano- or microscale patterns, spanning macroscopic surface areas, can be transferred with high conformity onto a large variety of surfaces when such patterns are produced on a thin carbon film, grown on top of a sacrificial layer. The latter allows lifting the patterns from the flat parent substrate onto a water-air interface to be picked up by the host surface of choice. We illustrate the power of this technique by functionalizing broad range of materials including glass, plastics, metals, rough semiconductors and polymers, highlighting the potential applications in in situ colorimetry of the chemistry of materials, anti-counterfeit technologies, biomolecular and biomedical studies, light-matter interactions at the nanoscale, conformal photovoltaics and flexible electronics. PMID:27329824

  4. Multiscale conformal pattern transfer

    NASA Astrophysics Data System (ADS)

    Lodewijks, Kristof; Miljkovic, Vladimir; Massiot, Inès; Mekonnen, Addis; Verre, Ruggero; Olsson, Eva; Dmitriev, Alexandre

    2016-06-01

    We demonstrate a method for seamless transfer from a parent flat substrate of basically any lithographic top-down or bottom-up pattern onto essentially any kind of surface. The nano- or microscale patterns, spanning macroscopic surface areas, can be transferred with high conformity onto a large variety of surfaces when such patterns are produced on a thin carbon film, grown on top of a sacrificial layer. The latter allows lifting the patterns from the flat parent substrate onto a water-air interface to be picked up by the host surface of choice. We illustrate the power of this technique by functionalizing broad range of materials including glass, plastics, metals, rough semiconductors and polymers, highlighting the potential applications in in situ colorimetry of the chemistry of materials, anti-counterfeit technologies, biomolecular and biomedical studies, light-matter interactions at the nanoscale, conformal photovoltaics and flexible electronics.

  5. Conformational flexibility of aspartame.

    PubMed

    Toniolo, Claudio; Temussi, Pierandrea

    2016-05-01

    L-Aspartyl-L-phenylalanine methyl ester, better known as aspartame, is not only one of the most used artificial sweeteners, but also a very interesting molecule with respect to the correlation between molecular structure and taste. The extreme conformational flexibility of this dipeptide posed a huge difficulty when researchers tried to use it as a lead compound to design new sweeteners. In particular, it was difficult to take advantage of its molecular model as a mold to infer the shape of the, then unknown, active site of the sweet taste receptor. Here, we follow the story of the 3D structural aspects of aspartame from early conformational studies to recent docking into homology models of the receptor. © 2016 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 376-384, 2016.

  6. Protein local conformations arise from a mixture of Gaussian distributions.

    PubMed

    Tendulkar, Ashish V; Ogunnaike, Babatunde; Wangikar, Pramod P

    2007-08-01

    The classical approaches for protein structure prediction rely either on homology of the protein sequence with a template structure or on ab initio calculations for energy minimization. These methods suffer from disadvantages such as the lack of availability of homologous template structures or intractably large conformational search space, respectively. The recently proposed fragment library based approaches first predict the local structures,which can be used in conjunction with the classical approaches of protein structure prediction. The accuracy of the predictions is dependent on the quality of the fragment library. In this work, we have constructed a library of local conformation classes purely based on geometric similarity. The local conformations are represented using Geometric Invariants, properties that remain unchanged under transformations such as translation and rotation, followed by dimension reduction via principal component analysis. The local conformations are then modeled as a mixture of Gaussian probability distribution functions (PDF). Each one of the Gaussian PDF's corresponds to a conformational class with the centroid representing the average structure of that class. We find 46 classes when we use an octapeptide as a unit of local conformation. The protein 3-D structure can now be described as a sequence of local conformational classes. Further, it was of interest to see whether the local conformations can be predicted from the amino acid sequences. To that end,we have analyzed the correlation between sequence features and the conformational classes. PMID:17914232

  7. Conformal scalar field wormholes

    NASA Technical Reports Server (NTRS)

    Halliwell, Jonathan J.; Laflamme, Raymond

    1989-01-01

    The Euclidian Einstein equations with a cosmological constant and a conformally coupled scalar field are solved, taking the metric to be of the Robertson-Walker type. In the case Lambda = 0, solutions are found which represent a wormhole connecting two asymptotically flat Euclidian regions. In the case Lambda greater than 0, the solutions represent tunneling from a small Tolman-like universe to a large Robertson-Walker universe.

  8. The conformal bootstrap

    NASA Astrophysics Data System (ADS)

    Poland, David; Simmons-Duffin, David

    2016-06-01

    The conformal bootstrap was proposed in the 1970s as a strategy for calculating the properties of second-order phase transitions. After spectacular success elucidating two-dimensional systems, little progress was made on systems in higher dimensions until a recent renaissance beginning in 2008. We report on some of the main results and ideas from this renaissance, focusing on new determinations of critical exponents and correlation functions in the three-dimensional Ising and O(N) models.

  9. Assessing the Impact of Backbone Length and Capping Agent on the Conformational Preferences of a Model Peptide: Conformation Specific IR and UV Spectroscopy of 2-AMINOISOBUTYRIC Acid

    NASA Astrophysics Data System (ADS)

    Gord, Joseph R.; Hewett, Daniel M.; Kubasik, Matthew A.; Zwier, Timothy S.

    2015-06-01

    2-Aminoisobutyric acid (Aib) is an achiral, α-amino acid having two equivalent methyl groups attached to C_α. Extended Aib oligomers are known to have a strong preference for the adoption of a 310-helical structure in the condensed phase. Here, we have taken a simplifying step and focused on the intrinsic folding propensities of Aib by looking at a series of capped Aib oligomers in the gas phase, free from the influence of solvent molecules and cooled in a supersonic expansion. Resonant two-photon ionization and IR-UV holeburning have been used to record single-conformation UV spectra using the Z-cap as the UV chromophore. Resonant ion-dip infrared (RIDIR) spectroscopy provides single-conformation IR spectra in the OH stretch and NH stretch regions. Data have been collected on a set of Z-(Aib)n-X oligomers with n = 1, 2, 4, 6 and X = -OH and -OMethyl. The impacts of these capping groups and differences in backbone length have been found to dramatically influence the conformational space accessed by the molecules studied here. Oligomers of n=4 have sufficient backbone length for a full turn of the 310-helix to be formed. Early interpretation of the data collected shows clear spectroscopic markers signaling the onset of 310-helix formation as well as evidence of structures incorporating C7 and C14 hydrogen bonded rings. Toniolo, C.; Bonora, G. M.; Barone, V.; Bavoso, A.; Benedetti, E.; Di Blasio, B.; Grimaldi, P.; Lelj, F.; Pavone, V.; Pedone, C., Conformation of Pleionomers of α-Aminoisobutyric Acid. Macromolecules 1985, 18, 895-902.

  10. Conformations of organophosphine oxides

    SciTech Connect

    De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.

    2015-07-17

    The conformations of a series of organophosphine oxides, OP(CH3)2R, where R = methyl, ethyl, isopropyl, tert-butyl, vinyl, and phenyl, are predicted using the MP2/cc-pVTZ level of theory. Comparison of potential energy surfaces for rotation about P–C bonds with crystal structure data reveals a strong correlation between predicted location and energetics of minima and histograms of dihedral angle distributions observed in the solid state. In addition, the most stable conformers are those that minimize the extent of steric repulsion between adjacent rotor substituents, and the torsional barriers tend to increase with the steric bulk of the rotating alkyl group. MM3 force field parameters were adjusted to fit the MP2 results, providing a fast and accurate model for predicting organophosphine oxides shapes—an essential part of understanding the chemistry of these compounds. As a result, the predictive power of the modified MM3 model was tested against MP2/cc-pVTZ conformations for triethylphosphine oxide, OP(CH2CH3)3, and triphenylphosphine oxide, OP(Ph)3.

  11. Conformational stability of apoflavodoxin.

    PubMed Central

    Genzor, C. G.; Beldarraín, A.; Gómez-Moreno, C.; López-Lacomba, J. L.; Cortijo, M.; Sancho, J.

    1996-01-01

    Flavodoxins are alpha/beta proteins that mediate electron transfer reactions. The conformational stability of apoflavodoxin from Anaboena PCC 7119 has been studied by calorimetry and urea denaturation as a function of pH and ionic strength. At pH > 12, the protein is unfolded. Between pH 11 and pH 6, the apoprotein is folded properly as judged from near-ultraviolet (UV) circular dichroism (CD) and high-field 1H NMR spectra. In this pH interval, apoflavodoxin is a monomer and its unfolding by urea or temperature follows a simple two-state mechanism. The specific heat capacity of unfolding for this native conformation is unusually low. Near its isoelectric point (3.9), the protein is highly insoluble. At lower pH values (pH 3.5-2.0), apoflavodoxin adopts a conformation with the properties of a molten globule. Although apoflavodoxin at pH 2 unfolds cooperatively with urea in a reversible fashion and the fluorescence and far-UV CD unfolding curves coincide, the transition midpoint depends on the concentration of protein, ruling out a simple two-state process at acidic pH. Apoflavodoxin constitutes a promising system for the analysis of the stability and folding of alpha/beta proteins and for the study of the interaction between apoflavoproteins and their corresponding redox cofactors. PMID:8819170

  12. Conformations of organophosphine oxides

    DOE PAGES

    De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.

    2015-07-17

    The conformations of a series of organophosphine oxides, OP(CH3)2R, where R = methyl, ethyl, isopropyl, tert-butyl, vinyl, and phenyl, are predicted using the MP2/cc-pVTZ level of theory. Comparison of potential energy surfaces for rotation about P–C bonds with crystal structure data reveals a strong correlation between predicted location and energetics of minima and histograms of dihedral angle distributions observed in the solid state. In addition, the most stable conformers are those that minimize the extent of steric repulsion between adjacent rotor substituents, and the torsional barriers tend to increase with the steric bulk of the rotating alkyl group. MM3 forcemore » field parameters were adjusted to fit the MP2 results, providing a fast and accurate model for predicting organophosphine oxides shapes—an essential part of understanding the chemistry of these compounds. As a result, the predictive power of the modified MM3 model was tested against MP2/cc-pVTZ conformations for triethylphosphine oxide, OP(CH2CH3)3, and triphenylphosphine oxide, OP(Ph)3.« less

  13. Microscopic insights into the NMR relaxation-based protein conformational entropy meter.

    PubMed

    Kasinath, Vignesh; Sharp, Kim A; Wand, A Joshua

    2013-10-01

    Conformational entropy is a potentially important thermodynamic parameter contributing to protein function. Quantitative measures of conformational entropy are necessary for an understanding of its role but have been difficult to obtain. An empirical method that utilizes changes in conformational dynamics as a proxy for changes in conformational entropy has recently been introduced. Here we probe the microscopic origins of the link between conformational dynamics and conformational entropy using molecular dynamics simulations. Simulation of seven proteins gave an excellent correlation with measures of side-chain motion derived from NMR relaxation. The simulations show that the motion of methyl-bearing side chains are sufficiently coupled to that of other side chains to serve as excellent reporters of the overall side-chain conformational entropy. These results tend to validate the use of experimentally accessible measures of methyl motion--the NMR-derived generalized order parameters--as a proxy from which to derive changes in protein conformational entropy.

  14. Conformational selection in trypsin-like proteases

    PubMed Central

    Pozzi, Nicola; Vogt, Austin D.; Gohara, David W.; Di Cera, Enrico

    2012-01-01

    For over four decades, two competing mechanisms of ligand recognition – conformational selection and induced-fit - have dominated our interpretation of protein allostery. Defining the mechanism broadens our understanding of the system and impacts our ability to design effective drugs and new therapeutics. Recent kinetics studies demonstrate that trypsin-like proteases exist in equilibrium between two forms: one fully accessible to substrate (E) and the other with the active site occluded (E*). Analysis of the structural database confirms existence of the E* and E forms and vouches for the allosteric nature of the trypsin fold. Allostery in terms of conformational selection establishes an important paradigm in the protease field and enables protein engineers to expand the repertoire of proteases as therapeutics. PMID:22664096

  15. 18 CFR 1307.6 - Accessibility.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... of interested persons or organizations representing handicapped persons; (ii) Be available for public... conformance with Sections 3-8 of the Uniform Federal Accessibility Standards (UFAS) (41 CFR Subpart 101-19.6..., will not require accessibility to the public or beneficiaries or result in the employment or...

  16. 18 CFR 1307.6 - Accessibility.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... of interested persons or organizations representing handicapped persons; (ii) Be available for public... conformance with Sections 3-8 of the Uniform Federal Accessibility Standards (UFAS) (41 CFR subpart 101-19.6..., will not require accessibility to the public or beneficiaries or result in the employment or...

  17. 18 CFR 1307.6 - Accessibility.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... of interested persons or organizations representing handicapped persons; (ii) Be available for public... conformance with Sections 3-8 of the Uniform Federal Accessibility Standards (UFAS) (41 CFR Subpart 101-19.6..., will not require accessibility to the public or beneficiaries or result in the employment or...

  18. 18 CFR 1307.6 - Accessibility.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... of interested persons or organizations representing handicapped persons; (ii) Be available for public... conformance with Sections 3-8 of the Uniform Federal Accessibility Standards (UFAS) (41 CFR Subpart 101-19.6..., will not require accessibility to the public or beneficiaries or result in the employment or...

  19. Paving the Way for Small Satellite Access to Orbit: Cyclops' Deployment of SpinSat, the Largest Satellite Ever Deployed from the International Space Station

    NASA Technical Reports Server (NTRS)

    Hershey, Matthew P.; Newswander, Daniel R.; Smith, James P.; Lamb, Craig R.; Ballard, Perry G.

    2015-01-01

    The Space Station Integrated Kinetic Launcher for Orbital Payload Systems (SSIKLOPS), known as "Cyclops" to the International Space Station (ISS) community, successfully deployed the largest satellite ever (SpinSat) from the ISS on November 28, 2014. Cyclops, a collaboration between the NASA ISS Program, NASA Johnson Space Center Engineering, and Department of Defense Space Test Program (DoD STP) communities, is a dedicated 10-100 kg class ISS small satellite deployment system. This paper will showcase the successful deployment of SpinSat from the ISS. It will also outline the concept of operations, interfaces, requirements, and processes for satellites to utilize the Cyclops satellite deployment system.

  20. Conformation and hydration of aspartame.

    PubMed

    Kang, Y K

    1991-07-01

    Conformational free energy calculations using an empirical potential (ECEPP/2) and the hydration shell model were carried out on the neutral, acidic, zwitterionic, and basic forms of aspartame in the hydrated state. The results indicate that as the molecule becomes more charged, the number of low energy conformations becomes smaller and the molecule becomes less flexible. The calculated free energies of hydration of charged aspartames show that hydration has a significant effect on the conformation in solution. Only two feasible conformations were found for the zwitterionic form, and these are consistent with the conformations deduced from NMR and X-ray diffraction experiments. The calculated free energy difference between these two conformations was 1.25 kcal/mol. The less favored of the two solvated conformations can be expected to be stabilized by hydrophobic interaction of the phenyl groups in the crystal.

  1. 14 CFR 314.3 - Conformity with subpart A of part 302.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Conformity with subpart A of part 302. 314.3 Section 314.3 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) PROCEDURAL REGULATIONS EMPLOYEE PROTECTION PROGRAM General § 314.3 Conformity...

  2. 14 CFR 325.14 - Conformity with subpart A of part 302.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Conformity with subpart A of part 302. 325.14 Section 325.14 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) PROCEDURAL REGULATIONS ESSENTIAL AIR SERVICE PROCEDURES § 325.14 Conformity...

  3. Simulating Massive Conformation Changes within Polypeptide Systems

    NASA Astrophysics Data System (ADS)

    Singh, Jaspinder Paul

    In this dissertation I employ all-atom structure based models with stable energy basins to several existing and novel polypeptide systems (postulated conformation changes of the mammalian prion protein and structurally dual proteins). The common themes are finding unfolding and refolding pathways between highly dissimilar protein structures as a means of understanding exactly how and why a protein may misfold. The modeling is based on the energy funnel landscape theory of protein conformation space. The principle of minimal frustration is considered as the model includes parameters which vary the roughness of the landscape and give rise to off-pathway misfoldings. The dual basin model is applied to the C-terminal (residues 166-226) of the mammalian prion protein. One basin represents the known alpha-helical (aH) structure while the other represents the same residues in a lefthanded beta-helical (LHBH) conformation. The LHBH structure has been proposed to help describe one class of in vitro grown fibrils, as well as possibly self-templating the conversion of normal cellular prion protein to the infectious form. Yet, it is unclear how the protein may make this global rearrangement. Our results demonstrate that the conformation changes are not strongly limited by large-scale geometry modification and that there may exist an overall preference for the LHBH conformation. Furthermore, our model presents novel intermediate trapping conformations with twisted LHBH structure. Polypeptides that display structural duality have primary structures that can give rise to different potential native conformations. We apply the structure-based all-atom model to a leucine zipper protein template with a stable aH structure that has been shown in experiment to switch to a β hairpin structure when exposed to a low-pH environment. We show that the model can be used to perform large-scale temperature-dependent conformational switching by simulating this switching behavior. We augmented

  4. Leaf growth is conformal

    NASA Astrophysics Data System (ADS)

    Alim, Karen; Armon, Shahaf; Shraiman, Boris I.; Boudaoud, Arezki

    2016-10-01

    Growth pattern dynamics lie at the heart of morphogenesis. Here, we investigate the growth of plant leaves. We compute the conformal transformation that maps the contour of a leaf at a given stage onto the contour of the same leaf at a later stage. Based on the mapping we predict the local displacement field in the leaf blade and find it to agree with the experimentally measured displacement field to 92%. This approach is applicable to any two-dimensional system with locally isotropic growth, enabling the deduction of the whole growth field just from observation of the tissue contour.

  5. Leaf growth is conformal.

    PubMed

    Alim, Karen; Armon, Shahaf; Shraiman, Boris I; Boudaoud, Arezki

    2016-01-01

    Growth pattern dynamics lie at the heart of morphogenesis. Here, we investigate the growth of plant leaves. We compute the conformal transformation that maps the contour of a leaf at a given stage onto the contour of the same leaf at a later stage. Based on the mapping we predict the local displacement field in the leaf blade and find it to agree with the experimentally measured displacement field to 92%. This approach is applicable to any two-dimensional system with locally isotropic growth, enabling the deduction of the whole growth field just from observation of the tissue contour. PMID:27597439

  6. OSI Conformance Testing for Bibliographic Applications.

    ERIC Educational Resources Information Center

    Arbez, Gilbert; Swain, Leigh

    1990-01-01

    Describes the development of Open Systems Interconnection (OSI) conformance testing sites, conformance testing tools, and conformance testing services. Discusses related topics such as interoperability testing, arbitration testing, and international harmonization of conformance testing. A glossary is included. (24 references) (SD)

  7. On conformal variational problems and free boundary continua

    NASA Astrophysics Data System (ADS)

    Marsland, Stephen; McLachlan, Robert I.; Modin, Klas; Perlmutter, Matthew

    2014-04-01

    We develop a framework for deriving governing partial differential equations for variational problems on spaces of conformal mappings. The main motivation is to obtain differential equations for the conformal motion of free boundary continua, of interest in image and shape registration. A fundamental tool in the paper, the Hodge-Morrey-Friedrichs decompositions of differential forms on manifolds with boundaries, is used to identify the orthogonal complement of the subspace of conformal mappings. A detailed presentation of these decompositions is included in the paper.

  8. Targeting Inactive Enzyme Conformation

    PubMed Central

    Liu, Sijiu; Zeng, Li-Fan; Wu, Li; Yu, Xiao; Xue, Ting; Gunawan, Andrea M.; Ya-Qiu, Long; Zhang, Zhong-Yin

    2009-01-01

    There has been considerable interest in protein tyrosine phosphatase 1B (PTP1B) as a therapeutic target for diabetes, obesity, as well as cancer. Identifying inhibitory compounds with good bioavailability is a major challenge of drug discovery programs targeted toward PTPs. Most current PTP active site-directed pharmacophores are negatively charged pTyr mimetics which cannot readily enter the cell. This lack of cell permeability limits the utility of such compounds in signaling studies and further therapeutic development. We identify aryl diketoacids as novel pTyr surrogates and show that neutral amide-linked aryl diketoacid dimers also exhibit excellent PTP inhibitory activity. Kinetic studies establish that these aryl diketoacid derivatives act as noncompetitive inhibitors of PTP1B. Crystal structures of ligand-bound PTP1B reveal that both the aryl diketoacid and its dimeric derivative bind PTP1B at the active site, albeit with distinct modes of interaction, in the catalytically inactive, WPD loop open conformation. Furthermore, dimeric aryl diketoacids are cell permeable and enhance insulin signaling in hepatoma cells, suggesting that targeting the inactive conformation may provide a unique opportunity for creating active site-directed PTP1B inhibitors with improved pharmacological properties. PMID:19012396

  9. Conformally symmetric traversable wormholes

    SciTech Connect

    Boehmer, Christian G.; Harko, Tiberiu; Lobo, Francisco S. N.

    2007-10-15

    Exact solutions of traversable wormholes are found under the assumption of spherical symmetry and the existence of a nonstatic conformal symmetry, which presents a more systematic approach in searching for exact wormhole solutions. In this work, a wide variety of solutions are deduced by considering choices for the form function, a specific linear equation of state relating the energy density and the pressure anisotropy, and various phantom wormhole geometries are explored. A large class of solutions impose that the spatial distribution of the exotic matter is restricted to the throat neighborhood, with a cutoff of the stress-energy tensor at a finite junction interface, although asymptotically flat exact solutions are also found. Using the 'volume integral quantifier', it is found that the conformally symmetric phantom wormhole geometries may, in principle, be constructed by infinitesimally small amounts of averaged null energy condition violating matter. Considering the tidal acceleration traversability conditions for the phantom wormhole geometry, specific wormhole dimensions and the traversal velocity are also deduced.

  10. Spherically symmetric conformal gravity and ''gravitational bubbles''

    SciTech Connect

    Berezin, V.A.; Dokuchaev, V.I.; Eroshenko, Yu.N. E-mail: dokuchaev@inr.ac.ru

    2016-01-01

    The general structure of the spherically symmetric solutions in the Weyl conformal gravity is described. The corresponding Bach equations are derived for the special type of metrics, which can be considered as the representative of the general class. The complete set of the pure vacuum solutions is found. It consists of two classes. The first one contains the solutions with constant two-dimensional curvature scalar of our specific metrics, and the representatives are the famous Robertson-Walker metrics. One of them we called the ''gravitational bubbles'', which is compact and with zero Weyl tensor. Thus, we obtained the pure vacuum curved space-times (without any material sources, including the cosmological constant) what is absolutely impossible in General Relativity. Such a phenomenon makes it easier to create the universe from ''nothing''. The second class consists of the solutions with varying curvature scalar. We found its representative as the one-parameter family. It appears that it can be conformally covered by the thee-parameter Mannheim-Kazanas solution. We also investigated the general structure of the energy-momentum tensor in the spherical conformal gravity and constructed the vectorial equation that reveals clearly some features of non-vacuum solutions. Two of them are explicitly written, namely, the metrics à la Vaidya, and the electrovacuum space-time metrics.

  11. Multi-field conformal cosmological attractors

    SciTech Connect

    Kallosh, Renata; Linde, Andrei E-mail: alinde@stanford.edu

    2013-12-01

    We describe a broad class of multi-field inflationary models with spontaneously broken conformal invariance. It generalizes the recently discovered class of cosmological attractors with a single inflaton field [1]. In the new multi-field theories, just as in the single-field models of [1], the moduli space has a boundary (Kähler cone) in terms of the original homogeneous conformal variables. Upon spontaneous breaking of the conformal invariance and switching to the Einstein frame, this boundary moves to infinity in terms of the canonically normalized inflaton field. This results in the exponential stretching and flattening of scalar potentials in the vicinity of the boundary of the moduli space, which makes even very steep potentials perfectly suitable for the slow-roll inflation. These theories, just like their single-field versions, typically lead to inflationary perturbations with n{sub s} = 1−2/N and r = 12/N{sup 2}, where N is the number of e-foldings.

  12. Correlation functions in conformal invariant stochastic processes

    NASA Astrophysics Data System (ADS)

    Alcaraz, Francisco C.; Rittenberg, Vladimir

    2015-11-01

    We consider the problem of correlation functions in the stationary states of one-dimensional stochastic models having conformal invariance. If one considers the space dependence of the correlators, the novel aspect is that although one considers systems with periodic boundary conditions, the observables are described by boundary operators. From our experience with equilibrium problems one would have expected bulk operators. Boundary operators have correlators having critical exponents being half of those of bulk operators. If one studies the space-time dependence of the two-point function, one has to consider one boundary and one bulk operators. The Raise and Peel model has conformal invariance as can be shown in the spin 1/2 basis of the Hamiltonian which gives the time evolution of the system. This is an XXZ quantum chain with twisted boundary condition and local interactions. This Hamiltonian is integrable and the spectrum is known in the finite-size scaling limit. In the stochastic base in which the process is defined, the Hamiltonian is not local anymore. The mapping into an SOS model, helps to define new local operators. As a byproduct some new properties of the SOS model are conjectured. The predictions of conformal invariance are discussed in the new framework and compared with Monte Carlo simulations.

  13. The pseudo-conformal universe: scale invariance from spontaneous breaking of conformal symmetry

    SciTech Connect

    Hinterbichler, Kurt; Khoury, Justin E-mail: jkhoury@sas.upenn.edu

    2012-04-01

    We present a novel theory of the very early universe which addresses the traditional horizon and flatness problems of big bang cosmology and predicts a scale invariant spectrum of perturbations. Unlike inflation, this scenario requires no exponential accelerated expansion of space-time. Instead, the early universe is described by a conformal field theory minimally coupled to gravity. The conformal fields develop a time-dependent expectation value which breaks the flat space so(4,2) conformal symmetry down to so(4,1), the symmetries of de Sitter, giving perturbations a scale invariant spectrum. The solution is an attractor, at least in the case of a single time-dependent field. Meanwhile, the metric background remains approximately flat but slowly contracts, which makes the universe increasingly flat, homogeneous and isotropic, akin to the smoothing mechanism of ekpyrotic cosmology. Our scenario is very general, requiring only a conformal field theory capable of developing the appropriate time-dependent expectation values, and encompasses existing incarnations of this idea, specifically the U(1) model of Rubakov and the Galileon Genesis scenario. Its essential features depend only on the symmetry breaking pattern and not on the details of the underlying lagrangian. It makes generic observational predictions that make it potentially distinguishable from standard inflation, in particular significant non-gaussianities and the absence of primordial gravitational waves.

  14. Solid state and solution conformations of a helical peptide with a central Gly-Gly segment.

    PubMed

    Karle, I L; Banerjee, A; Bhattacharjya, S; Balaram, P

    1996-04-01

    The influence of amino acids with contrasting conformational tendencies on the stereochemistry of oligopeptides has been investigated using an octapeptide Boc-Leu-Aib-Val-Gly-Gly-Leu-Aib-Val-OMe, which contains two helix-promoting Aib residues and a central helix-destabilizing Gly-Gly segment. Single crystal x-ray diffraction studies reveal that a 3(10)-helix is formed up to the penultimate Aib residue, at which point there is a helix reversal in the backbone, reminiscent of a C-terminal 6-->1 hydrogen bond. The curious feature in the crystal is the solvation of the possible 6-->1 bond by a CH3OH molecule, where the OH is inserted between O(3) and N(8) and participates in hydrogen bonds with both. The cell parameters are as follows: space group P2(1)2(1)2(1), a = 10.649 (4) A, b = 15.694 (5) A, c = 30.181 (8) A, R = 6.7% for 3427 data (magnitude of F0 > 3 sigma F) observed to 0.9 A. Nuclear magnetic resonance studies in CDCl3 using NH group solvent accessibility and nuclear Overhauser effects as probes are consistent with a 3(10)-helical conformation. In contrast, in (CD3)2SO, unfolding of the central segment results in a multiple beta-turn structure, with beta-turn conformations populated at residues 1-2, 3-4, and 6-7. CD studies in methanol-2,2,2-trifluoroethanol (TFE) mixtures also provide evidence for a solvent-dependent structural transition. Helical conformations are populated in TFE, while type II beta-turn structures are favored in methanol.

  15. Chromosome Conformation Capture in Primary Human Cells.

    PubMed

    Cortesi, Alice; Bodega, Beatrice

    2016-01-01

    3D organization of the genome, its structural and regulatory function of cell identity, is acquiring prominent features in epigenetics studies; more efforts have been done to develop techniques that allow studying nuclear structure. Chromosome conformation capture (3C) has been set up in 2002 from Dekker and from that moment great investments were made to develop genomics variants of 3C technology (4C, 5C, Hi-C) providing new tools to investigate the shape of the genome in a more systematic and unbiased manner. 3C method allows scientists to fix dynamic and variable 3D interactions in nuclear space, and consequently to study which sequences interact, how a gene is regulated by different and distant enhancer, or how a set of enhancer could regulate transcriptional units; to follow the conformation that mediates regulation change in development; and to evaluate if this fine epigenetic mechanism is impaired in disease condition. PMID:27659988

  16. Recent Advances in Conformal Gravity

    NASA Astrophysics Data System (ADS)

    O'Brien, James; Chaykov, Spasen

    2016-03-01

    In recent years, significant advances have been made in alternative gravitational theories. Although MOND remains the leading candidate among the alternative models, Conformal Gravity has been studied by Mannheim and O'Brien to solve the rotation curve problem without the need for dark matter. Recently, Mannheim, O'Brien and Chaykov have begun solving other gravitational questions in Conformal Gravity. In this presentation, we highlight the new work of Conformal Gravity's application to random motions of clusters (the original Zwicky problem), gravitational bending of light, gravitational lensing and a very recent survey of dwarf galaxy rotation curves. We will show in each case that Conformal Gravity can provide an accurate explanation and prediction of the data without the need for dark matter. Coupled with the fact that Conformal Gravity is a fully re-normalizable metric theory of gravity, these results help to push Conformal Gravity onto a competitive stage against other alternative models.

  17. SpaceCube Mini

    NASA Technical Reports Server (NTRS)

    Lin, Michael; Petrick, David; Geist, Alessandro; Flatley, Thomas

    2012-01-01

    This version of the SpaceCube will be a full-fledged, onboard space processing system capable of 2500+ MIPS, and featuring a number of plug-andplay gigabit and standard interfaces, all in a condensed 3x3x3 form factor [less than 10 watts and less than 3 lb (approximately equal to 1.4 kg)]. The main processing engine is the Xilinx SIRF radiation- hardened-by-design Virtex-5 FX-130T field-programmable gate array (FPGA). Even as the SpaceCube 2.0 version (currently under test) is being targeted as the platform of choice for a number of the upcoming Earth Science Decadal Survey missions, GSFC has been contacted by customers who wish to see a system that incorporates key features of the version 2.0 architecture in an even smaller form factor. In order to fulfill that need, the SpaceCube Mini is being designed, and will be a very compact and low-power system. A similar flight system with this combination of small size, low power, low cost, adaptability, and extremely high processing power does not otherwise exist, and the SpaceCube Mini will be of tremendous benefit to GSFC and its partners. The SpaceCube Mini will utilize space-grade components. The primary processing engine of the Mini is the Xilinx Virtex-5 SIRF FX-130T radiation-hardened-by-design FPGA for critical flight applications in high-radiation environments. The Mini can also be equipped with a commercial Xilinx Virtex-5 FPGA with integrated PowerPCs for a low-cost, high-power computing platform for use in the relatively radiation- benign LEOs (low-Earth orbits). In either case, this version of the Space-Cube will weigh less than 3 pounds (.1.4 kg), conform to the CubeSat form-factor (10x10x10 cm), and will be low power (less than 10 watts for typical applications). The SpaceCube Mini will have a radiation-hardened Aeroflex FPGA for configuring and scrubbing the Xilinx FPGA by utilizing the onboard FLASH memory to store the configuration files. The FLASH memory will also be used for storing algorithm and

  18. Web Accessibility and Accessibility Instruction

    ERIC Educational Resources Information Center

    Green, Ravonne A.; Huprich, Julia

    2009-01-01

    Section 508 of the Americans with Disabilities Act (ADA) mandates that programs and services be accessible to people with disabilities. While schools of library and information science (SLIS*) and university libraries should model accessible Web sites, this may not be the case. This article examines previous studies about the Web accessibility of…

  19. Fermion-scalar conformal blocks

    DOE PAGES

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-04-13

    In this study, we compute the conformal blocks associated with scalar-scalar-fermionfermion 4-point functions in 3D CFTs. Together with the known scalar conformal blocks, our result completes the task of determining the so-called ‘seed blocks’ in three dimensions. In addition, conformal blocks associated with 4-point functions of operators with arbitrary spins can now be determined from these seed blocks by using known differential operators.

  20. Killing and conformal Killing tensors

    NASA Astrophysics Data System (ADS)

    Heil, Konstantin; Moroianu, Andrei; Semmelmann, Uwe

    2016-08-01

    We introduce an appropriate formalism in order to study conformal Killing (symmetric) tensors on Riemannian manifolds. We reprove in a simple way some known results in the field and obtain several new results, like the classification of conformal Killing 2-tensors on Riemannian products of compact manifolds, Weitzenböck formulas leading to non-existence results, and construct various examples of manifolds with conformal Killing tensors.

  1. Mapping L1 Ligase ribozyme conformational switch

    PubMed Central

    Giambaşu, George M.; Lee, Tai-Sung; Scott, William G.; York, Darrin M.

    2012-01-01

    L1 Ligase (L1L)molecular switch is an in vitro optimized synthetic allosteric ribozyme that catalyzes the regioselective formation of a 5’-to-3’ phosphodiester bond, a reaction for which there is no known naturally occurring RNA catalyst. L1L serves as a proof of principle that RNA can catalyze a critical reaction for prebiotic RNA self-replication according to the RNA World hypothesis. L1L crystal structure captures two distinct conformations that differ by a re-orientation of one of the stems by around 80 Å and are presumed to correspond to the active and inactive state, respectively. It is of great interest to understand the nature of these two states in solution, and the pathway for their interconversion. In this study, we use explicit solvent molecular simulation together with a novel enhanced sampling method that utilizes concepts from network theory to map out the conformational transition between active and inactive states of L1L. We find that the overall switching mechanism can be described as a 3-state/2-step process. The first step involves a large-amplitude swing that re-orients stem C. The second step involves the allosteric activation of the catalytic site through distant contacts with stem C. Using a conformational space network representation of the L1L switch transition, it is shown that the connection between the three states follows different topographical patterns: the stem C swing step passes through a narrow region of the conformational space network, whereas the allosteric activation step covers a much wider region and a more diverse set of pathways through the network. PMID:22771572

  2. Reflections on conformal spectra

    NASA Astrophysics Data System (ADS)

    Kim, Hyungrok; Kravchuk, Petr; Ooguri, Hirosi

    2016-04-01

    We use modular invariance and crossing symmetry of conformal field theory to reveal approximate reflection symmetries in the spectral decompositions of the partition function in two dimensions in the limit of large central charge and of the four-point function in any dimension in the limit of large scaling dimensions Δ0 of external operators. We use these symmetries to motivate universal upper bounds on the spectrum and the operator product expansion coefficients, which we then derive by independent techniques. Some of the bounds for four-point functions are valid for finite Δ0 as well as for large Δ0. We discuss a similar symmetry in a large spacetime dimension limit. Finally, we comment on the analogue of the Cardy formula and sparse light spectrum condition for the four-point function.

  3. Capturing Chromosome Conformation

    NASA Astrophysics Data System (ADS)

    Dekker, Job; Rippe, Karsten; Dekker, Martijn; Kleckner, Nancy

    2002-02-01

    We describe an approach to detect the frequency of interaction between any two genomic loci. Generation of a matrix of interaction frequencies between sites on the same or different chromosomes reveals their relative spatial disposition and provides information about the physical properties of the chromatin fiber. This methodology can be applied to the spatial organization of entire genomes in organisms from bacteria to human. Using the yeast Saccharomyces cerevisiae, we could confirm known qualitative features of chromosome organization within the nucleus and dynamic changes in that organization during meiosis. We also analyzed yeast chromosome III at the G1 stage of the cell cycle. We found that chromatin is highly flexible throughout. Furthermore, functionally distinct AT- and GC-rich domains were found to exhibit different conformations, and a population-average 3D model of chromosome III could be determined. Chromosome III emerges as a contorted ring.

  4. Accessibility Standards, Illustrated.

    ERIC Educational Resources Information Center

    Jones, Michael A.

    The book sets forth Illinois environmental accessibility standards for disabled persons based on observation and interview data. Photographs, drawings, and detailed floor plans are included in sections dealing with human data (including space requirements for maneuvering wheelchairs, color blindness, incontinence, and severe auditory or visual…

  5. Do conformational biases of simple helical junctions influence RNA folding stability and specificity?

    PubMed Central

    Chu, Vincent B.; Lipfert, Jan; Bai, Yu; Pande, Vijay S.; Doniach, Sebastian; Herschlag, Daniel

    2009-01-01

    Structured RNAs must fold into their native structures and discriminate against a large number of alternative ones, an especially difficult task given the limited information content of RNA's nucleotide alphabet. The simplest motifs within structured RNAs are two helices joined by nonhelical junctions. To uncover the fundamental behavior of these motifs and to elucidate the underlying physical forces and challenges faced by structured RNAs, we computationally and experimentally studied a tethered duplex model system composed of two helices joined by flexible single- or double-stranded polyethylene glycol tethers, whose lengths correspond to those typically observed in junctions from structured RNAs. To dissect the thermodynamic properties of these simple motifs, we computationally probed how junction topology, electrostatics, and tertiary contact location influenced folding stability. Small-angle X-ray scattering was used to assess our predictions. Single- or double-stranded junctions, independent of sequence, greatly reduce the space of allowed helical conformations and influencing the preferred location and orientation of their adjoining helices. A double-stranded junction guides the helices along a hinge-like pathway. In contrast, a single-stranded junction samples a broader set of conformations and has different preferences than the double-stranded junction. In turn, these preferences determine the stability and distinct specificities of tertiary structure formation. These sequence-independent effects suggest that properties as simple as a junction's topology can generally define the accessible conformational space, thereby stabilizing desired structures and assisting in discriminating against misfolded structures. Thus, junction topology provides a fundamental strategy for transcending the limitations imposed by the low information content of RNA primary sequence. PMID:19850914

  6. Replacement between conformity and counter-conformity in consumption decisions.

    PubMed

    Chou, Ting-Jui; Chang, En-Chung; Dai, Qi; Wong, Veronica

    2013-02-01

    This study assessed, in a Chinese context, how self-esteem interacts with perceived similarity and uniqueness to yield cognitive dissonance, and whether the dissonance leads to self-reported conformity or counter-conformity behavior. Participants were 408 respondents from 4 major Chinese cities (M age = 33.0 yr., SD = 4.3; 48% men). Self-perceptions of uniqueness, similarity, cognitive dissonance, self-esteem and need to behave in conformity or counter-conformity were measured. A theoretical model was assessed in four situations, relating the ratings of self-esteem and perceived similarity/uniqueness to the way other people at a wedding were dressed, and the resultant cognitive dissonance and conformity/ counter-conformity behavior. Regardless of high or low self-esteem, all participants reported cognitive dissonance when they were told that they were dressed extremely similarly to or extremely differently from the other people attending the wedding. However, the conforming/counter-conforming strategies used by participants to resolve the cognitive dissonance differed. When encountering dissonance induced by the perceived extreme uniqueness of dress, participants with low self-esteem tended to say they would dress next time so as to conform with the way others were dressed, while those with high self-esteem indicated they would continue their counter-conformity in attire. When encountering dissonance induced by the perceived extreme similarity to others, both those with high and low self-esteem tended to say they would dress in an unorthodox manner to surprise other people in the future. PMID:23654033

  7. Replacement between conformity and counter-conformity in consumption decisions.

    PubMed

    Chou, Ting-Jui; Chang, En-Chung; Dai, Qi; Wong, Veronica

    2013-02-01

    This study assessed, in a Chinese context, how self-esteem interacts with perceived similarity and uniqueness to yield cognitive dissonance, and whether the dissonance leads to self-reported conformity or counter-conformity behavior. Participants were 408 respondents from 4 major Chinese cities (M age = 33.0 yr., SD = 4.3; 48% men). Self-perceptions of uniqueness, similarity, cognitive dissonance, self-esteem and need to behave in conformity or counter-conformity were measured. A theoretical model was assessed in four situations, relating the ratings of self-esteem and perceived similarity/uniqueness to the way other people at a wedding were dressed, and the resultant cognitive dissonance and conformity/ counter-conformity behavior. Regardless of high or low self-esteem, all participants reported cognitive dissonance when they were told that they were dressed extremely similarly to or extremely differently from the other people attending the wedding. However, the conforming/counter-conforming strategies used by participants to resolve the cognitive dissonance differed. When encountering dissonance induced by the perceived extreme uniqueness of dress, participants with low self-esteem tended to say they would dress next time so as to conform with the way others were dressed, while those with high self-esteem indicated they would continue their counter-conformity in attire. When encountering dissonance induced by the perceived extreme similarity to others, both those with high and low self-esteem tended to say they would dress in an unorthodox manner to surprise other people in the future.

  8. Conformational Entropy of Intrinsically Disordered Proteins from Amino Acid Triads

    PubMed Central

    Baruah, Anupaul; Rani, Pooja; Biswas, Parbati

    2015-01-01

    This work quantitatively characterizes intrinsic disorder in proteins in terms of sequence composition and backbone conformational entropy. Analysis of the normalized relative composition of the amino acid triads highlights a distinct boundary between globular and disordered proteins. The conformational entropy is calculated from the dihedral angles of the middle amino acid in the amino acid triad for the conformational ensemble of the globular, partially and completely disordered proteins relative to the non-redundant database. Both Monte Carlo (MC) and Molecular Dynamics (MD) simulations are used to characterize the conformational ensemble of the representative proteins of each group. The results show that the globular proteins span approximately half of the allowed conformational states in the Ramachandran space, while the amino acid triads in disordered proteins sample the entire range of the allowed dihedral angle space following Flory’s isolated-pair hypothesis. Therefore, only the sequence information in terms of the relative amino acid triad composition may be sufficient to predict protein disorder and the backbone conformational entropy, even in the absence of well-defined structure. The predicted entropies are found to agree with those calculated using mutual information expansion and the histogram method. PMID:26138206

  9. Conformational Entropy of Intrinsically Disordered Proteins from Amino Acid Triads.

    PubMed

    Baruah, Anupaul; Rani, Pooja; Biswas, Parbati

    2015-07-03

    This work quantitatively characterizes intrinsic disorder in proteins in terms of sequence composition and backbone conformational entropy. Analysis of the normalized relative composition of the amino acid triads highlights a distinct boundary between globular and disordered proteins. The conformational entropy is calculated from the dihedral angles of the middle amino acid in the amino acid triad for the conformational ensemble of the globular, partially and completely disordered proteins relative to the non-redundant database. Both Monte Carlo (MC) and Molecular Dynamics (MD) simulations are used to characterize the conformational ensemble of the representative proteins of each group. The results show that the globular proteins span approximately half of the allowed conformational states in the Ramachandran space, while the amino acid triads in disordered proteins sample the entire range of the allowed dihedral angle space following Flory's isolated-pair hypothesis. Therefore, only the sequence information in terms of the relative amino acid triad composition may be sufficient to predict protein disorder and the backbone conformational entropy, even in the absence of well-defined structure. The predicted entropies are found to agree with those calculated using mutual information expansion and the histogram method.

  10. Is Your Church Accessible? Houses of Worship: Physical Accessibility Checklist.

    ERIC Educational Resources Information Center

    Ensign, Arselia, Ed.

    1991-01-01

    This checklist is intended to help churches evaluate the accessibility of their facilities to those with physical disabilities. Categories covered are: basic accessibility, parking lots, walks, ramps, entrances/exits, doors and doorways, stairs and steps, floors, worship space, rest rooms, controls, water fountains, identification, warning…

  11. Counselor Identity: Conformity or Distinction?

    ERIC Educational Resources Information Center

    McLaughlin, Jerry E.; Boettcher, Kathryn

    2009-01-01

    The authors explore 3 debates in other disciplines similar to counseling's identity debate in order to learn about common themes and outcomes. Conformity, distinction, and cohesion emerged as common themes. They conclude that counselors should retain their distinctive, humanistic approach rather than conforming to the dominant, medical approach.

  12. [Conformal radiotherapy: principles and classification].

    PubMed

    Rosenwald, J C; Gaboriaud, G; Pontvert, D

    1999-01-01

    'Conformal radiotherapy' is the name fixed by usage and given to a new form of radiotherapy resulting from the technological improvements observed during, the last ten years. While this terminology is now widely used, no precise definition can be found in the literature. Conformal radiotherapy refers to an approach in which the dose distribution is more closely 'conformed' or adapted to the actual shape of the target volume. However, the achievement of a consensus on a more specific definition is hampered by various difficulties, namely in characterizing the degree of 'conformality'. We have therefore suggested a classification scheme be established on the basis of the tools and the procedures actually used for all steps of the process, i.e., from prescription to treatment completion. Our classification consists of four levels: schematically, at level 0, there is no conformation (rectangular fields); at level 1, a simple conformation takes place, on the basis of conventional 2D imaging; at level 2, a 3D reconstruction of the structures is used for a more accurate conformation; and level 3 includes research and advanced dynamic techniques. We have used our personal experience, contacts with colleagues and data from the literature to analyze all the steps of the planning process, and to define the tools and procedures relevant to a given level. The corresponding tables have been discussed and approved at the European level within the Dynarad concerted action. It is proposed that the term 'conformal radiotherapy' be restricted to procedures where all steps are at least at level 2.

  13. Conformational thermodynamics of biomolecular complexes: The histogram-based method

    NASA Astrophysics Data System (ADS)

    Das, Amit; Sikdar, Samapan; Ghosh, Mahua; Chakrabarti, J.

    2015-09-01

    Conformational changes in biomacromolecules govern majority of biological processes. Complete characterization of conformational contributions to thermodynamics of complexation of biomacromolecules has been challenging. Although, advances in NMR relaxation experiments and several computational studies have revealed important aspects of conformational entropy changes, efficient and large-scale estimations still remain an intriguing facet. Recent histogram-based method (HBM) offers a simple yet rigorous route to estimate both conformational entropy and free energy changes from same set of histograms in an efficient manner. The HBM utilizes the power of histograms which can be generated as accurately as desired from an arbitrarily large sample space from atomistic simulation trajectories. Here we discuss some recent applications of the HBM, using dihedral angles of amino acid residues as conformational variables, which provide good measure of conformational thermodynamics of several protein-peptide complexes, obtained from NMR, metal-ion binding to an important metalloprotein, interfacial changes in protein-protein complex and insight to protein function, coupled with conformational changes. We conclude the paper with a few future directions worth pursuing.

  14. Conformational preferences of 3,4-dihydroxyphenylacetic acid (DOPAC)

    NASA Astrophysics Data System (ADS)

    Lopes Jesus, A. J.; Jarmelo, S.; Fausto, R.; Reva, I.

    2015-04-01

    The conformational space of 3,4-dihydroxyphenylacetic acid (DOPAC), an important dopamine metabolite, has been investigated by quantum chemical methods (B3LYP and MP2, with the 6-311++G(d,p) basis set) and matrix-isolation infrared spectroscopy. Detailed analysis of the calculated potential energy surfaces of the molecule led to identification of thirteen unique conformers, all of them showing the acetic acid side chain out of the aromatic ring plane by 60-95°. According to the calculated Gibbs energies, the five lowest energy conformers make up 99.7% of the conformational mixture at 298.15 K, exhibiting individual populations falling between 16% and 24%. The main conformational trends of this molecule were interpreted on the grounds of a thorough analysis of the structural parameters and by the application of the Natural Bond Orbital theory. The role of the intramolecular interactions on the relative stability and structure of the conformers was also investigated. The infrared spectrum of DOPAC was registered after isolation of its monomers in argon and xenon matrices. Only one of DOPAC forms populated in the gas phase could be trapped in both matrix gases. This result is in agreement with the predicted low energy barriers for conformational isomerization and is also supported by annealing experiments. The spectra of matrix-isolated model compounds, phenylacetic acid and catechol, were studied under the same experimental conditions. These data were used as references and assisted in the interpretation of the results obtained for DOPAC.

  15. Conformal properties of the odderon in QCD

    NASA Astrophysics Data System (ADS)

    Gauron, Pierre; Lipatov, Lev; Nicolescu, Basarab

    1991-05-01

    We construct, in the framework of QCD, the conformally invariant functional whose maximal value gives the J-plane location of the leading singularity of the t-channel partial waves in LLA for diagrams with n reggeized gluons. In the case of the odderon the wave function in impact-parameter space depends on only one anharmonic ratio and the corresponding functional is significantly simplified. We discuss in the variational approach the relation between the odderon and the pomeron in QCD. A semiquantitative argument is given that the intercept of the odderon in LLA is probably bigger than 1.

  16. Salt effects on peptide conformers: a dielectric study of tuftsin.

    PubMed Central

    Yang, L; Valdeavella, C V; Blatt, H D; Pettitt, B M

    1996-01-01

    Four 1-ns molecular dynamics computer simulations of tuftsin, Thr-Lys-Pro-Arg, are analyzed: (1) cis tuftsin in water, (2) trans tuftsin in water, (3) cis tuftsin in 1 M NaCl, and (4) trans tuftsin in 1 M NaCl. Independently of the salt concentration, the trans conformer has a higher dielectric constant than the cis conformer because the former exhibits a more widely distributed charge distribution in space. Independently of the peptide conformation, the presence of salt reduces the dielectric constants of both the peptide and the solvating water molecules because ions, on binding, restrict the motion of other atoms. In contrast to the dielectric constants, neither the peptide conformation nor the salt concentration shows a significant influence on the dielectric relaxation time of water molecules. PMID:8968573

  17. In silico Exploration of the Conformational Universe of GPCRs.

    PubMed

    Rodríguez-Espigares, Ismael; Kaczor, Agnieszka A; Selent, Jana

    2016-07-01

    The structural plasticity of G protein coupled receptors (GPCRs) leads to a conformational universe going from inactive to active receptor states with several intermediate states. Many of them have not been captured yet and their role for GPCR activation is not well understood. The study of this conformational space and the transition dynamics between different receptor populations is a major challenge in molecular biophysics. The rational design of effector molecules that target such receptor populations allows fine-tuning receptor signalling with higher specificity to produce drugs with safer therapeutic profiles. In this minireview, we outline highly conserved receptor regions which are considered determinant for the establishment of distinct receptor states. We then discuss in-silico approaches such as dimensionality reduction methods and Markov State Models to explore the GPCR conformational universe and exploit the obtained conformations through structure-based drug design. PMID:27492237

  18. In silico Exploration of the Conformational Universe of GPCRs.

    PubMed

    Rodríguez-Espigares, Ismael; Kaczor, Agnieszka A; Selent, Jana

    2016-07-01

    The structural plasticity of G protein coupled receptors (GPCRs) leads to a conformational universe going from inactive to active receptor states with several intermediate states. Many of them have not been captured yet and their role for GPCR activation is not well understood. The study of this conformational space and the transition dynamics between different receptor populations is a major challenge in molecular biophysics. The rational design of effector molecules that target such receptor populations allows fine-tuning receptor signalling with higher specificity to produce drugs with safer therapeutic profiles. In this minireview, we outline highly conserved receptor regions which are considered determinant for the establishment of distinct receptor states. We then discuss in-silico approaches such as dimensionality reduction methods and Markov State Models to explore the GPCR conformational universe and exploit the obtained conformations through structure-based drug design.

  19. Access Denied

    ERIC Educational Resources Information Center

    Villano, Matt

    2008-01-01

    Building access control (BAC)--a catchall phrase to describe the systems that control access to facilities across campus--has traditionally been handled with remarkably low-tech solutions: (1) manual locks; (2) electronic locks; and (3) ID cards with magnetic strips. Recent improvements have included smart cards and keyless solutions that make use…

  20. Open Access

    ERIC Educational Resources Information Center

    Suber, Peter

    2012-01-01

    The Internet lets us share perfect copies of our work with a worldwide audience at virtually no cost. We take advantage of this revolutionary opportunity when we make our work "open access": digital, online, free of charge, and free of most copyright and licensing restrictions. Open access is made possible by the Internet and copyright-holder…

  1. Conformal Fermi Coordinates

    SciTech Connect

    Dai, Liang; Pajer, Enrico; Schmidt, Fabian E-mail: Enrico.pajer@gmail.com

    2015-11-01

    Fermi Normal Coordinates (FNC) are a useful frame for isolating the locally observable, physical effects of a long-wavelength spacetime perturbation. Their cosmological application, however, is hampered by the fact that they are only valid on scales much smaller than the horizon. We introduce a generalization that we call Conformal Fermi Coordinates (CFC). CFC preserve all the advantages of FNC, but in addition are valid outside the horizon. They allow us to calculate the coupling of long- and short-wavelength modes on all scales larger than the sound horizon of the cosmological fluid, starting from the epoch of inflation until today, by removing the complications of the second order Einstein equations to a large extent, and eliminating all gauge ambiguities. As an application, we present a calculation of the effect of long-wavelength tensor modes on small scale density fluctuations. We recover previous results, but clarify the physical content of the individual contributions in terms of locally measurable effects and ''projection'' terms.

  2. Dynamics of protein conformations

    NASA Astrophysics Data System (ADS)

    Stepanova, Maria

    2010-10-01

    A novel theoretical methodology is introduced to identify dynamic structural domains and analyze local flexibility in proteins. The methodology employs a multiscale approach combining identification of essential collective coordinates based on the covariance analysis of molecular dynamics trajectories, construction of the Mori projection operator with these essential coordinates, and analysis of the corresponding generalized Langevin equations [M.Stepanova, Phys.Rev.E 76(2007)051918]. Because the approach employs a rigorous theory, the outcomes are physically transparent: the dynamic domains are associated with regions of relative rigidity in the protein, whereas off-domain regions are relatively soft. This also allows scoring the flexibility in the macromolecule with atomic-level resolution [N.Blinov, M.Berjanskii, D.S.Wishart, and M.Stepanova, Biochemistry, 48(2009)1488]. The applications include the domain coarse-graining and characterization of conformational stability in protein G and prion proteins. The results are compared with published NMR experiments. Potential applications for structural biology, bioinformatics, and drug design are discussed.

  3. Solidifying Small Satellite Access to Orbit via the International Space Station (ISS): Cyclops' Deployment of the Lonestar SmallSat from the ISS

    NASA Technical Reports Server (NTRS)

    Hershey, Matthew P.; Newswander, Daniel R.; Evernden, Brent A.

    2016-01-01

    On January 29, 2016, the Space Station Integrated Kinetic Launcher for Orbital Payload Systems (SSIKLOPS), known as "Cyclops" to the International Space Station (ISS) community, deployed Lonestar from the ISS. The deployment of Lonestar, a collaboration between Texas A&M University and the University of Texas at Austin, continued to showcase the simplicity and reliability of the Cyclops deployment system. Cyclops, a NASA-developed, dedicated 10-100 kg class ISS SmallSat deployment system, utilizes the Japanese airlock and robotic systems to seamlessly insert SmallSats into orbit. This paper will illustrate Cyclops' successful deployment of Lonestar from the ISS as well as outline its concept of operations, interfaces, requirements, and processes.

  4. HL-20 structural design comparison - Conformal shell versus cylindrical crew compartment

    NASA Technical Reports Server (NTRS)

    Bush, Lance B.; Wahls, Deborah M.; Robinson, James C.

    1993-01-01

    Extensive studies have been performed at NASA Langley Research Center (LaRC) on personnel launch systems (PLS) concepts. The primary mission of a PLS is the transport of Space Station crew members from Earth to the Space Station and return. The NASA LaRC PLS studies have led to the design of a lifting body configuration named the HL-20. In this study, two different HL-20 structural configurations are evaluated. The two configurations are deemed the conformal shell and the cylindrical crew compartment. The configurations are based on two different concerns for maintenance and operations. One configuration allows for access to subsystems while on-orbit from the interior, while the other allows for easy access to the subsystems during ground maintenance and operations. For each concept, the total structural weight required to sustain the applied loads is quantified through a structural evaluation. Structural weight for both configurations is compared along with the particular attributes of each. Analyses of both configurations indicate no appreciable weight or load relief advantage of one concept over the other. Maintainability and operability, therefore become the primary discriminator, leading to a choice of a crew compartment configuration.

  5. Conformal Ablative Thermal Protection System for Planetary and Human Exploration Missions:An Overview of the Technology Maturation Effort

    NASA Technical Reports Server (NTRS)

    Beck, Robin A S.; Arnold, James O.; Gasch, Matthew J.; Stackpoole, Margaret M.; Prabhu, Dinesh K.; Szalai, Christine E.; Wercinski, Paul F.; Venkatapathy, Ethiraj

    2013-01-01

    The Office of Chief Technologist, NASA identified the need for research and technology development in part from NASAs Strategic Goal 3.3 of the NASA Strategic Plan to develop and demonstrate the critical technologies that will make NASAs exploration, science, and discovery missions more affordable and more capable. Furthermore, the Game Changing Development Program is a primary avenue to achieve the Agencys 2011 strategic goal to Create the innovative new space technologies for our exploration, science, and economic future. The National Research Council (NRC) Space Technology Roadmaps and Priorities report highlights six challenges and they are: Mass to Surface, Surface Access, Precision Landing, Surface Hazard Detection and Avoidance, Safety and Mission Assurance, and Affordability. In order for NASA to meet these challenges, the report recommends immediate focus on Rigid and Flexible Thermal Protection Systems. Rigid TPS systems such as Avcoat or SLA are honeycomb based and PICA is in the form of tiles. The honeycomb systems are manufactured using techniques that require filling of each (38 cell) by hand, and in a limited amount of time all of the cells must be filled and the heatshield must be cured. The tile systems such as PICA pose a different challenge as the low strain-to-failure and manufacturing size limitations require large number of small tiles with gap-fillers between the tiles. Recent investments in flexible ablative systems have given rise to the potential for conformal ablative TPS. A conformal TPS over a rigid aeroshell has the potential to solve a number of challenges faced by traditional rigid TPS materials. The high strain-to-failure nature of the conformal ablative materials will allow integration of the TPS with the underlying aeroshell structure much easier and enable monolithic-like configuration and larger segments (or parts) to be used. By reducing the overall part count, the cost of installation (based on cost comparisons between blanket

  6. Conformal invariance, dark energy, and CMB non-gaussianity

    NASA Astrophysics Data System (ADS)

    Antoniadis, Ignatios; Mazur, Pawel O.; Mottola, Emil

    2012-09-01

    In addition to simple scale invariance, a universe dominated by dark energy naturally gives rise to correlation functions possessing full conformal invariance. This is due to the mathematical isomorphism between the conformal group of certain three dimensional slices of de Sitter space and the de Sitter isometry group SO(4,1). In the standard homogeneous, isotropic cosmological model in which primordial density perturbations are generated during a long vacuum energy dominated de Sitter phase, the embedding of flat spatial Bbb R3 sections in de Sitter space induces a conformal invariant perturbation spectrum and definite prediction for the shape of the non-Gaussian CMB bispectrum. In the case in which the density fluctuations are generated instead on the de Sitter horizon, conformal invariance of the Bbb S2 horizon embedding implies a different but also quite definite prediction for the angular correlations of CMB non-Gaussianity on the sky. Each of these forms for the bispectrum is intrinsic to the symmetries of de Sitter space, and in that sense, independent of specific model assumptions. Each is different from the predictions of single field slow roll inflation models, which rely on the breaking of de Sitter invariance. We propose a quantum origin for the CMB fluctuations in the scalar gravitational sector from the conformal anomaly that could give rise to these non-Gaussianities without a slow roll inflaton field, and argue that conformal invariance also leads to the expectation for the relation nS-1 = nT between the spectral indices of the scalar and tensor power spectrum. Confirmation of this prediction or detection of non-Gaussian correlations in the CMB of one of the bispectral shape functions predicted by conformal invariance can be used both to establish the physical origins of primordial density fluctuations, and distinguish between different dynamical models of cosmological vacuum dark energy.

  7. Conformal invariance, dark energy, and CMB non-gaussianity

    SciTech Connect

    Antoniadis, Ignatios; Mazur, Pawel O.; Mottola, Emil E-mail: mazur@physics.sc.edu

    2012-09-01

    In addition to simple scale invariance, a universe dominated by dark energy naturally gives rise to correlation functions possessing full conformal invariance. This is due to the mathematical isomorphism between the conformal group of certain three dimensional slices of de Sitter space and the de Sitter isometry group SO(4,1). In the standard homogeneous, isotropic cosmological model in which primordial density perturbations are generated during a long vacuum energy dominated de Sitter phase, the embedding of flat spatial R{sup 3} sections in de Sitter space induces a conformal invariant perturbation spectrum and definite prediction for the shape of the non-Gaussian CMB bispectrum. In the case in which the density fluctuations are generated instead on the de Sitter horizon, conformal invariance of the S{sup 2} horizon embedding implies a different but also quite definite prediction for the angular correlations of CMB non-Gaussianity on the sky. Each of these forms for the bispectrum is intrinsic to the symmetries of de Sitter space, and in that sense, independent of specific model assumptions. Each is different from the predictions of single field slow roll inflation models, which rely on the breaking of de Sitter invariance. We propose a quantum origin for the CMB fluctuations in the scalar gravitational sector from the conformal anomaly that could give rise to these non-Gaussianities without a slow roll inflaton field, and argue that conformal invariance also leads to the expectation for the relation n{sub S}−1 = n{sub T} between the spectral indices of the scalar and tensor power spectrum. Confirmation of this prediction or detection of non-Gaussian correlations in the CMB of one of the bispectral shape functions predicted by conformal invariance can be used both to establish the physical origins of primordial density fluctuations, and distinguish between different dynamical models of cosmological vacuum dark energy.

  8. [An application of low-invasive access in ultrasound-guided surgery of liquid formation of the abdominal cavity and retroperitoneal space].

    PubMed

    Demin, D B; Laĭkov, A V; Funygin, M S; Chegodaeva, A A; Solodov, Iu Iu; Butina, K V

    2014-01-01

    The article presents a low-invasive method in the intraoperative ultrasound-guided surgery. The method had several steps: an access (2-3 cm) was made to a liquid formation with the following aspiration of contents, a necrotic detritus was removed through the wound tract using simultaneous ultrasound examination of efficacy of emptying the cavity with drainage. This means allowed the performance of single-stage sanitization and drainage of cavity formations, which contained the liquid and dense necrotic tissues in the lumen. The method was effective, technically workable in any surgical hospital. At the same time, it was economically reasonable, because there wasn't need to buy an additional equipment. The application of the means considerably shortened a hospital stay and the lethality was reduced.

  9. CONFORMANCE IMPROVEMENT USING GELS

    SciTech Connect

    Randall S. Seright

    2002-02-28

    This technical progress report describes work performed from June 20 through December 19, 2001, for the project, ''Conformance Improvement Using Gels''. Interest has increased in some new polymeric products that purport to substantially reduce permeability to water while causing minimum permeability reduction to oil. In view of this interest, we are currently studying BJ's Aqua Con. Results from six corefloods revealed that the Aqua Con gelant consistently reduced permeability to water more than that to oil. However, the magnitude of the disproportionate permeability reduction varied significantly for the various experiments. Thus, as with most materials tested to date, the issue of reproducibility and control of the disproportionate permeability remains to be resolved. Concern exists about the ability of gels to resist washout after placement in fractures. We examined whether a width constriction in the middle of a fracture would cause different gel washout behavior upstream versus downstream of the constriction. Tests were performed using a formed Cr(III)-acetate-HPAM gel in a 48-in.-long fracture with three sections of equal length, but with widths of 0.08-, 0.02-, and 0.08-in., respectively. The pressure gradients during gel extrusion (i.e., placement) were similar in the two 0.08-in.-wide fracture sections, even though they were separated by a 0.02-in.-wide fracture section. The constriction associated with the middle fracture section may have inhibited gel washout during the first pulse of brine injection after gel placement. However, during subsequent phases of brine injection, the constriction did not inhibit washout in the upstream fracture section any more than in the downstream section.

  10. Selective access and editing in a database

    NASA Technical Reports Server (NTRS)

    Maluf, David A. (Inventor); Gawdiak, Yuri O. (Inventor)

    2010-01-01

    Method and system for providing selective access to different portions of a database by different subgroups of database users. Where N users are involved, up to 2.sup.N-1 distinguishable access subgroups in a group space can be formed, where no two access subgroups have the same members. Two or more members of a given access subgroup can edit, substantially simultaneously, a document accessible to each member.

  11. A Fast Conformal Mapping Algorithm with No FFT

    NASA Astrophysics Data System (ADS)

    Luchini, P.; Manzo, F.

    1992-08-01

    An algorithm is presented for the computation of a conformal mapping discretized on a non-uniformly spaced point set, useful for the numerical solution of many problems of fluid dynamics. Most existing iterative techniques, both those having a linear and those having a quadratic type of convergence, rely on the fast Fourier transform ( FFT) algorithm for calculating a convolution integral which represents the most time-consuming phase of the computation. The FFT, however, definitely cannot be applied to a non-uniform spacing. The algorithm presented in this paper has been made possible by the construction of a calculation method for convolution integrals which, despite not using an FFT, maintains a computation time of the same order as that of the FFT. The new technique is successfully applied to the problem of conformally mapping a closely spaced cascade of airfoils onto a circle, which requires an exceedingly large number of points if it is solved with uniform spacing.

  12. Conformational Landscape of Nicotinoids: Solving the "conformational - Rity" of Anabasine

    NASA Astrophysics Data System (ADS)

    Lesarri, Alberto; Cocinero, Emilio J.; Evangelisti, Luca; Suenram, Richard D.; Caminati, Walther; Grabow, Jens-Uwe

    2010-06-01

    The conformational landscape of the alkaloid anabasine (neonicotine) has been investigated using rotational spectroscopy and ab initio calculations. The results allow a detailed comparison of the structural properties of the prototype piperidinic and pyrrolidinic nicotinoids (anabasine vs. nicotine). Anabasine adopts two most stable conformations in isolation conditions, for which we determined accurate rotational and nuclear quadrupole coupling parameters. The preferred conformations are characterized by an equatorial pyridine moiety and additional N-H equatorial stereochemistry at the piperidine ring (Eq-Eq). The two rings of anabasine are close to a bisecting arrangement, with the observed conformations differing in a ca. 180° rotation of the pyridine subunit, denoted either Syn or Anti. The preference of anabasine for the Eq-Eq-Syn conformation has been established by relative intensity measurements (Syn/Anti˜5(2)). The conformational preferences of free anabasine are directed by a N\\cdot\\cdot\\cdotH-C weak hydrogen bond interaction between the nitrogen lone pair at piperidine and the closest hydrogen bond in pyridine, with N\\cdot\\cdot\\cdotN distances ranging from 4.750 Å (Syn) to 4.233 Å (Anti). R. J. Lavrich, R. D. Suenram, D. F. Plusquellic and S. Davis, 58^th OSU Int. Symp. on Mol. Spectrosc., Columbus, OH, 2003, Comm. RH13.

  13. Gaining Access.

    ERIC Educational Resources Information Center

    Kennedy, Mike

    2000-01-01

    Discusses issues schools and universities have encountered in complying with the Americans with Disabilities Act (ADA) and making their facilities more accessible to the disabled. The ADA's vagueness and the architect's need for understanding the regulations is highlighted. (GR)

  14. Equal Access.

    ERIC Educational Resources Information Center

    De Patta, Joe

    2003-01-01

    Presents an interview with Stephen McCarthy, co-partner and president of Equal Access ADA Consulting Architects of San Diego, California, about designing schools to naturally integrate compliance with the Americans with Disabilities Act (ADA). (EV)

  15. Capital access.

    PubMed

    Towne, Jennifer

    2004-06-01

    To maintain their viability, hospitals are being compelled to invest in big capital projects such as information technology and renovation and construction. This gatefold examines the trends in credit and capital, and how they affect hospitals' access to money.

  16. Characterization of DNA conformation inside bacterial viruses

    NASA Astrophysics Data System (ADS)

    Petrov, Anton S.; Locker, C. Rebecca; Harvey, Stephen C.

    2009-08-01

    In this study we develop a formalism to describe the organization of DNA inside bacteriophage capsids during genome packaging. We have previously shown that DNA inside bacteriophage phi29 (ϕ29) is organized into folded toroids [A. S. Petrov and S. C. Harvey, Structure 15, 21 (2007)], whereas epsilon15 (ɛ15) reveals the coaxial organization of the genetic material [A. S. Petrov, K. Lim-Hing, and S. C. Harvey, Structure 15, 807 (2007)]. We now show that each system undergoes two consecutive transitions. The first transition corresponds to the formation of global conformations and is analogous to a disorder-order conformational transition. The second transition is characterized by a significant loss of DNA mobility at the local level leading to glasslike dynamic behavior. Packing genetic material inside bacteriophages can be used as a general model to study the behavior of semiflexible chains inside confined spaces, and the proposed formalism developed here can be used to study other systems of linear polymer chains confined to closed spaces.

  17. Role of interfacial amino acid residues in assembly, stability, and conformation of a spherical virus capsid

    PubMed Central

    Reguera, Juan; Carreira, Aura; Riolobos, Laura; Almendral, José María; Mateu, Mauricio G.

    2004-01-01

    Twenty-eight amino acid residues involved in most noncovalent interactions between trimeric protein subunits in the capsid of the parvovirus minute virus of mice were truncated individually to alanine, and the effects on capsid assembly, thermostability, and conformation were analyzed. Only seven side chains were essential for protein subunit recognition. These side chains virtually corresponded with those that either buried a large hydrophobic surface on trimer association or formed buried intertrimer hydrogen bonds or salt bridges. The seven residues are evolutionarily conserved, and they define regularly spaced spots on a thin equatorial belt surrounding each trimer. Truncation of the many side chains that were dispensable for assembly, including those participating in solvent-accessible polar interactions, did not substantially affect capsid thermostability either. However, the interfacial residues located at the base of the pores delineating the capsid five-fold axes participated in a heat-induced conformational rearrangement associated with externalization of the capsid protein N terminus, and they were needed for infectivity. Thus, at the subunit interfaces of this model virus capsid, only key residues involved in the strongest interactions are critical for assembly and stability, but additional residues fulfill other important biological roles. PMID:14981262

  18. Investigation of the conformational flexibility of DGAT1 peptides using tryptophan fluorescence

    NASA Astrophysics Data System (ADS)

    Lopes, Jose L. S.; Araujo, Ana P. U.; Jameson, David M.

    2015-06-01

    The conformational behavior of synthetic peptides corresponding to the putative binding sites of the diacylglycerol acyltransferase 1 enzyme (a polytopic integral membrane protein) was investigated using steady-state and time-resolved fluorescence spectroscopies. Three small linear peptides with 13, 15 and 22 amino acid residues, containing one, two and three Trp residues, respectively, were studied in aqueous solution, in the absence and presence of model membranes. The high flexibility and unordered conformation of the peptides in solution were confirmed by the low Trp polarization values, the high accessibility to water-soluble quencher, and the fast rotational correlation times of the Trp residues. However, upon binding to the lipid systems, the Trp residues were incorporated within the acyl hydrophobic core and their lifetimes and rotational correlation times increased. Phasor plots were employed to analyze intensity decay of peptide-lipid binding and provided a trajectory, in phasor space, that lies along a line connecting the points of the free and bound peptide. This trajectory was analyzed to determine the association constant of the peptide to the model membrane.

  19. CONFORMANCE IMPROVEMENT USING GELS

    SciTech Connect

    Randall S. Seright

    2004-09-30

    This report describes work performed during the third and final year of the project, ''Conformance Improvement Using Gels.'' Corefloods revealed throughput dependencies of permeability reduction by polymers and gels that were much more prolonged during oil flow than water flow. This behavior was explained using simple mobility ratio arguments. A model was developed that quantitatively fits the results and predicts ''clean up'' times for oil productivity when production wells are returned to service after application of a polymer or gel treatment. X-ray computed microtomography studies of gels in strongly water-wet Berea sandstone and strongly oil-wet porous polyethylene suggested that oil penetration through gel-filled pores occurs by a gel-dehydration mechanism, rather than gel-ripping or gel-displacement mechanisms. In contrast, analysis of data from the University of Kansas suggests that the gel-ripping or displacement mechanisms are more important in more permeable, strongly water-wet sandpacks. These findings help to explain why aqueous gels can reduce permeability to water more than to oil under different conditions. Since cement is the most commonly used material for water shutoff, we considered when gels are preferred over cements. Our analysis and experimental results indicated that cement cannot be expected to completely fill (top to bottom) a vertical fracture of any width, except near the wellbore. For vertical fractures with apertures less than 4 mm, the cement slurry will simply not penetrate very far into the fracture. For vertical fractures with apertures greater than 4 mm, the slurry may penetrate a substantial distance into the bottom part of the fracture. However, except near the wellbore, the upper part of the fracture will remain open due to gravity segregation. We compared various approaches to plugging fractures using gels, including (1) varying polymer content, (2) varying placement (extrusion) rate, (3) using partially formed gels, (4

  20. CONFORMANCE IMPROVEMENT USING GELS

    SciTech Connect

    Randall S. Seright

    2004-03-01

    This technical progress report describes work performed from September 1, 2003, through February 29, 2004, for the project, ''Conformance Improvement Using Gels.'' We examined the properties of several ''partially formed'' gels that were formulated with a combination of high and low molecular weight HPAM polymers. After placement in 4-mm-wide fractures, these gels required about 25 psi/ft for brine to breach the gel (the best performance to date in fractures this wide). After this breach, stabilized residual resistance factors decreased significantly with increased flow rate. Also, residual resistance factors were up to 9 times greater for water than for oil. Nevertheless, permeability reduction factors were substantial for both water and oil flow. Gel with 2.5% chopped fiberglass effectively plugged 4-mm-wide fractures if a 0.5-mm-wide constriction was present. The ability to screen-out at a constriction appears crucial for particulate incorporation to be useful in plugging fractures. In addition to fiberglass, we examined incorporation of polypropylene fibers into gels. Once dispersed in brine or gelant, the polypropylene fibers exhibited the least gravity segregation of any particulate that we have tested to date. In fractures with widths of at least 2 mm, 24-hr-old gels (0.5% high molecular weight HPAM) with 0.5% fiber did not exhibit progressive plugging during placement and showed extrusion pressure gradients similar to those of gels without the fiber. The presence of the fiber roughly doubled the gel's resistance to first breach by brine flow. The breaching pressure gradients were not as large as for gels made with high and low molecular weight polymers (mentioned above). However, their material requirements and costs (i.e., polymer and/or particulate concentrations) were substantially lower than for those gels. A partially formed gel made with 0.5% HPAM did not enter a 0.052-mm-wide fracture when applying a pressure gradient of 65 psi/ft. This result

  1. Radial coordinates for conformal blocks

    NASA Astrophysics Data System (ADS)

    Hogervorst, Matthijs; Rychkov, Slava

    2013-05-01

    We develop the theory of conformal blocks in CFTd expressing them as power series with Gegenbauer polynomial coefficients. Such series have a clear physical meaning when the conformal block is analyzed in radial quantization: individual terms describe contributions of descendants of a given spin. Convergence of these series can be optimized by a judicious choice of the radial quantization origin. We argue that the best choice is to insert the operators symmetrically. We analyze in detail the resulting “ρ-series” and show that it converges much more rapidly than for the commonly used variable z. We discuss how these conformal block representations can be used in the conformal bootstrap. In particular, we use them to derive analytically some bootstrap bounds whose existence was previously found numerically.

  2. Conformal mapping of rectangular heptagons

    SciTech Connect

    Bogatyrev, Andrei B

    2012-12-31

    A new effective approach to calculating the direct and inverse conformal mapping of rectangular polygons onto a half-plane is put forward; it is based on the use of Riemann theta functions. Bibliography: 14 titles.

  3. Lattice Simulations and Infrared Conformality

    DOE PAGES

    Appelquist, Thomas; Fleming, George T.; Lin, Meifeng; Neil, Ethan T.; Schaich, David A

    2011-09-01

    We examine several recent lattice-simulation data sets, asking whether they are consistent with infrared conformality. We observe, in particular, that for an SU(3) gauge theory with 12 Dirac fermions in the fundamental representation, recent simulation data can be described assuming infrared conformality. Lattice simulations include a fermion mass m which is then extrapolated to zero, and we note that this data can be fit by a small-m expansion, allowing a controlled extrapolation. We also note that the conformal hypothesis does not work well for two theories that are known or expected to be confining and chirally broken, and that itmore » does work well for another theory expected to be infrared conformal.« less

  4. Solution NMR conformation of glycosaminoglycans.

    PubMed

    Pomin, Vitor H

    2014-04-01

    Nuclear magnetic resonance (NMR) spectroscopy has been giving a pivotal contribution to the progress of glycomics, mostly by elucidating the structural, dynamical, conformational and intermolecular binding aspects of carbohydrates. Particularly in the field of conformation, NOE resonances, scalar couplings, residual dipolar couplings, and chemical shift anisotropy offsets have been the principal NMR parameters utilized. Molecular dynamics calculations restrained by NMR-data input are usually employed in conjunction to generate glycosidic bond dihedral angles. Glycosaminoglycans (GAGs) are a special class of sulfated polysaccharides extensively studied worldwide. Besides regulating innumerous physiological processes, these glycans are also widely explored in the global market as either clinical or nutraceutical agents. The conformational aspects of GAGs are key regulators to the quality of interactions with the functional proteins involved in biological events. This report discusses the solution conformation of each GAG type analyzed by one or more of the above-mentioned methods.

  5. 14 CFR 420.53 - Control of public access.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 4 2011-01-01 2011-01-01 false Control of public access. 420.53 Section 420.53 Aeronautics and Space COMMERCIAL SPACE TRANSPORTATION, FEDERAL AVIATION ADMINISTRATION....53 Control of public access. (a) A licensee shall prevent unauthorized access to the launch site,...

  6. Exploring the conformational energy landscape of proteins

    SciTech Connect

    Nienhaus, G.U. |; Mueller, J.D.; McMahon, B.H.

    1997-04-01

    Proteins possess a complex energy landscape with a large number of local minima called conformational substates that are arranged in a hierarchical fashion. Here we discuss experiments aimed at the elucidation of the energy landscape in carbonmonoxy myoglobin (MbCO). In the highest tier of the hierarchy, a few taxonomic substates exist. Because of their small number, these substates are accessible to detailed structural investigations. Spectroscopic experiments are discussed that elucidate the role of protonations of amino acid side chains in creating the substates. The lower tiers of the hierarchy contain a large number of statistical substates. Substate interconversions are observed in the entire temperature range from below 1 K up to the denaturation temperature, indicating a wide spectrum of energy barriers that separate the substates.

  7. Flexible backbone sampling methods to model and design protein alternative conformations.

    PubMed

    Ollikainen, Noah; Smith, Colin A; Fraser, James S; Kortemme, Tanja

    2013-01-01

    Sampling alternative conformations is key to understanding how proteins work and engineering them for new functions. However, accurately characterizing and modeling protein conformational ensembles remain experimentally and computationally challenging. These challenges must be met before protein conformational heterogeneity can be exploited in protein engineering and design. Here, as a stepping stone, we describe methods to detect alternative conformations in proteins and strategies to model these near-native conformational changes based on backrub-type Monte Carlo moves in Rosetta. We illustrate how Rosetta simulations that apply backrub moves improve modeling of point mutant side-chain conformations, native side-chain conformational heterogeneity, functional conformational changes, tolerated sequence space, protein interaction specificity, and amino acid covariation across protein-protein interfaces. We include relevant Rosetta command lines and RosettaScripts to encourage the application of these types of simulations to other systems. Our work highlights that critical scoring and sampling improvements will be necessary to approximate conformational landscapes. Challenges for the future development of these methods include modeling conformational changes that propagate away from designed mutation sites and modulating backbone flexibility to predictively design functionally important conformational heterogeneity.

  8. Conformational analysis for some nonclassical antagonists of histamine H3 receptor

    NASA Astrophysics Data System (ADS)

    Borota, Ana; Mracec, Maria; Rad, Ramona; Ostopovici, Liliana; Mracec, Mircea

    A conformational search in vacuum for a series of 1,3-substituted pyrrolidine derivatives has been performed using the AMBER, AM1, PM3, and MNDO methods. Conformational analysis of the pyrrolidine ligands suggests that these compounds could have many conformers that populate the low-energy minima on the potential energy surface (PES). The conformational space occupied by the ligands is large and, in vacuum, the rotation barriers of different flexible bonds have energies between 0.5 and thousands of kcal/mol. By optimization, most conformers have energy barriers of 0-5 kcal/mol; thus, they could interconvert easily to obtain better interactions in the receptor active site. Optimized conformers having energy barriers of >5 kcal/mol display bad geometries with very large bond lengths and deformed rings. Shapes and heights of rotation barriers obtained through COSMO-AM1 single-point calculations in water are similar to those obtained from single-point calculations in vacuum. However, in water the energy barriers are lower, allowing most conformers to convert in other low-energy conformers. The best conformers in vacuum and in water are different: the gas phase best conformer has a helical shape, while the best conformer in water has an extended shape.

  9. CONFORMANCE IMPROVEMENT USING GELS

    SciTech Connect

    Randall S. Seright

    2003-09-01

    This report describes work performed during the second year of the project, ''Conformance Improvement Using Gels.'' The project has two objectives. The first objective is to identify gel compositions and conditions that substantially reduce flow through fractures that allow direct channeling between wells, while leaving secondary fractures open so that high fluid injection and production rates can be maintained. The second objective is to optimize treatments in fractured production wells, where the gel must reduce permeability to water much more than that to oil. Pore-level images from X-ray computed microtomography were re-examined for Berea sandstone and porous polyethylene. This analysis suggests that oil penetration through gel-filled pores occurs by a gel-dehydration mechanism, rather than a gel-ripping mechanism. This finding helps to explain why aqueous gels can reduce permeability to water more than to oil. We analyzed a Cr(III)-acetate-HPAM gel treatment in a production well in the Arbuckle formation. The availability of accurate pressure data before, during, and after the treatment was critical for the analysis. After the gel treatment, water productivity was fairly constant at about 20% of the pre-treatment value. However, oil productivity was stimulated by a factor of 18 immediately after the treatment. During the six months after the treatment, oil productivity gradually decreased to approach the pre-treatment value. To explain this behavior, we proposed that the fracture area open to oil flow was increased substantially by the gel treatment, followed by a gradual closing of the fractures during subsequent production. For a conventional Cr(III)-acetate-HPAM gel, the delay between gelant preparation and injection into a fracture impacts the placement, leakoff, and permeability reduction behavior. Formulations placed as partially formed gels showed relatively low pressure gradients during placement, and yet substantially reduced the flow capacity of

  10. Possible disruption of remote viewing by complex weak magnetic fields around the stimulus site and the possibility of accessing real phase space: a pilot study.

    PubMed

    Koren, S A; Persinger, M A

    2002-12-01

    In 2002 Persinger, Roll, Tiller, Koren, and Cook considered whether there are physical processes by which recondite information exists within the space and time of objects or events. The stimuli that compose this information might be directly detected within the whole brain without being processed by the typical sensory modalities. We tested the artist Ingo Swann who can reliably draw and describe randomly selected photographs sealed in envelopes in another room. In the present experiment the photographs were immersed continuously in repeated presentations (5 times per sec.) of one of two types of computer-generated complex magnetic field patterns whose intensities were less than 20 nT over most of the area. WINDOWS-generated but not DOS-generated patterns were associated with a marked decrease in Mr. Swann's accuracy. Whereas the DOS software generated exactly the same pattern, WINDOWS software phase-modulated the actual wave form resulting in an infinite bandwidth and complexity. We suggest that information obtained by processes attributed to "paranormal" phenomena have physical correlates that can be masked by weak, infinitely variable magnetic fields.

  11. Influence of rotational energy barriers to the conformational search of protein loops in molecular dynamics and ranking the conformations.

    PubMed

    Tappura, K

    2001-08-15

    An adjustable-barrier dihedral angle potential was added as an extension to a novel, previously presented soft-core potential to study its contribution to the efficacy of the search of the conformational space in molecular dynamics. As opposed to the conventional soft-core potential functions, the leading principle in the design of the new soft-core potential, as well as of its extension, the soft-core and adjustable-barrier dihedral angle (SCADA) potential (referred as the SCADA potential), was to maintain the main equilibrium properties of the original force field. This qualifies the methods for a variety of a priori modeling problems without need for additional restraints typically required with the conventional soft-core potentials. In the present study, the different potential energy functions are applied to the problem of predicting loop conformations in proteins. Comparison of the performance of the soft-core and SCADA potential showed that the main hurdles for the efficient sampling of the conformational space of (loops in) proteins are related to the high-energy barriers caused by the Lennard-Jones and Coulombic energy terms, and not to the rotational barriers, although the conformational search can be further enhanced by lowering the rotational barriers of the dihedral angles. Finally, different evaluation methods were studied and a few promising criteria found to distinguish the near-native loop conformations from the wrong ones. PMID:11455590

  12. Probabilistic sampling of protein conformations: new hope for brute force?

    PubMed

    Feldman, Howard J; Hogue, Christopher W V

    2002-01-01

    Protein structure prediction from sequence alone by "brute force" random methods is a computationally expensive problem. Estimates have suggested that it could take all the computers in the world longer than the age of the universe to compute the structure of a single 200-residue protein. Here we investigate the use of a faster version of our FOLDTRAJ probabilistic all-atom protein-structure-sampling algorithm. We have improved the method so that it is now over twenty times faster than originally reported, and capable of rapidly sampling conformational space without lattices. It uses geometrical constraints and a Leonard-Jones type potential for self-avoidance. We have also implemented a novel method to add secondary structure-prediction information to make protein-like amounts of secondary structure in sampled structures. In a set of 100,000 probabilistic conformers of 1VII, 1ENH, and 1PMC generated, the structures with smallest Calpha RMSD from native are 3.95, 5.12, and 5.95A, respectively. Expanding this test to a set of 17 distinct protein folds, we find that all-helical structures are "hit" by brute force more frequently than beta or mixed structures. For small helical proteins or very small non-helical ones, this approach should have a "hit" close enough to detect with a good scoring function in a pool of several million conformers. By fitting the distribution of RMSDs from the native state of each of the 17 sets of conformers to the extreme value distribution, we are able to estimate the size of conformational space for each. With a 0.5A RMSD cutoff, the number of conformers is roughly 2N where N is the number of residues in the protein. This is smaller than previous estimates, indicating an average of only two possible conformations per residue when sterics are accounted for. Our method reduces the effective number of conformations available at each residue by probabilistic bias, without requiring any particular discretization of residue conformational

  13. To conform or not to conform: spontaneous conformity diminishes the sensitivity to monetary outcomes.

    PubMed

    Yu, Rongjun; Sun, Sai

    2013-01-01

    When people have different opinions in a group, they often adjust their own attitudes and behaviors to match the group opinion, known as social conformity. The affiliation account of normative conformity states that people conform to norms in order to 'fit in', whereas the accuracy account of informative conformity posits that the motive to learn from others produces herding. Here, we test another possibility that following the crowd reduces the experienced negative emotion when the group decision turns out to be a bad one. Using event related potential (ERP) combined with a novel group gambling task, we found that participants were more likely to choose the option that was predominately chosen by other players in previous trials, although there was little explicit normative pressure at the decision stage and group choices were not informative. When individuals' choices were different from others, the feedback related negativity (FRN), an ERP component sensitive to losses and errors, was enhanced, suggesting that being independent is aversive. At the outcome stage, the losses minus wins FRN effect was significantly reduced following conformity choices than following independent choices. Analyses of the P300 revealed similar patterns both in the response and outcome period. Our study suggests that social conformity serves as an emotional buffer that protects individuals from experiencing strong negative emotion when the outcomes are bad.

  14. Hemodialysis access - self care

    MedlinePlus

    Kidney failure - chronic-hemodialysis access; Renal failure - chronic-hemodialysis access; Chronic renal insufficiency - hemodialysis access; Chronic kidney failure - hemodialysis access; Chronic renal failure - hemodialysis access; dialysis - hemodialysis access

  15. Gauge theory of a group of diffeomorphisms. II. The conformal and de Sitter groups

    NASA Astrophysics Data System (ADS)

    Lord, Eric A.

    1986-12-01

    The extension of Hehl's Poincaré gauge theory to more general groups that include space-time diffeomorphisms is worked out for two particular examples, one corresponding to the action of the conformal group on Minkowski space, and the other to the action of the de Sitter group on de Sitter space, and the effect of these groups on physical fields.

  16. Twisted geometries, twistors, and conformal transformations

    NASA Astrophysics Data System (ADS)

    Lângvik, Miklos; Speziale, Simone

    2016-07-01

    The twisted geometries of spin network states are described by simple twistors, isomorphic to null twistors with a timelike direction singled out. The isomorphism depends on the Immirzi parameter γ and reduces to the identity for γ =∞ . Using this twistorial representation, we study the action of the conformal group SU(2,2) on the classical phase space of loop quantum gravity, described by twisted geometry. The generators of translations and conformal boosts do not preserve the geometric structure, whereas the dilatation generator does. It corresponds to a one-parameter family of embeddings of T*SL(2,C) in twistor space, and its action preserves the intrinsic geometry while changing the extrinsic one—that is the boosts among polyhedra. We discuss the implication of this action from a dynamical point of view and compare it with a discretization of the dilatation generator of the continuum phase space, given by the Lie derivative of the group character. At leading order in the continuum limit, the latter reproduces the same transformation of the extrinsic geometry, while also rescaling the areas and volumes and preserving the angles associated with the intrinsic geometry. Away from the continuum limit, its action has an interesting nonlinear structure but is in general incompatible with the closure constraint needed for the geometric interpretation. As a side result, we compute the precise relation between the extrinsic geometry used in twisted geometries and the one defined in the gauge-invariant parametrization by Dittrich and Ryan and show that the secondary simplicity constraints they posited coincide with those dynamically derived in the toy model of [Classical Quantum Gravity 32, 195015 (2015)].

  17. Conformal invariance, dynamical dark energy and the CMB

    SciTech Connect

    Mottola, Emil

    2010-01-01

    Einstein's General Relativity receives quantum corrections relevant at cosmological distance scales. These effects arise from conformal scalar degrees of freedom in the extended Effective Field Theory (EFT) of gravity required by the trace anomaly of the quantum stress tensor in curved space. Scalar degrees of freedom in cosmology arise naturally from the effective action of the trace anomaly in the Standard Model, without the ad hoc introduction of an inflaton field. In the EFT including the trace anomaly terms, {Lambda}{sub eff} becomes dynamical and potentially dependent upon both space and time. The fluctuations of these anomaly scalars may also influence the spectrum and statistics of the Cosmic Microwave Background (CMB). Under the hypothesis that scale invariance should be promoted to full conformal invariance, an hypothesis supported by the embedding of the conformal group of three dimensional flat sections in de Sitter space, the form of the CMB bi-spectrum can be fixed, and the tri-spectrum constrained. The angular spectra predicted by conformal invariance differ from those suggested by simple models of inflation.

  18. Prediction of conformationally dependent atomic multipole moments in carbohydrates.

    PubMed

    Cardamone, Salvatore; Popelier, Paul L A

    2015-12-15

    The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings.

  19. Bootstrapping conformal field theories with the extremal functional method.

    PubMed

    El-Showk, Sheer; Paulos, Miguel F

    2013-12-13

    The existence of a positive linear functional acting on the space of (differences between) conformal blocks has been shown to rule out regions in the parameter space of conformal field theories (CFTs). We argue that at the boundary of the allowed region the extremal functional contains, in principle, enough information to determine the dimensions and operator product expansion (OPE) coefficients of an infinite number of operators appearing in the correlator under analysis. Based on this idea we develop the extremal functional method (EFM), a numerical procedure for deriving the spectrum and OPE coefficients of CFTs lying on the boundary (of solution space). We test the EFM by using it to rederive the low lying spectrum and OPE coefficients of the two-dimensional Ising model based solely on the dimension of a single scalar quasiprimary--no Virasoro algebra required. Our work serves as a benchmark for applications to more interesting, less known CFTs in the near future. PMID:24483643

  20. Bootstrapping conformal field theories with the extremal functional method.

    PubMed

    El-Showk, Sheer; Paulos, Miguel F

    2013-12-13

    The existence of a positive linear functional acting on the space of (differences between) conformal blocks has been shown to rule out regions in the parameter space of conformal field theories (CFTs). We argue that at the boundary of the allowed region the extremal functional contains, in principle, enough information to determine the dimensions and operator product expansion (OPE) coefficients of an infinite number of operators appearing in the correlator under analysis. Based on this idea we develop the extremal functional method (EFM), a numerical procedure for deriving the spectrum and OPE coefficients of CFTs lying on the boundary (of solution space). We test the EFM by using it to rederive the low lying spectrum and OPE coefficients of the two-dimensional Ising model based solely on the dimension of a single scalar quasiprimary--no Virasoro algebra required. Our work serves as a benchmark for applications to more interesting, less known CFTs in the near future.

  1. 40 CFR 93.154 - Conformity analysis.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Conformity analysis. 93.154 Section 93...) DETERMINING CONFORMITY OF FEDERAL ACTIONS TO STATE OR FEDERAL IMPLEMENTATION PLANS Determining Conformity of General Federal Actions to State or Federal Implementation Plans § 93.154 Conformity analysis. Any...

  2. Easy Access

    ERIC Educational Resources Information Center

    Gettelman, Alan

    2009-01-01

    School and university restrooms, locker and shower rooms have specific ADA accessibility requirements that serve the needs of staff, students and campus visitors who are disabled as a result of injury, illness or age. Taking good care of them is good for the reputation of a sensitive community institution, and fosters positive public relations.…

  3. Access Denied

    ERIC Educational Resources Information Center

    Raths, David

    2012-01-01

    As faculty members add online and multimedia elements to their courses, colleges and universities across the country are realizing that there is a lot of work to be done to ensure that disabled students (and employees) have equal access to course material and university websites. Unfortunately, far too few schools consider the task a top priority.…

  4. Expanding Access

    ERIC Educational Resources Information Center

    Roach, Ronald

    2007-01-01

    There is no question that the United States lags behind most industrialized nations in consumer access to broadband Internet service. For many policy makers and activists, this shortfall marks the latest phase in the struggle to overcome the digital divide. To remedy this lack of broadband affordability and availability, one start-up firm--with…

  5. Annual Report Electrochemical Machining of Access Holes

    SciTech Connect

    Cooper, J F; Evans, M; Whipple, R

    2006-01-04

    We report the advances made in electrochemical machining of access holes through sheet metal during FY2005. The cutting tool underwent a major engineering re-design to accommodate an oblong cut with parallel sides (1.5'' spacing) on a surface of arbitrary curvature. The solid cathode was replaced by an array of separately movable steel pins, allowing the tool to conform to the surface shape of the work piece prior to beginning cutting. Preliminary cuts through a hardened steel drum (0.04 inch thickness) were successfully completed at a low current (50A) but the current efficiency of the cutting process was poor (<30%). Efficiency was improved to 75% and the cutting time reduced to 8 minutes in heated electrolyte at 100 A and 4.5 V. This work led to improvements in process simplicity and ease of operation: (1) continuous movement of the cathode towards the work piece was eliminated in favor of a fixed cathode; (2) the surfaces of the cutting pins do not require insulation; (3) a spider support for the tool provides for rapid positioning of the cutting tool; (4) negative electrolyte pressure minimized leakage into the drum following breakthrough. We found no reactivity of various HE's with alternative candidate ECM electrolytes.

  6. Conformational study of arbutin by quantum chemical calculations and multivariate analysis

    NASA Astrophysics Data System (ADS)

    Araujo-Andrade, Cuauhtémoc; Lopes, Susy; Fausto, Rui; Gómez-Zavaglia, Andrea

    2010-06-01

    A conformational study of the molecule of arbutin (4-hydroxyphenyl-β- D-glucopyranoside) has been undertaken. The molecule is composed by a glucopyranoside moiety bound to a phenol ring. It has eight conformationally relevant dihedral angles, five of them related with the orientation of the hydroxyl groups and the remaining three taking part in the skeleton of the molecule. A systematic search on the conformational space of arbutin was performed using molecular orbital methods, followed by the identification of structural similarities between the different conformers, using multivariate analyses. This approach allowed the grouping of conformers according to their structural affinity and the establishment of correlations between their structures and several properties. Intramolecular interactions involving OH groups were also investigated and correlations between spectroscopic, structural and thermodynamic properties established. The developed strategy might be useful to investigate the structure and structure/properties correlations in other conformationally flexible molecules.

  7. Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

    PubMed Central

    Plattner, Nuria; Noé, Frank

    2015-01-01

    Understanding the structural mechanisms of protein–ligand binding and their dependence on protein sequence and conformation is of fundamental importance for biomedical research. Here we investigate the interplay of conformational change and ligand-binding kinetics for the serine protease Trypsin and its competitive inhibitor Benzamidine with an extensive set of 150 μs molecular dynamics simulation data, analysed using a Markov state model. Seven metastable conformations with different binding pocket structures are found that interconvert at timescales of tens of microseconds. These conformations differ in their substrate-binding affinities and binding/dissociation rates. For each metastable state, corresponding solved structures of Trypsin mutants or similar serine proteases are contained in the protein data bank. Thus, our wild-type simulations explore a space of conformations that can be individually stabilized by adding ligands or making suitable changes in protein sequence. These findings provide direct evidence of conformational plasticity in receptors. PMID:26134632

  8. DBI realizations of the pseudo-conformal universe and Galilean Genesis scenarios

    SciTech Connect

    Hinterbichler, Kurt; Joyce, Austin; Khoury, Justin; Miller, Godfrey E.J. E-mail: joyceau@sas.upenn.edu E-mail: godfreym@sas.upenn.edu

    2012-12-01

    The pseudo-conformal universe is an alternative to inflation in which the early universe is described by a conformal field theory on approximately flat space-time. The fields develop time-dependent expectation values, spontaneously breaking the conformal symmetries to a de Sitter subalgebra, and fields of conformal weight zero acquire a scale invariant spectrum of perturbations. In this paper, we show that the pseudo-conformal scenario can be naturally realized within theories that would ordinarily be of interest for DBI inflation, such as the world-volume theory of a probe brane in an AdS bulk space-time. In this approach, the weight zero spectator field can be associated with a geometric flat direction in the bulk, and its scale invariance is protected by a shift symmetry.

  9. Conformation-sensitive capillary electrophoresis.

    PubMed

    Ashton, Emma Jane

    2011-01-01

    Conformation-sensitive capillary electrophoresis (CSCE) is a rapid, high-throughput screening method that can be applied to any region of a genome for detection of sequence variants. Slab gel-based conformation-sensitive gel electrophoresis was first described by Ganguly et al., and the transfer from slab gels to capillaries for higher throughput was reported by Rozycka et al. CSCE is based on the principle that DNA homoduplexes and heteroduplexes migrate at different rates during electrophoresis under mildly denaturing conditions. Fragments showing an altered peak morphology compared to the wild type are then sequenced to determine the precise nature of the sequence variant detected.

  10. Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine

    SciTech Connect

    Borba, Ana Fausto, Rui; Gómez-Zavaglia, Andrea

    2014-10-21

    The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated potential energy surfaces, which are characterized by different dominant intramolecular interactions: type I conformers are stabilized by hydrogen bonds of the type N–H···O=C, type II by a strong O–H···N hydrogen bond, type III by weak N–H···O–H hydrogen bonds, and type IV by a C=O···H–C contact. The calculations indicate also that entropic effects are relevant in determining the equilibrium populations of the conformers of PG in the gas phase, in particular in the case of conformers of type II, where the strong intramolecular O–H···N hydrogen bond considerably diminishes entropy by reducing the conformational mobility of the molecule. In consonance with the relative energies of the conformers and barriers for conformational interconversion, only 3 conformers of PG were observed for the compound isolated in cryogenic Ar, Xe, and N{sub 2} matrices: the conformational ground state (ICa), and forms ICc and IITa. All other significantly populated conformers existing in the gas phase prior to deposition convert either to conformer ICa or to conformer ICc during matrix deposition. The experimental observation of ICc had never been achieved hitherto. Narrowband near-IR irradiation of the first overtone of νOH vibrational mode of ICa and ICc in nitrogen matrices (at 6910 and 6930 cm{sup −1}, respectively) led to selective generation of two additional conformers of high-energy, ITc and ITa, respectively, which were also observed experimentally for the first time. In addition, these experiments also provided the key information for the detailed vibrational characterization of the 3 conformers initially present in the matrices. On the other hand, UV irradiation (λ = 255 nm) of PG isolated in a xenon matrix revealed that

  11. Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine.

    PubMed

    Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, Rui

    2014-10-21

    The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated potential energy surfaces, which are characterized by different dominant intramolecular interactions: type I conformers are stabilized by hydrogen bonds of the type N-H···O=C, type II by a strong O-H···N hydrogen bond, type III by weak N-H···O-H hydrogen bonds, and type IV by a C=O···H-C contact. The calculations indicate also that entropic effects are relevant in determining the equilibrium populations of the conformers of PG in the gas phase, in particular in the case of conformers of type II, where the strong intramolecular O-H···N hydrogen bond considerably diminishes entropy by reducing the conformational mobility of the molecule. In consonance with the relative energies of the conformers and barriers for conformational interconversion, only 3 conformers of PG were observed for the compound isolated in cryogenic Ar, Xe, and N2 matrices: the conformational ground state (ICa), and forms ICc and IITa. All other significantly populated conformers existing in the gas phase prior to deposition convert either to conformer ICa or to conformer ICc during matrix deposition. The experimental observation of ICc had never been achieved hitherto. Narrowband near-IR irradiation of the first overtone of νOH vibrational mode of ICa and ICc in nitrogen matrices (at 6910 and 6930 cm(-1), respectively) led to selective generation of two additional conformers of high-energy, ITc and ITa, respectively, which were also observed experimentally for the first time. In addition, these experiments also provided the key information for the detailed vibrational characterization of the 3 conformers initially present in the matrices. On the other hand, UV irradiation (λ = 255 nm) of PG isolated in a xenon matrix revealed that PG undergoes facile

  12. Correspondence between asymptotically flat spacetimes and nonrelativistic conformal field theories.

    PubMed

    Bagchi, Arjun

    2010-10-22

    We find a surprising connection between asymptotically flat spacetimes and nonrelativistic conformal systems in one lower dimension. The Bondi-Metzner-Sachs (BMS) group is the group of asymptotic isometries of flat Minkowski space at null infinity. This is known to be infinite dimensional in three and four dimensions. We show that the BMS algebra in 3 dimensions is the same as the 2D Galilean conformal algebra (GCA) which is of relevance to nonrelativistic conformal symmetries. We further justify our proposal by looking at a Penrose limit on a radially infalling null ray inspired by nonrelativistic scaling and obtain a flat metric. The BMS4 algebra is also discussed and found to be the same as another class of GCA, called semi-GCA, in three dimensions. We propose a general BMS-GCA correspondence. Some consequences are discussed. PMID:21231033

  13. Correspondence between Asymptotically Flat Spacetimes and Nonrelativistic Conformal Field Theories

    SciTech Connect

    Bagchi, Arjun

    2010-10-22

    We find a surprising connection between asymptotically flat spacetimes and nonrelativistic conformal systems in one lower dimension. The Bondi-Metzner-Sachs (BMS) group is the group of asymptotic isometries of flat Minkowski space at null infinity. This is known to be infinite dimensional in three and four dimensions. We show that the BMS algebra in 3 dimensions is the same as the 2D Galilean conformal algebra (GCA) which is of relevance to nonrelativistic conformal symmetries. We further justify our proposal by looking at a Penrose limit on a radially infalling null ray inspired by nonrelativistic scaling and obtain a flat metric. The BMS{sub 4} algebra is also discussed and found to be the same as another class of GCA, called semi-GCA, in three dimensions. We propose a general BMS-GCA correspondence. Some consequences are discussed.

  14. Plan-graph Based Heuristics for Conformant Probabilistic Planning

    NASA Technical Reports Server (NTRS)

    Ramakrishnan, Salesh; Pollack, Martha E.; Smith, David E.

    2004-01-01

    In this paper, we introduce plan-graph based heuristics to solve a variation of the conformant probabilistic planning (CPP) problem. In many real-world problems, it is the case that the sensors are unreliable or take too many resources to provide knowledge about the environment. These domains are better modeled as conformant planning problems. POMDP based techniques are currently the most successful approach for solving CPP but have the limitation of state- space explosion. Recent advances in deterministic and conformant planning have shown that plan-graphs can be used to enhance the performance significantly. We show that this enhancement can also be translated to CPP. We describe our process for developing the plan-graph heuristics and estimating the probability of a partial plan. We compare the performance of our planner PVHPOP when used with different heuristics. We also perform a comparison with a POMDP solver to show over a order of magnitude improvement in performance.

  15. A sampling approach for protein backbone fragment conformations.

    PubMed

    Yu, J Y; Zhang, W

    2013-01-01

    In protein structure prediction, backbone fragment bias information can narrow down the conformational space of the whole polypeptide chain significantly. Unlike existing methods that use fragments as building blocks, the paper presents a probabilistic sampling approach for protein backbone torsion angles by modelling angular correlation of (phi, psi) with a directional statistics distribution. Given a protein sequence and secondary structure information, this method samples backbone fragments conformations by using a backtrack sampling algorithm for the hidden Markov model with multiple inputs and a single output. The proposed approach is applied to a fragment library, and some well-known structural motifs are sampled very well on the optimal path. Computational results show that the method can help to obtain native-like backbone fragments conformations. PMID:23777175

  16. Conformal Doping of FINFETs: a Fabrication and Metrology Challenge

    SciTech Connect

    Vandervorst, W.; Mody, J.; Zschaetzsch, G.; Koelling, S.; Everaert, J. L.; Rosseel, E.; Jurczak, M.; Hoffman, T.; Eyben, P.; Gilbert, M.; Poon, T.; Del Agua Borniquel, J.; Foad, M.; Duffy, R.; Pawlak, B. J.

    2008-11-03

    Whereas the introduction of 3D-dimensional devices such as FINFETs may be a solution for next generation technologies, they do represent significant challenges with respect to the doping strategies and the junction characterization. Aiming at a conformal doping, classical beam implants fail due to the differences in impact angle, ion incorporation efficiency and the effect of wafer rotation. Moreover shadowing represents an additional limitation for larger tilt angles when considering closely spaced FINs. Plasma immersion doping is an alternative approach which holds the promise of conformality but is also quite challenging and relies on secondary processes such as resputtering, deposition and in diffusion etc. Its implementation is compromised by concurrent artifacts, sputter erosion being the most important one. In support of these developments the measurement of the 3D-dopant distribution and the identification of conformality is essential requiring adequate metrology such as Scanning Spreading Resistance Microscopy, SIMS through FINs, resistors and the Tomographic Atomprobe.

  17. Scale invariance, conformality, and generalized free fields

    NASA Astrophysics Data System (ADS)

    Dymarsky, Anatoly; Farnsworth, Kara; Komargodski, Zohar; Luty, Markus A.; Prilepina, Valentina

    2016-02-01

    This paper addresses the question of whether there are 4D Lorentz invariant unitary quantum field theories with scale invariance but not conformal invariance. An important loophole in the arguments of Luty-Polchinski-Rattazzi and Dymarsky-Komargodski-Schwimmer-Theisen is that trace of the energy-momentum tensor T could be a generalized free field. In this paper we rule out this possibility. The key ingredient is the observation that a unitary theory with scale but not conformal invariance necessarily has a non-vanishing anomaly for global scale transformations. We show that this anomaly cannot be reproduced if T is a generalized free field unless the theory also contains a dimension-2 scalar operator. In the special case where such an operator is present it can be used to redefine ("improve") the energy-momentum tensor, and we show that there is at least one energy-momentum tensor that is not a generalized free field. In addition, we emphasize that, in general, large momentum limits of correlation functions cannot be understood from the leading terms of the coordinate space OPE. This invalidates a recent argument by Farnsworth-Luty-Prilepina (FLP). Despite the invalidity of the general argument of FLP, some of the techniques turn out to be useful in the present context.

  18. Scale invariance, conformality, and generalized free fields

    DOE PAGES

    Dymarsky, Anatoly; Farnsworth, Kara; Komargodski, Zohar; Luty, Markus A.; Prilepina, Valentina

    2016-02-16

    This paper addresses the question of whether there are 4D Lorentz invariant unitary quantum fi eld theories with scale invariance but not conformal invariance. We present an important loophole in the arguments of Luty-Polchinski-Rattazzi and Dymarsky-Komargodski-Schwimmer-Theisen that is the trace of the energy-momentum tensor T could be a generalized free field. In this paper we rule out this possibility. The key ingredient is the observation that a unitary theory with scale but not conformal invariance necessarily has a non-vanishing anomaly for global scale transformations. We show that this anomaly cannot be reproduced if T is a generalized free field unlessmore » the theory also contains a dimension-2 scalar operator. In the special case where such an operator is present it can be used to redefine ("improve") the energy-momentum tensor, and we show that there is at least one energy-momentum tensor that is not a generalized free field. In addition, we emphasize that, in general, large momentum limits of correlation functions cannot be understood from the leading terms of the coordinate space OPE. This invalidates a recent argument by Farnsworth-Luty-Prilepina (FLP). Finally, despite the invalidity of the general argument of FLP, some of the techniques turn out to be useful in the present context.« less

  19. Conformal coating value/risk assessment for Sandia satellite programs.

    SciTech Connect

    Russick, Edward Mark; Thayer, Gayle Echo

    2008-03-01

    Conformal coatings are used in space applications on printed circuit board (PCB) assemblies primarily as a protective barrier against environmental contaminants. Such coatings have been used at Sandia for decades in satellite applications including the GPS satellite program. Recently, the value of conformal coating has been questioned because it is time consuming (requiring a 5-6 week schedule allowance) and delays due to difficulty of repairs and rework performed afterward are troublesome. In an effort to find opportunities where assembly time can be reduced, a review of the literature as well as discussions with satellite engineers both within and external to Sandia regarding the value of conformal coating was performed. Several sources on the value of conformal coating, the functions it performs, and on whether coatings are necessary and should be used at all were found, though nearly all were based on anecdotal information. The first section of this report, titled 'Conformal Coating for Space Applications', summarizes the results of an initial risk-value assessment of the conformal coating process for Sandia satellite programs based on information gathered. In the process of collecting information to perform the assessment, it was necessary to obtain a comprehensive understanding of the entire satellite box assembly process. A production time-line was constructed and is presented in the second section of this report, titled 'Satellite Box Assembly', specifically to identify potential sources of time delays, manufacturing issues, and component failures related to the conformal coating process in relation to the box assembly. The time-line also allows for identification of production issues that were anecdotally attributed to the conformal coating but actually were associated with other production steps in the box assembly process. It was constructed largely in consultation with GPS program engineers with empirical knowledge of times required to complete the

  20. The Space Shuttle

    NASA Technical Reports Server (NTRS)

    Moffitt, William L.

    2003-01-01

    As missions have become increasingly more challenging over the years, the most adaptable and capable element of space shuttle operations has proven time and again to be human beings. Human space flight provides unique aspects of observation. interaction and intervention that can reduce risk and improve mission success. No other launch vehicle - in development or in operation today - can match the space shuttle's human space flight capabilities. Preserving U.S. leadership in human space flight requires a strategy to meet those challenges. The ongoing development of next generation vehicles, along with upgrades to the space shuttle, is the most effective means for assuring our access to space.

  1. Conformal killing tensors and covariant Hamiltonian dynamics

    SciTech Connect

    Cariglia, M.; Gibbons, G. W.; Holten, J.-W. van; Horvathy, P. A.; Zhang, P.-M.

    2014-12-15

    A covariant algorithm for deriving the conserved quantities for natural Hamiltonian systems is combined with the non-relativistic framework of Eisenhart, and of Duval, in which the classical trajectories arise as geodesics in a higher dimensional space-time, realized by Brinkmann manifolds. Conserved quantities which are polynomial in the momenta can be built using time-dependent conformal Killing tensors with flux. The latter are associated with terms proportional to the Hamiltonian in the lower dimensional theory and with spectrum generating algebras for higher dimensional quantities of order 1 and 2 in the momenta. Illustrations of the general theory include the Runge-Lenz vector for planetary motion with a time-dependent gravitational constant G(t), motion in a time-dependent electromagnetic field of a certain form, quantum dots, the Hénon-Heiles and Holt systems, respectively, providing us with Killing tensors of rank that ranges from one to six.

  2. Facilitated diffusion framework for transcription factor search with conformational changes

    NASA Astrophysics Data System (ADS)

    Cartailler, Jérôme; Reingruber, Jürgen

    2015-07-01

    Cellular responses often require the fast activation or repression of specific genes, which depends on transcription factors (TFs) that have to quickly find the promoters of these genes within a large genome. TFs search for their DNA promoter target by alternating between bulk diffusion and sliding along the DNA, a mechanism known as facilitated diffusion. We study a facilitated diffusion framework with switching between three search modes: a bulk mode and two sliding modes triggered by conformational changes between two protein conformations. In one conformation (search mode) the TF interacts unspecifically with the DNA backbone resulting in fast sliding. In the other conformation (recognition mode) it interacts specifically and strongly with DNA base pairs leading to slow displacement. From the bulk, a TF associates with the DNA at a random position that is correlated with the previous dissociation point, which implicitly is a function of the DNA structure. The target affinity depends on the conformation. We derive exact expressions for the mean first passage time (MFPT) to bind to the promoter and the conditional probability to bind before detaching when arriving at the promoter site. We systematically explore the parameter space and compare various search scenarios. We compare our results with experimental data for the dimeric Lac repressor search in E. coli bacteria. We find that a coiled DNA conformation is absolutely necessary for a fast MFPT. With frequent spontaneous conformational changes, a fast search time is achieved even when a TF becomes immobilized in the recognition state due to the specific bindings. We find a MFPT compatible with experimental data in presence of a specific TF-DNA interaction energy that has a Gaussian distribution with a large variance.

  3. Temperature: Human Regulating, Ants Conforming

    ERIC Educational Resources Information Center

    Clopton, Joe R.

    2007-01-01

    Biological processes speed up as temperature rises. Procedures for demonstrating this with ants traveling on trails, and data gathered by students on the Argentine ant ("Linepithema humile") are presented. The concepts of temperature regulation and conformity are detailed with a focus on the processes rather than on terms that label the organisms.

  4. Conformal coating using parylene polymers.

    PubMed

    Noordegraaf, J

    1997-01-01

    Parylene, a conformal polymer film, is being used increasingly in Europe to provide environmental and dielectric isolation. Application areas include electronic circuitry, sensors, and medical substrates. This article describes the variants of parylene and their characteristics, together with the process and applications of parylene coating. PMID:10167681

  5. Caspase Allostery and Conformational Selection.

    PubMed

    Clark, A Clay

    2016-06-01

    The role of caspase proteases in regulated processes such as apoptosis and inflammation has been studied for more than two decades, and the activation cascades are known in detail. Apoptotic caspases also are utilized in critical developmental processes, although it is not known how cells maintain the exquisite control over caspase activity in order to retain subthreshold levels required for a particular adaptive response while preventing entry into apoptosis. In addition to active site-directed inhibitors, caspase activity is modulated by post-translational modifications or metal binding to allosteric sites on the enzyme, which stabilize inactive states in the conformational ensemble. This review provides a comprehensive global view of the complex conformational landscape of caspases and mechanisms used to select states in the ensemble. The caspase structural database provides considerable detail on the active and inactive conformations in the ensemble, which provide the cell multiple opportunities to fine tune caspase activity. In contrast, the current database on caspase modifications is largely incomplete and thus provides only a low-resolution picture of global allosteric communications and their effects on the conformational landscape. In recent years, allosteric control has been utilized in the design of small drug compounds or other allosteric effectors to modulate caspase activity.

  6. The conformational analysis of 2-halocyclooctanones.

    PubMed

    Rozada, Thiago C; Gauze, Gisele F; Rosa, Fernanda A; Favaro, Denize C; Rittner, Roberto; Pontes, Rodrigo M; Basso, Ernani A

    2015-02-25

    The establishment of the most stable structures of eight membered rings is a challenging task to the field of conformational analysis. In this work, a series of 2-halocyclooctanones were synthesized (including fluorine, chlorine, bromine and iodine derivatives) and submitted to conformational studies using a combination of theoretical calculation and infrared spectroscopy. For each compound, four conformations were identified as the most important ones. These conformations are derived from the chair-boat conformation of cyclooctanone. The pseudo-equatorial (with respect to the halogen) conformer is preferred in vacuum and in low polarity solvents for chlorine, bromine and iodine derivatives. For 2-fluorocyclooctanone, the preferred conformation in vacuum is pseudo-axial. In acetonitrile, the pseudo-axial conformer becomes the most stable for the chlorine derivative. According to NBO calculations, the conformational preference is not dictated by electron delocalization, but by classical electrostatic repulsions.

  7. Hemodialysis access procedures

    MedlinePlus

    Kidney failure - chronic-dialysis access; Renal failure - chronic-dialysis access; Chronic renal insufficiency-dialysis access; Chronic kidney failure-dialysis access; Chronic renal failure-dialysis access

  8. Compactification on phase space

    NASA Astrophysics Data System (ADS)

    Lovelady, Benjamin; Wheeler, James

    2016-03-01

    A major challenge for string theory is to understand the dimensional reduction required for comparison with the standard model. We propose reducing the dimension of the compactification by interpreting some of the extra dimensions as the energy-momentum portion of a phase-space. Such models naturally arise as generalized quotients of the conformal group called biconformal spaces. By combining the standard Kaluza-Klein approach with such a conformal gauge theory, we may start from the conformal group of an n-dimensional Euclidean space to form a 2n-dimensional quotient manifold with symplectic structure. A pair of involutions leads naturally to two n-dimensional Lorentzian manifolds. For n = 5, this leaves only two extra dimensions, with a countable family of possible compactifications and an SO(5) Yang-Mills field on the fibers. Starting with n=6 leads to 4-dimensional compactification of the phase space. In the latter case, if the two dimensions each from spacetime and momentum space are compactified onto spheres, then there is an SU(2)xSU(2) (left-right symmetric electroweak) field between phase and configuration space and an SO(6) field on the fibers. Such a theory, with minor additional symmetry breaking, could contain all parts of the standard model.

  9. Stochastic ensembles, conformationally adaptive teamwork, and enzymatic detoxification.

    PubMed

    Atkins, William M; Qian, Hong

    2011-05-17

    It has been appreciated for a long time that enzymes exist as conformational ensembles throughout multiple stages of the reactions they catalyze, but there is renewed interest in the functional implications. The energy landscape that results from conformationlly diverse poteins is a complex surface with an energetic topography in multiple dimensions, even at the transition state(s) leading to product formation, and this represents a new paradigm. At the same time there has been renewed interest in conformational ensembles, a new paradigm concerning enzyme function has emerged, wherein catalytic promiscuity has clear biological advantages in some cases. "Useful", or biologically functional, promiscuity or the related behavior of "multifunctionality" can be found in the immune system, enzymatic detoxification, signal transduction, and the evolution of new function from an existing pool of folded protein scaffolds. Experimental evidence supports the widely held assumption that conformational heterogeneity promotes functional promiscuity. The common link between these coevolving paradigms is the inherent structural plasticity and conformational dynamics of proteins that, on one hand, lead to complex but evolutionarily selected energy landscapes and, on the other hand, promote functional promiscuity. Here we consider a logical extension of the overlap between these two nascent paradigms: functionally promiscuous and multifunctional enzymes such as detoxification enzymes are expected to have an ensemble landscape with more states accessible on multiple time scales than substrate specific enzymes. Two attributes of detoxification enzymes become important in the context of conformational ensembles: these enzymes metabolize multiple substrates, often in substrate mixtures, and they can form multiple products from a single substrate. These properties, combined with complex conformational landscapes, lead to the possibility of interesting time-dependent, or emergent

  10. Keyless Access

    ERIC Educational Resources Information Center

    Kennedy, Mike

    2009-01-01

    A fundamental truth of building security is that one misplaced key constitutes a crack in the armor that protects a space from unwelcome intruders. Imagine the headaches for administrators and security officials at a large university, where thousands of keys that are distributed to students and staff never find their way back to school officials.…

  11. Fake conformal symmetry in unimodular gravity

    NASA Astrophysics Data System (ADS)

    Oda, Ichiro

    2016-08-01

    We study Weyl symmetry (local conformal symmetry) in unimodular gravity. It is shown that the Noether currents for both Weyl symmetry and global scale symmetry vanish exactly as in conformally invariant scalar-tensor gravity. We clearly explain why in the class of conformally invariant gravitational theories, the Noether currents vanish by starting with conformally invariant scalar-tensor gravity. Moreover, we comment on both classical and quantum-mechanical equivalences in Einstein's general relativity, conformally invariant scalar-tensor gravity, and the Weyl-transverse gravity. Finally, we discuss the Weyl current in the conformally invariant scalar action and see that it is also vanishing.

  12. Conformal Gravity rotation curves with a conformal Higgs halo

    NASA Astrophysics Data System (ADS)

    Horne, Keith

    2016-06-01

    We discuss the effect of a conformally coupled Higgs field on conformal gravity (CG) predictions for the rotation curves of galaxies. The Mannheim-Kazanas (MK) metric is a valid vacuum solution of CG's fourth-order Poisson equation if and only if the Higgs field has a particular radial profile, S(r) = S0 a/(r + a), decreasing from S0 at r = 0 with radial scalelength a. Since particle rest masses scale with S(r)/S0, their world lines do not follow time-like geodesics of the MK metric gμν, as previously assumed, but rather those of the Higgs-frame MK metric tilde{g}_{μ ν }=Ω ^2 g_{μ ν }, with the conformal factor Ω(r) = S(r)/S0. We show that the required stretching of the MK metric exactly cancels the linear potential that has been invoked to fit galaxy rotation curves without dark matter. We also formulate, for spherical structures with a Higgs halo S(r), the CG equations that must be solved for viable astrophysical tests of CG using galaxy and cluster dynamics and lensing.

  13. De novo protein conformational sampling using a probabilistic graphical model

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Debswapna; Cheng, Jianlin

    2015-11-01

    Efficient exploration of protein conformational space remains challenging especially for large proteins when assembling discretized structural fragments extracted from a protein structure data database. We propose a fragment-free probabilistic graphical model, FUSION, for conformational sampling in continuous space and assess its accuracy using ‘blind’ protein targets with a length up to 250 residues from the CASP11 structure prediction exercise. The method reduces sampling bottlenecks, exhibits strong convergence, and demonstrates better performance than the popular fragment assembly method, ROSETTA, on relatively larger proteins with a length of more than 150 residues in our benchmark set. FUSION is freely available through a web server at http://protein.rnet.missouri.edu/FUSION/.

  14. Launch system design for access to space

    NASA Technical Reports Server (NTRS)

    Barnes, Corbin

    1994-01-01

    Here, a hybrid launch system is developed. The hybrid launch system combines the lower operating cost advantage of an non-man-rated SSTO (Single Stage to Orbit) MLV (Medium Launch Vehicle) with the crew survivability advantage of a ballistic escape pod. Ultimately, it was found that a non-man-made MLV is configured the same as a man-rated MLV and offers no significant savings in operational cost. However, addition of the proposed escape system would increase the crew survivability rate of the SSTO while incurring only a small cost per pound payload penalty.

  15. A surprising role for conformational entropy in protein function

    PubMed Central

    Wand, A. Joshua; Moorman, Veronica R.; Harpole, Kyle W.

    2014-01-01

    Formation of high-affinity complexes is critical for the majority of enzymatic reactions involving proteins. The creation of the family of Michaelis and other intermediate complexes during catalysis clearly involves a complicated manifold of interactions that are diverse and complex. Indeed, computing the energetics of interactions between proteins and small molecule ligands using molecular structure alone remains a grand challenge. One of the most difficult contributions to the free energy of protein-ligand complexes to experimentally access is that due to changes in protein conformational entropy. Fortunately, recent advances in solution nuclear magnetic resonance (NMR) relaxation methods have enabled the use of measures-of-motion between conformational states of a protein as a proxy for conformational entropy. This review briefly summarizes the experimental approaches currently employed to characterize fast internal motion in proteins, how this information is used to gain insight into conformational entropy, what has been learned and what the future may hold for this emerging view of protein function. PMID:23478875

  16. Conformal Window and Correlation Functions in Lattice Conformal QCD

    NASA Astrophysics Data System (ADS)

    Iwasaki, Y.

    We discuss various aspects of Conformal Field Theories on the Lattice. We mainly investigate the SU(3) gauge theory with Nf degenerate fermions in the fundamental representation, employing the one-plaquette gauge action and the Wilson fermion action. First we make a brief review of our previous works on the phase structure of lattice gauge theories in terms of the gauge coupling constant and the quark mass. We thereby clarify the reason why we conjecture that the conformal window is 7 ≤ Nf ≤ 16. Secondly, we introduce a new concept, "conformal theories with IR cutof" and point out that any numerical simulation on a lattice is bounded by an IR cutoff ∧IR. Then we make predictions that when Nf is within the conformal window, the propagator of a meson G(t) behaves at large t, as G(t) = c exp (-mHt)/tα, that is, a modified Yukawa-type decay form, instead of the usual exponential decay form exp (-mHt), in the small quark mass region. This holds on an any lattice for any coupling constant g, as far as g is between 0 and g*, where g* is the IR fixed point. We verify that numerical results really satisfy the predictions for the Nf = 7 case and the Nf = 16 case. Thirdly, we discuss small number of flavors (Nf = 2 ˜ 6) QCD at finite temperatures. We point out theoretically and verify numerically that the correlation functions at T/Tc > 1 exhibit the characteristics of the conformal function with IR cutoff, an exponential decay with power correction. Investigating our numerical data by a new method which we call the "local-analysis" of propagators, we observe that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are similar to each other, while the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are similar to each other. Further, we observe our data are consistent with the picture that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are close to the meson unparticle model. On the other hand, the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are close to

  17. Gauge natural formulation of conformal gravity

    SciTech Connect

    Campigotto, M.; Fatibene, L.

    2015-03-15

    We consider conformal gravity as a gauge natural theory. We study its conservation laws and superpotentials. We also consider the Mannheim and Kazanas spherically symmetric vacuum solution and discuss conserved quantities associated to conformal and diffeomorphism symmetries.

  18. [Conformal radiotherapy of brain tumors].

    PubMed

    Haie-Meder, C; Beaudré, A; Breton, C; Biron, B; Cordova, A; Dubray, B; Mazeron, J J

    1999-01-01

    Conformal irradiation of brain tumours is based on the three-dimensional reconstruction of the targeted volumes and at-risk organ images, the three-dimensional calculation of the dose distribution and a treatment device (immobilisation, beam energy, collimation, etc.) adapted to the high precision required by the procedure. Each step requires an appropriate methodology and a quality insurance program. Specific difficulties in brain tumour management are related to GTV and CTV definition depending upon the histological type, the quality of the surgical resection and the medical team. Clinical studies have reported dose escalation trials, mostly in high-grade gliomas and tumours at the base of the skull. Clinical data are now providing a better knowledge of the tolerance of normal tissues. As for small tumours, the implementation of beam intensity modulation is likely to narrow the gap between conformal and stereotaxic radiotherapy. PMID:10572510

  19. The Conformational Behaviour of Glucosamine

    NASA Astrophysics Data System (ADS)

    Peña, Isabel; Kolesniková, Lucie; Cabezas, Carlos; Bermúdez, Celina; Berdakin, Matías; Simao, Alcides; Alonso, José L.

    2014-06-01

    A laser ablation method has been successfully used to vaporize the bioactive amino monosaccharide D-glucosamine. Three cyclic α-4C1 pyranose forms have been identified using a combination of CP-FTMW and LA-MB-FTMW spectroscopy. Stereoelectronic hyperconjugative factors, like those associated with anomeric or gauche effects, as well as the cooperative OH\\cdotsO, OH\\cdotsN and NH\\cdotsO chains, extended along the entire molecule, are the main factors driving the conformational behavior. All observed conformers exhibit a counter-clockwise arrangement (cc) of the network of intramolecular hydrogen bonds. The results are compared with those recently obtained for D-glucose. J. L. Alonso, M. A. Lozoya, I. Peña, J. C. López, C. Cabezas, S. Mata, S. Blanco, Chem. Sci. 2014, 5, 515.

  20. The conformational cycle of kinesin.

    PubMed Central

    Cross, R A; Crevel, I; Carter, N J; Alonso, M C; Hirose, K; Amos, L A

    2000-01-01

    The stepping mechanism of kinesin can be thought of as a programme of conformational changes. We briefly review protein chemical, electron microscopic and transient kinetic evidence for conformational changes, and working from this evidence, outline a model for the mechanism. In the model, both kinesin heads initially trap Mg x ADP. Microtubule binding releases ADP from one head only (the trailing head). Subsequent ATP binding and hydrolysis by the trailing head progressively accelerate attachment of the leading head, by positioning it closer to its next site. Once attached, the leading head releases its ADP and exerts a sustained pull on the trailing head. The rate of closure of the molecular gate which traps ADP on the trailing head governs its detachment rate. A speculative but crucial coordinating feature is that this rate is strain sensitive, slowing down under negative strain and accelerating under positive strain. PMID:10836499

  1. Holograms of Flat Space

    NASA Astrophysics Data System (ADS)

    Bagchi, Arjun; Grumiller, Daniel

    2013-07-01

    The holographic principle has a concrete realization in the Anti-de Sitter/Conformal Field Theory (AdS/CFT) correspondence. If this principle is a true fact about quantum gravity then it must also hold beyond AdS/CFT. In this paper, we address specifically holographic field theory duals of gravitational theories in asymptotically flat spacetimes. We present some evidence of our recent conjecture that three-dimensional (3d) conformal Chern-Simons gravity (CSG) with flat space boundary conditions is dual to an extremal CFT.

  2. Holographic multiverse and conformal invariance

    SciTech Connect

    Garriga, Jaume; Vilenkin, Alexander E-mail: vilenkin@cosmos.phy.tufts.edu

    2009-11-01

    We consider a holographic description of the inflationary multiverse, according to which the wave function of the universe is interpreted as the generating functional for a lower dimensional Euclidean theory. We analyze a simple model where transitions between inflationary vacua occur through bubble nucleation, and the inflating part of spacetime consists of de Sitter regions separated by thin bubble walls. In this model, we present some evidence that the dual theory is conformally invariant in the UV.

  3. Anomalous dimensions of conformal baryons

    NASA Astrophysics Data System (ADS)

    Pica, Claudio; Sannino, Francesco

    2016-10-01

    We determine the anomalous dimensions of baryon operators for the three-color theory as functions of the number of massless flavors within the conformal window to the maximum known order in perturbation theory. We show that the anomalous dimension of the baryon is controllably small, within the δ expansion, for a wide range of number of flavors. We also find that this is always smaller than the anomalous dimension of the fermion mass operator. These findings challenge the partial compositeness paradigm.

  4. Stabilizing the boat conformation of cyclohexane rings

    SciTech Connect

    Dasgupta, S.; Goddard, W.A. III; Moldowan, J.M.; Carlson, R.M.K.; Goddard, W.A. III.

    1995-06-21

    In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3-2.5 kcal/mol) for the D cyclohexane ring. We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems. 5 refs., 3 figs., 2 tabs.

  5. Conformal Invariance of Graphene Sheets.

    PubMed

    Giordanelli, I; Posé, N; Mendoza, M; Herrmann, H J

    2016-03-10

    Suspended graphene sheets exhibit correlated random deformations that can be studied under the framework of rough surfaces with a Hurst (roughness) exponent 0.72 ± 0.01. Here, we show that, independent of the temperature, the iso-height lines at the percolation threshold have a well-defined fractal dimension and are conformally invariant, sharing the same statistical properties as Schramm-Loewner evolution (SLEκ) curves with κ = 2.24 ± 0.07. Interestingly, iso-height lines of other rough surfaces are not necessarily conformally invariant even if they have the same Hurst exponent, e.g. random Gaussian surfaces. We have found that the distribution of the modulus of the Fourier coefficients plays an important role on this property. Our results not only introduce a new universality class and place the study of suspended graphene membranes within the theory of critical phenomena, but also provide hints on the long-standing question about the origin of conformal invariance in iso-height lines of rough surfaces.

  6. Limit cycles and conformal invariance

    NASA Astrophysics Data System (ADS)

    Fortin, Jean-François; Grinstein, Benjamín; Stergiou, Andreas

    2013-01-01

    There is a widely held belief that conformal field theories (CFTs) require zero beta functions. Nevertheless, the work of Jack and Osborn implies that the beta functions are not actually the quantites that decide conformality, but until recently no such behavior had been exhibited. Our recent work has led to the discovery of CFTs with nonzero beta functions, more precisely CFTs that live on recurrent trajectories, e.g., limit cycles, of the beta-function vector field. To demonstrate this we study the S function of Jack and Osborn. We use Weyl consistency conditions to show that it vanishes at fixed points and agrees with the generator Q of limit cycles on them. Moreover, we compute S to third order in perturbation theory, and explicitly verify that it agrees with our previous determinations of Q. A byproduct of our analysis is that, in perturbation theory, unitarity and scale invariance imply conformal invariance in four-dimensional quantum field theories. Finally, we study some properties of these new, "cyclic" CFTs, and point out that the a-theorem still governs the asymptotic behavior of renormalization-group flows.

  7. The Conformational Landscape of Serinol

    NASA Astrophysics Data System (ADS)

    Sanz, M. Eugenia; Loru, Donatella; Peña, Isabel; Alonso, José L.

    2014-06-01

    The rotational spectrum of the amino alcohol serinol CH_2OH--CH(NH_2)--CH_2OH, which constitutes the hydrophilic head of the lipid sphingosine, has been investigated using chirped-pulsed Fourier transform microwave spectroscopy in combination with laser ablation Five different forms of serinol have been observed and conclusively identified by the comparison between the experimental values of their rotational and 14N quadrupole coupling constants and those predicted by ab initio calculations. In all observed conformers several hydrogen bonds are established between the two hydroxyl groups and the amino groups in a chain or circular arrangement. The most abundant conformer is stabilised by O--H···N and N--H···O hydrogen bonds forming a chain rather than a cycle. One of the detected conformers presents a tunnelling motion of the hydrogen atoms of the functional groups similar to that observed in glycerol. S. Mata, I. Peña, C. Cabezas, J. C. López, J. L. Alonso, J. Mol. Spectrosc. 2012, 280, 91 V. V. Ilyushin, R. A. Motiyenko, F. J. Lovas, D. F. Plusquellic, J. Mol. Spectrosc. 2008, 251, 129.

  8. Electrophysiological precursors of social conformity.

    PubMed

    Shestakova, Anna; Rieskamp, Jörg; Tugin, Sergey; Ossadtchi, Alexey; Krutitskaya, Janina; Klucharev, Vasily

    2013-10-01

    Humans often change their beliefs or behavior due to the behavior or opinions of others. This study explored, with the use of human event-related potentials (ERPs), whether social conformity is based on a general performance-monitoring mechanism. We tested the hypothesis that conflicts with a normative group opinion evoke a feedback-related negativity (FRN) often associated with performance monitoring and subsequent adjustment of behavior. The experimental results show that individual judgments of facial attractiveness were adjusted in line with a normative group opinion. A mismatch between individual and group opinions triggered a frontocentral negative deflection with the maximum at 200 ms, similar to FRN. Overall, a conflict with a normative group opinion triggered a cascade of neuronal responses: from an earlier FRN response reflecting a conflict with the normative opinion to a later ERP component (peaking at 380 ms) reflecting a conforming behavioral adjustment. These results add to the growing literature on neuronal mechanisms of social influence by disentangling the conflict-monitoring signal in response to the perceived violation of social norms and the neural signal of a conforming behavioral adjustment.

  9. Conformal Invariance of Graphene Sheets

    PubMed Central

    Giordanelli, I.; Posé, N.; Mendoza, M.; Herrmann, H. J.

    2016-01-01

    Suspended graphene sheets exhibit correlated random deformations that can be studied under the framework of rough surfaces with a Hurst (roughness) exponent 0.72 ± 0.01. Here, we show that, independent of the temperature, the iso-height lines at the percolation threshold have a well-defined fractal dimension and are conformally invariant, sharing the same statistical properties as Schramm-Loewner evolution (SLEκ) curves with κ = 2.24 ± 0.07. Interestingly, iso-height lines of other rough surfaces are not necessarily conformally invariant even if they have the same Hurst exponent, e.g. random Gaussian surfaces. We have found that the distribution of the modulus of the Fourier coefficients plays an important role on this property. Our results not only introduce a new universality class and place the study of suspended graphene membranes within the theory of critical phenomena, but also provide hints on the long-standing question about the origin of conformal invariance in iso-height lines of rough surfaces. PMID:26961723

  10. Electrophysiological precursors of social conformity.

    PubMed

    Shestakova, Anna; Rieskamp, Jörg; Tugin, Sergey; Ossadtchi, Alexey; Krutitskaya, Janina; Klucharev, Vasily

    2013-10-01

    Humans often change their beliefs or behavior due to the behavior or opinions of others. This study explored, with the use of human event-related potentials (ERPs), whether social conformity is based on a general performance-monitoring mechanism. We tested the hypothesis that conflicts with a normative group opinion evoke a feedback-related negativity (FRN) often associated with performance monitoring and subsequent adjustment of behavior. The experimental results show that individual judgments of facial attractiveness were adjusted in line with a normative group opinion. A mismatch between individual and group opinions triggered a frontocentral negative deflection with the maximum at 200 ms, similar to FRN. Overall, a conflict with a normative group opinion triggered a cascade of neuronal responses: from an earlier FRN response reflecting a conflict with the normative opinion to a later ERP component (peaking at 380 ms) reflecting a conforming behavioral adjustment. These results add to the growing literature on neuronal mechanisms of social influence by disentangling the conflict-monitoring signal in response to the perceived violation of social norms and the neural signal of a conforming behavioral adjustment. PMID:22683703

  11. Physical studies of conformational plasticity in a recombinant prion protein.

    PubMed

    Zhang, H; Stockel, J; Mehlhorn, I; Groth, D; Baldwin, M A; Prusiner, S B; James, T L; Cohen, F E

    1997-03-25

    PrP(Sc) is known to be the major, if not the only, component of the infectious prion. Limited proteolysis of PrP(Sc) produces an N-terminally truncated polypeptide of about 142 residues, designated PrP 27-30. Recently, a recombinant protein (rPrP) of 142 residues corresponding to the Syrian hamster PrP 27-30 was expressed in Escherichia coli and purified (Mehlhorn et al., 1996). rPrP has been refolded into both alpha-helical and beta-sheet structures as well as various intermediates in aqueous buffers. The beta-sheet state and two pH-dependent alpha-helical states were characterized by CD and NMR. The alpha-helical conformation occurred only after the formation of an intramolecular disulfide bond, whereas the beta-sheet form was accessible either with or without the disulfide. Of the different alpha-helical forms studied, only those refolded in the pH range 5-8 were substantially soluble at physiological pH, exhibiting similar conformations and monomeric analytical sedimentation profiles throughout the above pH range. Furthermore, refolded alpha-rPrP showed NMR chemical shift dispersion typical of proteins with native conformations, although 2D NMR indicated large segments of conformational flexibility. It displayed a cooperative thermal denaturation transition; at elevated temperatures, it converted rapidly and irreversibly to the thermodynamically more stable beta-sheet form. Unfolding of alpha-rPrP by GdnHCl revealed a two-phase transition with a relatively stable folding intermediate at 2 M GdnHCl. The deltaG values were estimated to be 1.9 +/- 0.4 kcal/mol for the first phase and 6.5 +/- 1.2 kcal/mol for the second, consistent with a folding core surrounded by significant segments of flexible conformation. By NMR, alpha-rPrP(acid) isolated at pH 2 without refolding exhibited heterogeneous line widths, consistent with an acid-denatured molten globular state. We conclude that to the extent that rPrP constitutes a relevant folding domain of PrP(C), the various

  12. On the cohomology of Leibniz conformal algebras

    NASA Astrophysics Data System (ADS)

    Zhang, Jiao

    2015-04-01

    We construct a new cohomology complex of Leibniz conformal algebras with coefficients in a representation instead of a module. The low-dimensional cohomology groups of this complex are computed. Meanwhile, we construct a Leibniz algebra from a Leibniz conformal algebra and prove that the category of Leibniz conformal algebras is equivalent to the category of equivalence classes of formal distribution Leibniz algebras.

  13. Flexible ligand docking using conformational ensembles.

    PubMed Central

    Lorber, D. M.; Shoichet, B. K.

    1998-01-01

    Molecular docking algorithms suggest possible structures for molecular complexes. They are used to model biological function and to discover potential ligands. A present challenge for docking algorithms is the treatment of molecular flexibility. Here, the rigid body program, DOCK, is modified to allow it to rapidly fit multiple conformations of ligands. Conformations of a given molecule are pre-calculated in the same frame of reference, so that each conformer shares a common rigid fragment with all other conformations. The ligand conformers are then docked together, as an ensemble, into a receptor binding site. This takes advantage of the redundancy present in differing conformers of the same molecule. The algorithm was tested using three organic ligand protein systems and two protein-protein systems. Both the bound and unbound conformations of the receptors were used. The ligand ensemble method found conformations that resembled those determined in X-ray crystal structures (RMS values typically less than 1.5 A). To test the method's usefulness for inhibitor discovery, multi-compound and multi-conformer databases were screened for compounds known to bind to dihydrofolate reductase and compounds known to bind to thymidylate synthase. In both cases, known inhibitors and substrates were identified in conformations resembling those observed experimentally. The ligand ensemble method was 100-fold faster than docking a single conformation at a time and was able to screen a database of over 34 million conformations from 117,000 molecules in one to four CPU days on a workstation. PMID:9568900

  14. 40 CFR 52.799 - Transportation conformity.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 3 2014-07-01 2014-07-01 false Transportation conformity. 52.799... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Indiana § 52.799 Transportation conformity. On June 4, 2010, Indiana submitted the Transportation Conformity Consultation SIP consisting...

  15. 40 CFR 52.799 - Transportation conformity.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 3 2012-07-01 2012-07-01 false Transportation conformity. 52.799... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Indiana § 52.799 Transportation conformity. On June 4, 2010, Indiana submitted the Transportation Conformity Consultation SIP consisting...

  16. 40 CFR 52.799 - Transportation conformity.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 3 2013-07-01 2013-07-01 false Transportation conformity. 52.799... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Indiana § 52.799 Transportation conformity. On June 4, 2010, Indiana submitted the Transportation Conformity Consultation SIP consisting...

  17. 40 CFR 52.799 - Transportation conformity.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 3 2011-07-01 2011-07-01 false Transportation conformity. 52.799... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Indiana § 52.799 Transportation conformity. On June 4, 2010, Indiana submitted the Transportation Conformity Consultation SIP consisting...

  18. 40 CFR 51.854 - Conformity analysis.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 2 2010-07-01 2010-07-01 false Conformity analysis. 51.854 Section 51... FOR PREPARATION, ADOPTION, AND SUBMITTAL OF IMPLEMENTATION PLANS Determining Conformity of General Federal Actions to State or Federal Implementation Plans § 51.854 Conformity analysis. Link to...

  19. A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States

    PubMed Central

    Kufareva, Irina; Pascual, Jaime; Zhang, Qinghai; Stout, C. David; Halpert, James R.

    2013-01-01

    An X-ray crystal structure of CYP2B4 in complex with the drug paroxetine [(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] was solved at 2.14 Å resolution. The structure revealed a conformation intermediate to that of the recently solved complex with amlodipine and that of the more compact complex with 4-(4-chlorophenyl)imidazole in terms of the placement of the F-G cassette. Moreover, comparison of the new structure with 15 previously solved structures of CYP2B4 revealed some new insights into the determinants of active-site size and shape. The 2B4-paroxetine structure is nearly superimposable on a previously solved closed structure in a ligand-free state. Despite the overall conformational similarity among multiple closed structures, the active-site cavity volume of the paroxetine complex is enlarged. Further analysis of the accessible space and binding pocket near the heme reveals a new subchamber that resulted from the movement of secondary structural elements and rearrangements of active-site side chains. Overall, the results from the comparison of all 16 structures of CYP2B4 demonstrate a cluster of protein conformations that were observed in the presence or absence of various ligands. PMID:23633618

  20. Conformal, Transparent Printed Antenna Developed for Communication and Navigation Systems

    NASA Technical Reports Server (NTRS)

    Lee, Richard Q.; Simons, Rainee N.

    1999-01-01

    Conformal, transparent printed antennas have advantages over conventional antennas in terms of space reuse and aesthetics. Because of their compactness and thin profile, these antennas can be mounted on video displays for efficient integration in communication systems such as palmtop computers, digital telephones, and flat-panel television displays. As an array of multiple elements, the antenna subsystem may save weight by reusing space (via vertical stacking) on photovoltaic arrays or on Earth-facing sensors. Also, the antenna could go unnoticed on automobile windshields or building windows, enabling satellite uplinks and downlinks or other emerging high-frequency communications.

  1. 14 CFR 420.53 - Control of public access.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Control of public access. 420.53 Section....53 Control of public access. (a) A licensee shall prevent unauthorized access to the launch site, and unauthorized, unescorted access to explosive hazard facilities or other hazard areas not otherwise...

  2. DOD Space Test Program (STP)

    NASA Technical Reports Server (NTRS)

    Smith, Llwyn

    1995-01-01

    This paper describes the Space Test Program (STP) which provides access to space for the DOD-wide space research and development (R&D) community. STP matches a ranked list of sanctioned experiments with available budgets and searches for the most cost effective mechanisms to get the experiments into space. The program has successfully flown over 350 experiments, using dedicated freeflyer spacecraft, secondary space on the Space Shuttle, and various host satellites.

  3. Accessibility: Maximum Mobility and Function.

    ERIC Educational Resources Information Center

    Smyser, Michael

    2003-01-01

    Describes how to design school and university labs to comply with Americans with Disabilities Act (ADA) standards, focusing on counter height for students in wheelchairs; appropriate knee space and sink height in sink areas; ADA-compliant fume hoods; accessible laboratory doors and entryways; and safety concerns (e.g., emergency eyewash stations…

  4. Conformal flatness, non-Abelian Kaluza-Klein reduction and quaternions

    NASA Astrophysics Data System (ADS)

    Maraner, Paolo; Pachos, Jiannis K.

    2012-02-01

    The non-Abelian Kaluza-Klein reduction of conformally flat spaces is considered for arbitrary dimensions and signatures. The corresponding equations are particularly elegant when the internal space supports a global Killing parallelization. Assuming this imposes the generalized 'spacetime' to be maximally symmetric with holonomy in the unitary quaternionic group Sp(d/4). Recalling an analogous result for the complex case, we conclude that all special manifolds with constant properly 'holonomy-related' sectional curvature, are in natural correspondence with conformally flat, possibly non-Abelian, Kaluza-Klein spaces.

  5. Backbone dependency further improves side chain prediction efficiency in the Energy-based Conformer Library (bEBL).

    PubMed

    Subramaniam, Sabareesh; Senes, Alessandro

    2014-11-01

    Side chain optimization is an integral component of many protein modeling applications. In these applications, the conformational freedom of the side chains is often explored using libraries of discrete, frequently occurring conformations. Because side chain optimization can pose a computationally intensive combinatorial problem, the nature of these conformer libraries is important for ensuring efficiency and accuracy in side chain prediction. We have previously developed an innovative method to create a conformer library with enhanced performance. The Energy-based Library (EBL) was obtained by analyzing the energetic interactions between conformers and a large number of natural protein environments from crystal structures. This process guided the selection of conformers with the highest propensity to fit into spaces that should accommodate a side chain. Because the method requires a large crystallographic data-set, the EBL was created in a backbone-independent fashion. However, it is well established that side chain conformation is strongly dependent on the local backbone geometry, and that backbone-dependent libraries are more efficient in side chain optimization. Here we present the backbone-dependent EBL (bEBL), whose conformers are independently sorted for each populated region of Ramachandran space. The resulting library closely mirrors the local backbone-dependent distribution of side chain conformation. Compared to the EBL, we demonstrate that the bEBL uses fewer conformers to produce similar side chain prediction outcomes, thus further improving performance with respect to the already efficient backbone-independent version of the library.

  6. Conformally invariant 'massless' spin-2 field in the de Sitter universe

    SciTech Connect

    Dehghani, M.; Rouhani, S.; Takook, M. V.; Tanhayi, M. R.

    2008-03-15

    A massless spin-2 field equation in de Sitter space, which is invariant under the conformal transformation, has been obtained. The framework utilized is the symmetric rank-2 tensor field of the conformal group. Our method is based on the group theoretical approach and six-cone formalism, initially introduced by Dirac. Dirac's six-cone is used to obtain conformally invariant equations on de Sitter space. The solution of the physical sector of massless spin-2 field (linear gravity) in de Sitter ambient space is written as a product of a generalized polarization tensor and a massless minimally coupled scalar field. Similar to the minimally coupled scalar field, for quantization of this sector, the Krein space quantization is utilized. We have calculated the physical part of the linear graviton two-point function. This two-point function is de Sitter invariant and free of pathological large-distance behavior.

  7. Utilizing a Russian space nuclear reactor for a United States space mission: Systems integration issues

    SciTech Connect

    Reynolds, E.; Schaefer, E.; Polansky, G.; Lacy, J.; Bocharov, A.

    1993-09-30

    The Nuclear Electric Propulsion Space Test Program (NEPSTP) has developed a cooperative relationship with several institutes of the former Soviet Union to evaluate Russian space hardware on a US spacecraft One component is the Topaz II Nuclear Power System; a built and flight qualified nuclear reactor that has yet to be tested in space. The access to the Topaz II reactor provides the NEPSTP with a rare opportunity; to conduct an early flight demonstration of nuclear electric propulsion at a relatively low cost. This opportunity, however, is not without challenges. Topaz II was designed to be compatible with Russian spacecraft and launch vehicles. It was manufactured and flight qualified by Russian techniques and standards and conforms to safety requirements of the former Soviet Union, not the United States. As it is desired to make minimal modifications to the Topaz II, integrating the reactor system with a United States spacecraft and launch vehicle presents an engineering challenge. This paper documents the lessons teamed regarding the integration of reactor based spacecraft and also some insight about integrating Russian hardware. It examines the planned integration flow along with specific reactor requirements that affect the spacecraft integration including American-Russian space system compatibility.

  8. Conformational changes in dopamine transporter intracellular regions upon cocaine binding and dopamine translocation

    PubMed Central

    Dehnes, Yvette; Shan, Jufang; Beuming, Thijs; Shi, Lei; Weinstein, Harel; Javitch, Jonathan A.

    2014-01-01

    The dopamine transporter (DAT), a member of the neurotransmitter:sodium symporter family, mediates the reuptake of dopamine at the synaptic cleft. DAT is the primary target for psychostimulants such as cocaine and amphetamine. We previously demonstrated that cocaine binding and dopamine transport alter the accessibility of Cys342 in the third intracellular loop (IL3). To study the conformational changes associated with the functional mechanism of the transporter, we made cysteine substitution mutants, one at a time, from Phe332 to Ser351 in IL3 of the background DAT construct, X7C, in which 7 endogenous cysteines were mutated. The accessibility of the 20 engineered cysteines to polar charged sulfhydryl reagents was studied in the absence and presence of cocaine or dopamine. Of the 11 positions that reacted with methanethiosulfonate ethyl ammonium, as evidenced by inhibition of ligand binding, 5 were protected against this inhibition by cocaine and dopamine (S333C, S334C, N336C, M342C and T349C), indicating that reagent accessibility is affected by conformational changes associated with inhibitor and substrate binding. In some of the cysteine mutants, transport activity is disrupted, but can be rescued by the presence of zinc, most likely because the distribution between inward- and outward-facing conformations is restored by zinc binding. The experimental data were interpreted in the context of molecular models of DAT in both the inward- and outward-facing conformations. Differences in the solvent accessible surface area for individual IL3 residues calculated for these states correlate well with the experimental accessibility data, and suggest that protection by ligand binding results from the stabilization of the outward-facing configuration. Changes in the residue interaction networks observed from the molecular dynamics simulations also revealed the critical roles of several positions during the conformational transitions. We conclude that the IL3 region of DAT

  9. Six-dimensional methods for four-dimensional conformal field theories

    SciTech Connect

    Weinberg, Steven

    2010-08-15

    The calculation of both spinor and tensor Green's functions in four-dimensional conformally-invariant field theories can be greatly simplified by six-dimensional methods. For this purpose, four-dimensional fields are constructed as projections of fields on the hypercone in six-dimensional projective space, satisfying certain transversality conditions. In this way some Green's functions in conformal field theories are shown to have structures more general than those commonly found by use of the inversion operator. These methods fit in well with the assumption of AdS/CFT duality. In particular, it is transparent that if fields on AdS{sub 5} approach finite limits on the boundary of AdS{sub 5}, then in the conformal field theory on this boundary these limits transform with conformal dimensionality zero if they are tensors (of any rank), but with conformal dimension 1/2 if they are spinors or spinor-tensors.

  10. 14 CFR § 1203a.103 - Access to security areas.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 5 2014-01-01 2014-01-01 false Access to security areas. § 1203a.103 Section § 1203a.103 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA SECURITY AREAS § 1203a.103 Access to security areas. (a) Only those NASA employees, NASA contractor...

  11. 14 CFR 1203a.103 - Access to security areas.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 5 2012-01-01 2012-01-01 false Access to security areas. 1203a.103 Section 1203a.103 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA SECURITY AREAS § 1203a.103 Access to security areas. (a) Only those NASA employees, NASA contractor employees,...

  12. 14 CFR 1203a.103 - Access to security areas.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 5 2011-01-01 2010-01-01 true Access to security areas. 1203a.103 Section 1203a.103 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA SECURITY AREAS § 1203a.103 Access to security areas. (a) Only those NASA employees, NASA contractor employees,...

  13. 14 CFR 1203a.103 - Access to security areas.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 5 2013-01-01 2013-01-01 false Access to security areas. 1203a.103 Section 1203a.103 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA SECURITY AREAS § 1203a.103 Access to security areas. (a) Only those NASA employees, NASA contractor employees,...

  14. 14 CFR 1203a.103 - Access to security areas.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Access to security areas. 1203a.103 Section 1203a.103 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA SECURITY AREAS § 1203a.103 Access to security areas. (a) Only those NASA employees, NASA contractor employees,...

  15. A chemical chaperone induces inhomogeneous conformational changes in flexible proteins.

    PubMed

    Hamdane, Djemel; Velours, Christophe; Cornu, David; Nicaise, Magali; Lombard, Murielle; Fontecave, Marc

    2016-07-27

    Organic osmolytes also known as chemical chaperones are major cellular compounds that favor, by an unclear mechanism, protein's compaction and stabilization of the native state. Here, we have examined the chaperone effect of the naturally occurring trimethylamine N-oxide (TMAO) osmolyte on a loosely packed protein (LPP), known to be a highly flexible form, using an apoprotein mutant of the flavin-dependent RNA methyltransferase as a model. Thermal and chemical denaturation experiments showed that TMAO stabilizes the structural integrity of the apoprotein dramatically. The denaturation reaction is irreversible indicating that the stability of the apoprotein is under kinetic control. This result implies that the stabilization is due to a TMAO-induced reconfiguration of the flexible LPP state, which leads to conformational limitations of the apoprotein likely driven by favorable entropic contribution. Evidence for the conformational perturbation of the apoprotein had been obtained through several biophysical approaches notably analytical ultracentrifugation, circular dichroism, fluorescence spectroscopy, labelling experiments and proteolysis coupled to mass spectrometry. Unexpectedly, TMAO promotes an overall elongation or asymmetrical changes of the hydrodynamic shape of the apoprotein without alteration of the secondary structure. The modulation of the hydrodynamic properties of the protein is associated with diverse inhomogenous conformational changes: loss of the solvent accessible cavities resulting in a dried protein matrix; some side-chain residues initially buried become solvent exposed while some others become hidden. Consequently, the TMAO-induced protein state exhibits impaired capability in the flavin binding process. Our study suggests that the nature of protein conformational changes induced by the chemical chaperones may be specific to protein packing and plasticity. This could be an efficient mechanism by which the cell controls and finely tunes the

  16. Modeling of solvent-dependent conformational transitions in Burkholderia cepacia lipase

    PubMed Central

    Trodler, Peter; Schmid, Rolf D; Pleiss, Jürgen

    2009-01-01

    Background The characteristic of most lipases is the interfacial activation at a lipid interface or in non-polar solvents. Interfacial activation is linked to a large conformational change of a lid, from a closed to an open conformation which makes the active site accessible for substrates. While for many lipases crystal structures of the closed and open conformation have been determined, the pathway of the conformational transition and possible bottlenecks are unknown. Therefore, molecular dynamics simulations of a closed homology model and an open crystal structure of Burkholderia cepacia lipase in water and toluene were performed to investigate the influence of solvents on structure, dynamics, and the conformational transition of the lid. Results The conformational transition of B. cepacia lipase was dependent on the solvent. In simulations of closed B. cepacia lipase in water no conformational transition was observed, while in three independent simulations of the closed lipase in toluene the lid gradually opened during the first 10–15 ns. The pathway of conformational transition was accessible and a barrier was identified, where a helix prevented the lid from opening to the completely open conformation. The open structure in toluene was stabilized by the formation of hydrogen bonds. In simulations of open lipase in water, the lid closed slowly during 30 ns nearly reaching its position in the closed crystal structure, while a further lid opening compared to the crystal structure was observed in toluene. While the helical structure of the lid was intact during opening in toluene, it partially unfolded upon closing in water. The closing of the lid in water was also observed, when with eight intermediate structures between the closed and the open conformation as derived from the simulations in toluene were taken as starting structures. A hydrophobic β-hairpin was moving away from the lid in all simulations in water, which was not observed in simulations in

  17. DSCOVR Retrospective Science Products and Access

    NASA Astrophysics Data System (ADS)

    Rowland, W. F.; Codrescu, S. M.; Tilton, M.; Redmon, R. J.; Loto'aniu, P. T. M.; Cartwright, J.; Mccullough, H.; Denig, W. F.

    2015-12-01

    NOAA's Deep Space Climate Observatory (DSCOVR) will provide essential next-generation solar wind measurements from L1 to space-weather forecasters, modelers, and the science community in general. Parameters available include bulk flow speed, velocities, number density, and vector magnetic field. The NCEI Solar Geophysics Branch is responsible for long-term archive and user-access of the products created by the Space Weather Prediction Center (SWPC), as well as creation of and access to a set of additional products based on the archived data. We discuss the data available to retrospective users and some of the new capabilities that we have developed to allow improved search and access for our science community. Feedback concerning additional products or access features that would be of interest to the user base will also be solicited. The NCEI DSCOVR access page can be located at http://www.ngdc.noaa.gov/dscovr/

  18. Prediction of conformationally dependent atomic multipole moments in carbohydrates

    PubMed Central

    Cardamone, Salvatore

    2015-01-01

    The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an “atom in a molecule,” thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol−1 for open chains and just over 90% an error of maximum 4 kJ mol−1 for rings. © 2015 Wiley Periodicals, Inc. PMID:26547500

  19. Exploring the structure and conformational landscape of human leptin. A molecular dynamics approach.

    PubMed

    Chimal-Vega, Brenda; Paniagua-Castro, Norma; Carrillo Vazquez, Jonathan; Rosas-Trigueros, Jorge L; Zamorano-Carrillo, Absalom; Benítez-Cardoza, Claudia G

    2015-11-21

    Leptin is a hormone that regulates energy homeostasis, inflammation, hematopoiesis and immune response, among other functions (Houseknecht et al., 1998; Zhang et al., 1995; Paz-Filho et al., 2010). To obtain its crystallographic structure, it was necessary to substitute a tryptophan for a glutamic acid at position 100, thus creating a mutant leptin that has been reported to have biological activity comparable to the activity of the wild type but that crystallizes more readily. Here, we report a comparative study of the conformational space of WT and W100E leptin using molecular dynamics simulations performed at 300, 400, and 500 K. We detected differences between the interactions of the two proteins with local and distal effects, resulting in changes in the conformation, accessible surface area, compactness, electrostatic potential and dynamic behavior. Additionally, the series of unfolding events that occur when leptin is subjected to high temperature differs for the two constructs. We observed that both proteins are mostly unstructured after 20 ns of MD simulation at 500 K. However, WT leptin maintains a significant amount of secondary structure in helix α2, while the most stable region of W100E leptin is helix α3. Furthermore, we found that the region between residues 25 and 42 might adopt interconverting secondary structures ranging from α-helices and random coils to β-strand structures. Thus, this region can be considered an intrinsically disordered region. This atomistic description supports our understanding of leptin signaling and consequently might facilitate the use of leptin in treatments for the pathophysiologies in which it is implicated.

  20. Study of Conformal Invariance in Kaluza-Klein Cosmology

    NASA Astrophysics Data System (ADS)

    Aslhashemy, B. Ali

    2007-08-01

    One of the most important cases that always has been in attention by the physicists is to find a comprehensive theory that singly formulates the natural four interactions. In this direction, the Kaluza-Klein theory was the first theory that could unify gravity and electromagnetism. This theory is obtained by extension of four dimensional Albert Einstein's general relativity to a five dimensional manifold. Theodor Kaluza pointed out that if general relativity theory is extended to a five-dimensional space-time, the equations can be separated out into ordinary four-dimensional gravitation and an extra set of equations which is equivalent to Maxwell's equations for the electromagnetic field, plus an extra field known as the dilation. But, the purely geometrical Kaluza-Klein theory is inconsistent. It leads to an action unbounded from below and thus is unstable. This can be solved by adding an extra real scalar field using the conformal transformation. In this review, besides studying Kaluza-Klein theory, we investigate the conformal transformation and conformal invariance about cosmological consequents of Kaluza-Klein theory and conclude when the five dimensions Kaluza-Klein theory reduces to a four dimensional manifold, a conformal transformation is necessary until the Einstein's equations are obtained.