Systematic approach to developing empirical interatomic potentials for III-N semiconductors

NASA Astrophysics Data System (ADS)

Ito, Tomonori; Akiyama, Toru; Nakamura, Kohji

2016-05-01

A systematic approach to the derivation of empirical interatomic potentials is developed for III-N semiconductors with the aid of ab initio calculations. The parameter values of empirical potential based on bond order potential are determined by reproducing the cohesive energy differences among 3-fold coordinated hexagonal, 4-fold coordinated zinc blende, wurtzite, and 6-fold coordinated rocksalt structures in BN, AlN, GaN, and InN. The bond order p is successfully introduced as a function of the coordination number Z in the form of p = a exp(-bZn ) if Z ≤ 4 and p = (4/Z)α if Z ≥ 4 in empirical interatomic potential. Moreover, the energy difference between wurtzite and zinc blende structures can be successfully evaluated by considering interaction beyond the second-nearest neighbors as a function of ionicity. This approach is feasible for developing empirical interatomic potentials applicable to a system consisting of poorly coordinated atoms at surfaces and interfaces including nanostructures.

Toll-Like Receptor 4 Deficiency Impairs Motor Coordination

PubMed Central

Zhu, Jian-Wei; Li, Yi-Fei; Wang, Zhao-Tao; Jia, Wei-Qiang; Xu, Ru-Xiang

2016-01-01

The cerebellum plays an essential role in balance and motor coordination. Purkinje cells (PCs) are the sole output neurons of the cerebellar cortex and are critical for the execution of its functions, including motor coordination. Toll-like receptor (TLR) 4 is involved in the innate immune response and is abundantly expressed in the central nervous system; however, little is known about its role in cerebellum-related motor functions. To address this question, we evaluated motor behavior in TLR4 deficient mice. We found that TLR4−∕− mice showed impaired motor coordination. Morphological analyses revealed that TLR4 deficiency was associated with a reduction in the thickness of the molecular layer of the cerebellum. TLR4 was highly expressed in PCs but not in Bergmann glia or cerebellar granule cells; however, loss of TLR4 decreased the number of PCs. These findings suggest a novel role for TLR4 in cerebellum-related motor coordination through maintenance of the PC population. PMID:26909014

Hydration of copper(II): new insights from density functional theory and the COSMO solvation model.

PubMed

Bryantsev, Vyacheslav S; Diallo, Mamadou S; van Duin, Adri C T; Goddard, William A

2008-09-25

The hydrated structure of the Cu(II) ion has been a subject of ongoing debate in the literature. In this article, we use density functional theory (B3LYP) and the COSMO continuum solvent model to characterize the structure and stability of [Cu(H2O)n](2+) clusters as a function of coordination number (4, 5, and 6) and cluster size (n = 4-18). We find that the most thermodynamically favored Cu(II) complexes in the gas phase have a very open four-coordinate structure. They are formed from a stable square-planar [Cu(H2O)8](2+) core stabilized by an unpaired electron in the Cu(II) ion d(x(2)-y(2)) orbital. This is consistent with cluster geometries suggested by recent mass-spectrometric experiments. In the aqueous phase, we find that the more compact five-coordinate square-pyramidal geometry is more stable than either the four-coordinate or six-coordinate clusters in agreement with recent combined EXAFS and XANES studies of aqueous solutions of Cu(II). However, a small energetic difference (approximately 1.4 kcal/mol) between the five- and six-coordinate models with two full hydration shells around the metal ion suggests that both forms may coexist in solution.

Distributed sensor coordination for advanced energy systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tumer, Kagan

Motivation: The ability to collect key system level information is critical to the safe, efficient and reliable operation of advanced power systems. Recent advances in sensor technology have enabled some level of decision making directly at the sensor level. However, coordinating large numbers of sensors, particularly heterogeneous sensors, to achieve system level objectives such as predicting plant efficiency, reducing downtime or predicting outages requires sophisticated coordination algorithms. Indeed, a critical issue in such systems is how to ensure the interaction of a large number of heterogenous system components do not interfere with one another and lead to undesirable behavior. Objectivesmore » and Contributions: The long-term objective of this work is to provide sensor deployment, coordination and networking algorithms for large numbers of sensors to ensure the safe, reliable, and robust operation of advanced energy systems. Our two specific objectives are to: 1. Derive sensor performance metrics for heterogeneous sensor networks. 2. Demonstrate effectiveness, scalability and reconfigurability of heterogeneous sensor network in advanced power systems. The key technical contribution of this work is to push the coordination step to the design of the objective functions of the sensors, allowing networks of heterogeneous sensors to be controlled. By ensuring that the control and coordination is not specific to particular sensor hardware, this approach enables the design and operation of large heterogeneous sensor networks. In addition to the coordination coordination mechanism, this approach allows the system to be reconfigured in response to changing needs (e.g., sudden external events requiring new responses) or changing sensor network characteristics (e.g., sudden changes to plant condition). Impact: The impact of this work extends to a large class of problems relevant to the National Energy Technology Laboratory including sensor placement, heterogeneous sensor coordination, and sensor network control in advanced power systems. Each application has specific needs, but they all share the one crucial underlying problem: how to ensure that the interactions of a large number of heterogenous agents lead to coordinated system behavior. This proposal describes a new paradigm that addresses that very issue in a systematic way. Key Results and Findings: All milestones have been completed. Our results demonstrate that by properly shaping agent objective functions, we can develop large (up to 10,000 devices) heterogeneous sensor networks with key desirable properties. The first milestone shows that properly choosing agent-specific objective functions increases system performance by up to 99.9% compared to global evaluations. The second milestone shows evolutionary algorithms learn excellent sensor network coordination policies prior to network deployment, and these policies can be refined online once the network is deployed. The third milestone shows the resulting sensor networks networks are extremely robust to sensor noise, where networks with up to 25% sensor noise are capable of providing measurements with errors on the order of 10⁻³. The fourth milestone shows the resulting sensor networks are extremely robust to sensor failure, with 25% of the sensors in the system failing resulting in no significant performance losses after system reconfiguration.« less

Calcium environment in silicate and aluminosilicate glasses probed by ⁴³Ca MQMAS NMR experiments and MD-GIPAW calculations.

PubMed

Gambuzzi, Elisa; Pedone, Alfonso; Menziani, Maria Cristina; Angeli, Frédéric; Florian, Pierre; Charpentier, Thibault

2015-01-01

⁴³Ca MQMAS NMR spectra of three silica-based glasses in which Ca²⁺ ions play different structural roles have been collected and processed in order to extract the underlying NMR parameter distributions. The NMR parameters have been interpreted with the help of molecular dynamics simulations and DFT-GIPAW calculations. This synergetic experimental-computational approach has allowed us to investigate the Ca environment, to estimate Ca coordination numbers from MD-derived models, and to push further the discussion about ⁴³Ca NMR sensitivity to the first and second coordination spheres: ⁴³Ca δiso and Ca-O distance can be successfully correlated as a function of Ca coordination number. Copyright © 2015 Elsevier Inc. All rights reserved.

Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach

NASA Astrophysics Data System (ADS)

Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove

2018-02-01

We present an approach to treat sets of general fit-basis functions in a single uniform framework, where the functional form is supplied on input, i.e., the use of different functions does not require new code to be written. The fit-basis functions can be used to carry out linear fits to the grid of single points, which are generated with an adaptive density-guided approach (ADGA). A non-linear conjugate gradient method is used to optimize non-linear parameters if such are present in the fit-basis functions. This means that a set of fit-basis functions with the same inherent shape as the potential cuts can be requested and no other choices with regards to the fit-basis functions need to be taken. The general fit-basis framework is explored in relation to anharmonic potentials for model systems, diatomic molecules, water, and imidazole. The behaviour and performance of Morse and double-well fit-basis functions are compared to that of polynomial fit-basis functions for unsymmetrical single-minimum and symmetrical double-well potentials. Furthermore, calculations for water and imidazole were carried out using both normal coordinates and hybrid optimized and localized coordinates (HOLCs). Our results suggest that choosing a suitable set of fit-basis functions can improve the stability of the fitting routine and the overall efficiency of potential construction by lowering the number of single point calculations required for the ADGA. It is possible to reduce the number of terms in the potential by choosing the Morse and double-well fit-basis functions. These effects are substantial for normal coordinates but become even more pronounced if HOLCs are used.

National Service Framework for Older People: stroke coordinators.

PubMed

McDonald, Paul S; Mayer, Peter; Dunn, Linda

The National Service Framework (NSF) for Older People aims to develop integrated stroke services with specialized treatment, carer involvement, secondary prevention and rehabilitation. There is an emphasis upon the role of stroke coordinators. The aim of this study was to examine the relationships between stroke coordinators and other agencies involved in stroke care, and to describe stroke coordinators' current roles. Interviews with 11 stroke coordinators across the West Midlands region took place and were evaluated using a grounded theory approach. The roles of stroke coordinators and the perceived levels of integration among stroke services varied between localities. In a few areas, a number of 'adhesive' factors helped bond the coordinator role to successful integration, while in most areas the absence of all or some of these factors made the role less effective. To meet the demands of the NSF, a stroke coordinator's role needs to be a high profile, corporate function, requiring a higher level of autonomy, accountability and responsibility, and demanding creativity and innovation from post holders.

Update on the status of rehabilitative countermeasures to ameliorate the effects of long-duration exposure to microgravity on vestibular and sensorimotor function.

PubMed

Cohen, Helen S

2003-01-01

This paper is an overview of current research on development of rehabilitative countermeasures to ameliorate the effects of long-term exposure to microgravity on sensorimotor function during space flight. After many years of work we do not yet have operational countermeasures, probably for several reasons: 1) changes in the use of vestibular input are manifested in many ways, 2) due to multiple mechanisms for funding research, investigators doing related research may not coordinate their work, and 3) relatively few scientists work on this problem. The number of investigators and physicians who routinely deal with the functional problems of astronauts and the limitations of working in the space environment is tiny; the number of investigators who are therapists, and who therefore have experience and expertise in developing rehabilitation programs, is miniscule. That's the bad news. The good news is that as a group, we are little but mighty. Therefore, the entire group of investigators can plan to take a more coordinated, collaborative approach than investigators in larger fields. Also, serendipitously, individual research groups have begun approaching different rehabilitative aspects of this problem. If we make a greater effort toward a coordinated, multidimensional approach, guided by rehabilitation concepts, we will be able to provide operational sensorimotor countermeasures when they are needed.

Missile Defense Information Technology Small Business Conference

DTIC Science & Technology

2009-09-01

NetOps Survivability 4 • Supported User Base • Number of Workstations • Number of Servers • Number of Special Circuits • Number of Sites • Number...Contracts, MDIOC • Ground Test (DTC) • MDSEC (SS) • Infrastructure (IC) • BMDS Support (BCT) • JTAAS – SETA • Mod & Sim ( DES ) • Analysis (GML) • Tenants...AUG 09) 4 MDA DOCE Engineering Functions • Design Engineers – Develop detailed design artifacts based on architectural specifications – Coordinate

76 FR 5178 - Statement of Organization, Functions, and Delegations of Authority

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-28

... and advocacy network to serve eligible beneficiaries of the program; paying benefits and handling... coordinating with a number of public and private entities, including the Department of the Treasury, the Social...

Adam Smith in the Mathematics Classroom

ERIC Educational Resources Information Center

Lipsey, Sally I.

1975-01-01

The author describes a series of current economic ideas and situations which can be used in the mathematics classroom to illustrate the use of signed numbers, the coordinate system, univariate and multivariate functions, linear programing, and variation. (SD)

Coordinating Multi-Rover Systems: Evaluation Functions for Dynamic and Noisy Environments

NASA Technical Reports Server (NTRS)

Turner, Kagan; Agogino, Adrian

2005-01-01

This paper addresses the evolution of control strategies for a collective: a set of entities that collectively strives to maximize a global evaluation function that rates the performance of the full system. Directly addressing such problems by having a population of collectives and applying the evolutionary algorithm to that population is appealing, but the search space is prohibitively large in most cases. Instead, we focus on evolving control policies for each member of the collective. The fundamental issue in this approach is how to create an evaluation function for each member of the collective that is both aligned with the global evaluation function and is sensitive to the fitness changes of the member, while relatively insensitive to the fitness changes of other members. We show how to construct evaluation functions in dynamic, noisy and communication-limited collective environments. On a rover coordination problem, a control policy evolved using aligned and member-sensitive evaluations outperfoms global evaluation methods by up to 400%. More notably, in the presence of a larger number of rovers or rovers with noisy and communication limited sensors, the proposed method outperforms global evaluation by a higher percentage than in noise-free conditions with a small number of rovers.

Payment contracts in a preventive health care system: a perspective from operations management.

PubMed

Yaesoubi, Reza; Roberts, Stephen D

2011-12-01

We consider a health care system consisting of two noncooperative parties: a health purchaser (payer) and a health provider, where the interaction between the two parties is governed by a payment contract. We determine the contracts that coordinate the health purchaser-health provider relationship; i.e. the contracts that maximize the population's welfare while allowing each entity to optimize its own objective function. We show that under certain conditions (1) when the number of customers for a preventive medical intervention is verifiable, there exists a gate-keeping contract and a set of concave piecewise linear contracts that coordinate the system, and (2) when the number of customers is not verifiable, there exists a contract of bounded linear form and a set of incentive-feasible concave piecewise linear contracts that coordinate the system. Copyright © 2011 Elsevier B.V. All rights reserved.

Coordinated gripping of substrate by subunits of a AAA+ proteolytic machine

PubMed Central

Iosefson, Ohad; Nager, Andrew R.; Baker, Tania A.; Sauer, Robert T.

2014-01-01

Hexameric AAA+ unfoldases of ATP-dependent proteases and protein-remodeling machines use conserved loops that line the axial pore to apply force to substrates during the mechanical processes of protein unfolding and translocation. Whether loops from multiple subunits act independently or coordinately in these processes is a critical aspect of mechanism but is currently unknown for any AAA+ machine. By studying covalently linked hexamers of the E. coli ClpX unfoldase bearing different numbers and configurations of wild-type and mutant pore loops, we show that loops function synergistically, with the number of wild-type loops required for efficient degradation depending upon the stability of the protein substrate. Our results support a mechanism in which a power stroke initiated in one subunit of the ClpX hexamer results in the concurrent movement of all six pore loops, which coordinately grip and apply force to the substrate. PMID:25599533

Motor and Executive Control in Repetitive Timing of Brief Intervals

ERIC Educational Resources Information Center

Holm, Linus; Ullen, Fredrik; Madison, Guy

2013-01-01

We investigated the causal role of executive control functions in the production of brief time intervals by means of a concurrent task paradigm. To isolate the influence of executive functions on timing from motor coordination effects, we dissociated executive load from the number of effectors used in the dual task situation. In 3 experiments,…

The Y2K Problem: Will It Just Be Another New Year's Eve?

ERIC Educational Resources Information Center

Iwanowski, Jay

1998-01-01

Potential problems for college and university computing functions posed by arrival of the year 2000 (Y2K) are discussed, including arithmetic calculations and sorting functions based on two-digit year dates, embedding of two-digit dates in archival data, system coordination for data exchange, unique number generation, and leap year calculations. A…

Functionally relevant protein motions: Extracting basin-specific collective coordinates from molecular dynamics trajectories

NASA Astrophysics Data System (ADS)

Pan, Patricia Wang; Dickson, Russell J.; Gordon, Heather L.; Rothstein, Stuart M.; Tanaka, Shigenori

2005-01-01

Functionally relevant motion of proteins has been associated with a number of atoms moving in a concerted fashion along so-called "collective coordinates." We present an approach to extract collective coordinates from conformations obtained from molecular dynamics simulations. The power of this technique for differentiating local structural fuctuations between classes of conformers obtained by clustering is illustrated by analyzing nanosecond-long trajectories for the response regulator protein Spo0F of Bacillus subtilis, generated both in vacuo and using an implicit-solvent representation. Conformational clustering is performed using automated histogram filtering of the inter-Cα distances. Orthogonal (varimax) rotation of the vectors obtained by principal component analysis of these interresidue distances for the members of individual clusters is key to the interpretation of collective coordinates dominating each conformational class. The rotated loadings plots isolate significant variation in interresidue distances, and these are associated with entire mobile secondary structure elements. From this we infer concerted motions of these structural elements. For the Spo0F simulations employing an implicit-solvent representation, collective coordinates obtained in this fashion are consistent with the location of the protein's known active sites and experimentally determined mobile regions.

Solvation of actinide salts in water using a polarizable continuum model.

PubMed

Kumar, Narendra; Seminario, Jorge M

2015-01-29

In order to determine how actinide atoms are dressed when solvated in water, density functional theory calculations have been carried out to study the equilibrium structure of uranium plutonium and thorium salts (UO2(2+), PuO2(2+), Pu(4+), and Th(4+)) both in vacuum as well as in solution represented by a conductor-like polarizable continuum model. This information is of paramount importance for the development of sensitive nanosensors. Both UO2(2+) and PuO2(2+) ions show coordination number of 4-5 with counterions replacing one or two water molecules from the first coordination shell. On the other hand, Pu(4+), has a coordination number of 8 both when completely solvated and also in the presence of chloride and nitrate ions with counterions replacing water molecules in the first shell. Nitrates were found to bind more strongly to Pu(IV) than chloride anions. In the case of the Th(IV) ion, the coordination number was found to be 9 or 10 in the presence of chlorides. Moreover, the Pu(IV) ion shows greater affinity for chlorides than the Th(IV) ion. Adding dispersion and ZPE corrections to the binding energy does not alter the trends in relative stability of several conformers because of error cancelations. All structures and energetics of these complexes are reported.

Geometric transformations of optical orbital angular momentum spatial modes

NASA Astrophysics Data System (ADS)

He, Rui; An, Xin

2018-02-01

With the aid of the bosonic mode conversions in two different coordinate frames, we show that (1) the coordinate eigenstate is exactly the EPR entangled state representation, and (2) the Laguerre-Gaussian (LG) mode is exactly the wave function of the common eigenvector of the orbital angular momentum and the total photon number operator. Moreover, by using the conversion of the bosonic modes, theWigner representation of the LG mode can be obtained directly. It provides an alternative to the method of Simon and Agarwal.

GEAR: genomic enrichment analysis of regional DNA copy number changes.

PubMed

Kim, Tae-Min; Jung, Yu-Chae; Rhyu, Mun-Gan; Jung, Myeong Ho; Chung, Yeun-Jun

2008-02-01

We developed an algorithm named GEAR (genomic enrichment analysis of regional DNA copy number changes) for functional interpretation of genome-wide DNA copy number changes identified by array-based comparative genomic hybridization. GEAR selects two types of chromosomal alterations with potential biological relevance, i.e. recurrent and phenotype-specific alterations. Then it performs functional enrichment analysis using a priori selected functional gene sets to identify primary and clinical genomic signatures. The genomic signatures identified by GEAR represent functionally coordinated genomic changes, which can provide clues on the underlying molecular mechanisms related to the phenotypes of interest. GEAR can help the identification of key molecular functions that are activated or repressed in the tumor genomes leading to the improved understanding on the tumor biology. GEAR software is available with online manual in the website, http://www.systemsbiology.co.kr/GEAR/.

Americium(III) capture using phosphonic acid-functionalized silicas with different mesoporous morphologies: adsorption behavior study and mechanism investigation by EXAFS/XPS.

PubMed

Zhang, Wen; He, Xihong; Ye, Gang; Yi, Rong; Chen, Jing

2014-06-17

Efficient capture of highly toxic radionuclides with long half-lives such as Americium-241 is crucial to prevent radionuclides from diffusing into the biosphere. To reach this purpose, three different types of mesoporous silicas functionalized with phosphonic acid ligands (SBA-POH, MCM-POH, and BPMO-POH) were synthesized via a facile procedure. The structure, surface chemistry, and micromorphology of the materials were fully characterized by (31)P/(13)C/(29)Si MAS NMR, XPS, and XRD analysis. Efficient adsorption of Am(III) was realized with a fast rate to reach equilibrium (within 10 min). Influences including structural parameters and functionalization degree on the adsorption behavior were investigated. Slope analysis of the equilibrium data suggested that the coordination with Am(III) involved the exchange of three protons. Moreover, extended X-ray absorption fine structure (EXAFS) analysis, in combination with XPS survey, was employed for an in-depth probe into the binding mechanism by using Eu(III) as a simulant due to its similar coordination behavior and benign property. The results showed three phosphonic acid ligands were coordinated to Eu(III) in bidentate fashion, and Eu(P(O)O)3(H2O) species were formed with the Eu-O coordination number of 7. These phosphonic acid-functionalized mesoporous silicas should be promising for the treatment of Am-containing radioactive liquid waste.

Force-independent distribution of correlated neural inputs to hand muscles during three-digit grasping.

PubMed

Poston, Brach; Danna-Dos Santos, Alessander; Jesunathadas, Mark; Hamm, Thomas M; Santello, Marco

2010-08-01

The ability to modulate digit forces during grasping relies on the coordination of multiple hand muscles. Because many muscles innervate each digit, the CNS can potentially choose from a large number of muscle coordination patterns to generate a given digit force. Studies of single-digit force production tasks have revealed that the electromyographic (EMG) activity scales uniformly across all muscles as a function of digit force. However, the extent to which this finding applies to the coordination of forces across multiple digits is unknown. We addressed this question by asking subjects (n = 8) to exert isometric forces using a three-digit grip (thumb, index, and middle fingers) that allowed for the quantification of hand muscle coordination within and across digits as a function of grasp force (5, 20, 40, 60, and 80% maximal voluntary force). We recorded EMG from 12 muscles (6 extrinsic and 6 intrinsic) of the three digits. Hand muscle coordination patterns were quantified in the amplitude and frequency domains (EMG-EMG coherence). EMG amplitude scaled uniformly across all hand muscles as a function of grasp force (muscle x force interaction: P = 0.997; cosines of angle between muscle activation pattern vector pairs: 0.897-0.997). Similarly, EMG-EMG coherence was not significantly affected by force (P = 0.324). However, coherence was stronger across extrinsic than that across intrinsic muscle pairs (P = 0.0039). These findings indicate that the distribution of neural drive to multiple hand muscles is force independent and may reflect the anatomical properties or functional roles of hand muscle groups.

[Use of social and health primary care services for older people with complex needs: Comparison of three types of gerontological coordination].

PubMed

de Stampa, M; Bagaragaza, E; Herr, M; Aegerter, P; Vedel, I; Bergman, H; Ankri, J

2014-10-01

Older people with complex needs live mainly at home. Several types of gerontological coordinations have been established on the French territory to meet their needs and to implement social and primary health care services. But we do not have any information on the use of these services at home as a function of the coordination method used. We compared the use of home care services for older people with complex needs in three types of coordination with 12 months' follow-up. The three coordinations regrouped a gerontological network with case management (n=105 persons), a nursing home service (SSIAD) with a nurse coordination (n=206 persons) and an informal coordination with a non-professional caregiver (n=117 persons). At t0, the older people addressed to the gerontological network had less access to the services offered at home; those followed by the SSIAD had the highest number of services and of weekly interventions. Hours of weekly services were two-fold higher in those with the informal coordination. At t12, there was an improvement in access to services for the network group with case management and an overall increase in the use of professional services at home with no significant difference between the three groups. The use of social and primary health care services showed differences between the three gerontological coordinations. The one-year evolution in the use of home services was comparable between the groups without an explosion in the number of services in the network group with case management. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Glass polymorphism in amorphous germanium probed by first-principles computer simulations

NASA Astrophysics Data System (ADS)

Mancini, G.; Celino, M.; Iesari, F.; Di Cicco, A.

2016-01-01

The low-density (LDA) to high-density (HDA) transformation in amorphous Ge at high pressure is studied by first-principles molecular dynamics simulations in the framework of density functional theory. Previous experiments are accurately reproduced, including the presence of a well-defined LDA-HDA transition above 8 GPa. The LDA-HDA density increase is found to be about 14%. Pair and bond-angle distributions are obtained in the 0-16 GPa pressure range and allowed us a detailed analysis of the transition. The local fourfold coordination is transformed in an average HDA sixfold coordination associated with different local geometries as confirmed by coordination number analysis and shape of the bond-angle distributions.

Wigner functions for nonclassical states of a collection of two-level atoms

NASA Technical Reports Server (NTRS)

Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.

1993-01-01

The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.

Tangles of the ideal separatrix from low mn perturbation in the DIII-D

NASA Astrophysics Data System (ADS)

Goss, Talisa; Crank, Willie; Ali, Halima; Punjabi, Alkesh

2010-11-01

The equilibrium EFIT data for the DIII-D shot 115467 at 3000 ms is used to construct the equilibrium generating function for magnetic field line trajectories in the DIII-D tokamak in natural canonical coordinates [A. Punjabi, and H. Ali, Phys. Plasmas 15, 122502 (2008); A. Punjabi, Nucl. Fusion 49, 115020 (2009)]. The generating function represents the axisymmetric magnetic geometry and the topology of the DIII-D shot very accurately. A symplectic map for field line trajectories in the natural canonical coordinates in the DIII-D is constructed. We call this map the DIII-D map. The natural canonical coordinates can be readily inverted to physical coordinates (R,φ,Z). Low mn magnetic perturbation with mode numbers (m,n)=(1,1)+(1,-1) is added to the generating function of the map. The amplitude for the low mn perturbation is chosen to be 6X10-4, which is the expected value of the amplitude in tokamaks. The forward and backward DIII-D maps with low mn perturbation are used to calculate the tangles of the ideal separatrix from low mn perturbation in the DIII-D. This work is supported by US Department of Energy grants DE-FG02-07ER54937, DE-FG02-01ER54624 and DE-FG02-04ER54793.

Compact representation of continuous energy surfaces for more efficient protein design

PubMed Central

Hallen, Mark A.; Gainza, Pablo; Donald, Bruce R.

2015-01-01

In macromolecular design, conformational energies are sensitive to small changes in atom coordinates, so modeling the small, continuous motions of atoms around low-energy wells confers a substantial advantage in structural accuracy; however, modeling these motions comes at the cost of a very large number of energy function calls, which form the bottleneck in the design calculation. In this work, we remove this bottleneck by consolidating all conformational energy evaluations into the precomputation of a local polynomial expansion of the energy about the “ideal” conformation for each low-energy, “rotameric” state of each residue pair. This expansion is called Energy as Polynomials in Internal Coordinates (EPIC), where the internal coordinates can be sidechain dihedrals, backrub angles, and/or any other continuous degrees of freedom of a macromolecule, and any energy function can be used without adding any asymptotic complexity to the design. We demonstrate that EPIC efficiently represents the energy surface for both molecular-mechanics and quantum-mechanical energy functions, and apply it specifically to protein design to model both sidechain and backbone degrees of freedom. PMID:26089744

Synchronization and coordination of sequences in two neural ensembles

NASA Astrophysics Data System (ADS)

Venaille, Antoine; Varona, Pablo; Rabinovich, Mikhail I.

2005-06-01

There are many types of neural networks involved in the sequential motor behavior of animals. For high species, the control and coordination of the network dynamics is a function of the higher levels of the central nervous system, in particular the cerebellum. However, in many cases, especially for invertebrates, such coordination is the result of direct synaptic connections between small circuits. We show here that even the chaotic sequential activity of small model networks can be coordinated by electrotonic synapses connecting one or several pairs of neurons that belong to two different networks. As an example, we analyzed the coordination and synchronization of the sequential activity of two statocyst model networks of the marine mollusk Clione. The statocysts are gravity sensory organs that play a key role in postural control of the animal and the generation of a complex hunting motor program. Each statocyst network was modeled by a small ensemble of neurons with Lotka-Volterra type dynamics and nonsymmetric inhibitory interactions. We studied how two such networks were synchronized by electrical coupling in the presence of an external signal which lead to winnerless competition among the neurons. We found that as a function of the number and the strength of connections between the two networks, it is possible to coordinate and synchronize the sequences that each network generates with its own chaotic dynamics. In spite of the chaoticity, the coordination of the signals is established through an activation sequence lock for those neurons that are active at a particular instant of time.

Proteomic analysis of lung tissue by DIGE

USDA-ARS?s Scientific Manuscript database

Lungs perform an essential physiological function, mediated by a complex series of events that involve the coordination of multiple cell types to support not only gaseous exchange, but homeostasis and protection from infection. Guinea pigs are an important animal disease model for a number of infect...

An interdigit signalling centre instructs coordinate phalanx-joint formation governed by 5′Hoxd–Gli3 antagonism

PubMed Central

Huang, Bau-Lin; Trofka, Anna; Furusawa, Aki; Norrie, Jacqueline L.; Rabinowitz, Adam H.; Vokes, Steven A.; Mark Taketo, M.; Zakany, Jozsef; Mackem, Susan

2016-01-01

The number of phalanges and joints are key features of digit ‘identity' and are central to limb functionality and evolutionary adaptation. Prior chick work indicated that digit phalanges and their associated joints arise in a different manner than the more sparsely jointed long bones, and their identity is regulated by differential signalling from adjacent interdigits. Currently, there is no genetic evidence for this model, and the molecular mechanisms governing digit joint specification remain poorly understood. Using genetic approaches in mouse, here we show that functional 5′Hoxd–Gli3 antagonism acts indirectly, through Bmp signalling from the interdigital mesenchyme, to regulate specification of joint progenitors, which arise in conjunction with phalangeal precursors at the digit tip. Phalanx number, although co-regulated, can be uncoupled from joint specification. We propose that 5′Hoxd genes and Gli3 are part of an interdigital signalling centre that sets net Bmp signalling levels from different interdigits to coordinately regulate phalanx and joint formation. PMID:27713395

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

NASA Astrophysics Data System (ADS)

Yu, Hua-Gen

2016-08-01

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH4 and H2CO are given, together with a comparison with previous results.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Hua-Gen, E-mail: hgy@bnl.gov

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using amore » multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.« less

Quantity, Revisited: An Object-Oriented Reusable Class

NASA Technical Reports Server (NTRS)

Funston, Monica Gayle; Gerstle, Walter; Panthaki, Malcolm

1998-01-01

"Quantity", a prototype implementation of an object-oriented class, was developed for two reasons: to help engineers and scientists manipulate the many types of quantities encountered during routine analysis, and to create a reusable software component to for large domain-specific applications. From being used as a stand-alone application to being incorporated into an existing computational mechanics toolkit, "Quantity" appears to be a useful and powerful object. "Quantity" has been designed to maintain the full engineering meaning of values with respect to units and coordinate systems. A value is a scalar, vector, tensor, or matrix, each of which is composed of Value Components, each of which may be an integer, floating point number, fuzzy number, etc., and its associated physical unit. Operations such as coordinate transformation and arithmetic operations are handled by member functions of "Quantity". The prototype has successfully tested such characteristics as maintaining a numeric value, an associated unit, and an annotation. In this paper we further explore the design of "Quantity", with particular attention to coordinate systems.

High-Reynolds Number Viscous Flow Simulations on Embedded-Boundary Cartesian Grids

DTIC Science & Technology

2016-05-05

d ) 2 χ ≥ 0 −cw1 ( ν̃d ) 2 otherwise (6) 2 DISTRIBUTION A: Distribution approved for public release. with νt = ν̃fv1 and the usual definitions of fw...1 The wall function is coupled to the underlying Cartesian grid through its endpoints. This is illustrated schematically in Fig. 2 . At the wall it is...by interpolation from the Cartesian grid . This eliminates the problem of uτ → 0 , since this works in physical coordinates and not plus coordinates. We

Balancing Multiple Needs through Innovative Facility Design.

ERIC Educational Resources Information Center

Romano, C. Renee; Hanish, Jan

2003-01-01

Designing buildings that incorporate and integrate a number of departments and functions is one way that colleges and universities are balancing financial challenges and facility needs. These buildings can transform the campus, but they require planning and coordination from a carefully assembled design team. (Contains 18 references.) (Author)

Functional Network Architecture of Reading-Related Regions across Development

ERIC Educational Resources Information Center

Vogel, Alecia C.; Church, Jessica A.; Power, Jonathan D.; Miezin, Fran M.; Petersen, Steven E.; Schlaggar, Bradley L.

2013-01-01

Reading requires coordinated neural processing across a large number of brain regions. Studying relationships between reading-related regions informs the specificity of information processing performed in each region. Here, regions of interest were defined from a meta-analysis of reading studies, including a developmental study. Relationships…

Improving the goat long-read assembly with optical mapping

USDA-ARS?s Scientific Manuscript database

Reference genome assemblies provide important context in genetics by standardizing the order of genes and providing a universal set of coordinates for individual nucleotides. Often due to the high complexity of genic regions and higher copy number of genes involved in immune function, immunity-relat...

Relations among several nuclear and electronic density functional reactivity indexes

NASA Astrophysics Data System (ADS)

Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

2003-11-01

An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

Metal-centred azaphosphatriptycene gear with a photo- and thermally driven mechanical switching function based on coordination isomerism.

PubMed

Ube, Hitoshi; Yasuda, Yoshihiro; Sato, Hiroyasu; Shionoya, Mitsuhiko

2017-02-08

Metal ions can serve as a centre of molecular motions due to their coordination geometry, reversible bonding nature and external stimuli responsiveness. Such essential features of metal ions have been utilized for metal-mediated molecular machines with the ability to motion switch via metallation/demetallation or coordination number variation at the metal centre; however, motion switching based on the change in coordination geometry remain largely unexplored. Herein, we report a Pt II -centred molecular gear that demonstrates control of rotor engagement and disengagement based on photo- and thermally driven cis-trans isomerization at the Pt II centre. This molecular rotary motion transmitter has been constructed from two coordinating azaphosphatriptycene rotators and one Pt II ion as a stator. Isomerization between an engaged cis-form and a disengaged trans-form is reversibly driven by ultraviolet irradiation and heating. Such a photo- and thermally triggered motional interconversion between engaged/disengaged states on a metal ion would provide a selector switch for more complex interlocking systems.

Global Information and Mobility Support Coordination Among Humans

NASA Astrophysics Data System (ADS)

Antonioni, Alberto; Sanchez, Angel; Tomassini, Marco

2014-09-01

Coordination among different options is key for a functioning and efficient society. However, often coordination failures arise, resulting in serious problems both at the individual and the societal level. An additional factor intervening in the coordination process is individual mobility, which takes place at all scales in our world, and whose effect on coordination is not well known. In this experimental work we study the behavior of people who play a pure coordination game in a spatial environment in which they can move around and when changing convention is costly. We find that each convention forms homogeneous clusters and is adopted by approximately half of the individuals. When we provide them with global information, i.e., the number of subjects currently adopting one of the conventions, global consensus is reached in most, but not all, cases. Our results allow us to extract the heuristics used by the participants and to build a numerical simulation model that agrees very well with the experiments. Our findings have important implications for policymakers intending to promote specific, desired behaviors in a mobile population.

On functional determinants of matrix differential operators with multiple zero modes

NASA Astrophysics Data System (ADS)

Falco, G. M.; Fedorenko, Andrei A.; Gruzberg, Ilya A.

2017-12-01

We generalize the method of computing functional determinants with a single excluded zero eigenvalue developed by McKane and Tarlie to differential operators with multiple zero eigenvalues. We derive general formulas for such functional determinants of r× r matrix second order differential operators O with 0 < n ≤slant 2r linearly independent zero modes. We separately discuss the cases of the homogeneous Dirichlet boundary conditions, when the number of zero modes cannot exceed r, and the case of twisted boundary conditions, including the periodic and anti-periodic ones, when the number of zero modes is bounded above by 2r. In all cases the determinants with excluded zero eigenvalues can be expressed only in terms of the n zero modes and other r-n or 2r-n (depending on the boundary conditions) solutions of the homogeneous equation O h=0 , in the spirit of Gel’fand-Yaglom approach. In instanton calculations, the contribution of the zero modes is taken into account by introducing the so-called collective coordinates. We show that there is a remarkable cancellation of a factor (involving scalar products of zero modes) between the Jacobian of the transformation to the collective coordinates and the functional fluctuation determinant with excluded zero eigenvalues. This cancellation drastically simplifies instanton calculations when one uses our formulas.

Spatial correlation of the dynamic propensity of a glass-forming liquid

NASA Astrophysics Data System (ADS)

Razul, M. Shajahan G.; Matharoo, Gurpreet S.; Poole, Peter H.

2011-06-01

We present computer simulation results on the dynamic propensity (as defined by Widmer-Cooper et al 2004 Phys. Rev. Lett. 93 135701) in a Kob-Andersen binary Lennard-Jones liquid system consisting of 8788 particles. We compute the spatial correlation function for the dynamic propensity as a function of both the reduced temperature T, and the time scale on which the particle displacements are measured. For T <= 0.6, we find that non-zero correlations occur at the largest length scale accessible in our system. We also show that a cluster-size analysis of particles with extremal values of the dynamic propensity, as well as 3D visualizations, reveal spatially correlated regions that approach the size of our system as T decreases, consistently with the behavior of the spatial correlation function. Next, we define and examine the 'coordination propensity', the isoconfigurational average of the coordination number of the minority B particles around the majority A particles. We show that a significant correlation exists between the spatial fluctuations of the dynamic and coordination propensities. In addition, we find non-zero correlations of the coordination propensity occurring at the largest length scale accessible in our system for all T in the range 0.466 < T < 1.0. We discuss the implications of these results for understanding the length scales of dynamical heterogeneity in glass-forming liquids.

A new approach to global control of redundant manipulators

NASA Technical Reports Server (NTRS)

Seraji, Homayoun

1989-01-01

A new and simple approach to configuration control of redundant manipulators is presented. In this approach, the redundancy is utilized to control the manipulator configuration directly in task space, where the task will be performed. A number of kinematic functions are defined to reflect the desirable configuration that will be achieved for a given end-effector position. The user-defined kinematic functions and the end-effector Cartesian coordinates are combined to form a set of task-related configuration variables as generalized coordinates for the manipulator. An adaptive scheme is then utilized to globally control the configuration variables so as to achieve tracking of some desired reference trajectories. This accomplishes the basic task of desired end-effector motion, while utilizing the redundancy to achieve any additional task through the desired time variation of the kinematic functions. The control law is simple and computationally very fast, and does not require the complex manipulator dynamic model.

X-ray K-edge absorption spectra of Fe minerals and model compounds: II. EXAFS

NASA Astrophysics Data System (ADS)

Waychunas, Glenn A.; Brown, Gordon E.; Apted, Michael J.

1986-01-01

K-edge extended X-ray absorption fine structure (EXAFS) spectra of Fe in varying environments in a suite of well-characterized silicate and oxide minerals were collected using synchrotron radiation and analyzed using single scattering approximation theory to yield nearest neighbor Fe-O distances and coordination numbers. The partial inverse character of synthetic hercynite spinal was verified in this way. Comparison of the results from all samples with structural data from X-ray diffraction crystal structure refinements indicates that EXAFS-derived first neighbor distances are generally accurate to ±0.02 Å using only theoretically generated phase information, and may be improved over this if similar model compounds are used to determine EXAFS phase functions. Coordination numbers are accurate to ±20 percent and can be similarly improved using model compound EXAFS amplitude information. However, in particular cases the EXAFS-derived distances may be shortened, and the coordination number reduced, by the effects of static and thermal disorder or by partial overlap of the longer Fe-O first neighbor distances with second neighbor distances in the EXAFS structure function. In the former case the total information available in the EXAFS is limited by the disorder, while in the latter case more accurate results can in principle be obtained by multiple neighbor EXAFS analysis. The EXAFS and XANES spectra of Fe in Nain, Labrador osumulite and Lakeview, Oregon plagioclase are also analyzed as an example of the application of X-ray absorption spectroscopy to metal ion site occupation determination in minerals.

Extraction of water and speciation of trivalent lanthanides and americium in organophosphorus extractants

DOE PAGES

Gullekson, Brian J.; Breshears, Andrew T.; Brown, M. Alex; ...

2016-11-29

Complexes of the trivalent lanthanides and Am with di-2-ethylhexylphosphoric acid (HDEHP) dissolved in an aliphatic diluent were probed with UV–vis, X-ray absorption fine structure, and time-resolved fluorescence spectroscopy while the water concentration was determined by Karl Fischer titrations. In particular, our work focuses on the Nd-hypersensitive UV–vis absorbance region to identify the cause of changing absorbance values at 570 and 583 nm in relation to the pseudooctahedral Nd environment when coordinated with three HDEHP dimers. In contrast to recently reported interpretations, we establish that while impurities have an effect on this electronic transition band, a high water content can causemore » distortion of the pseudooctahedral symmetry of the six-coordinate Nd, resembling the reported spectra of the seven-coordinate Nd compounds. Extended X-ray absorption fine structure analysis of the Nd in high-concentration HDEHP solutions also points to an increase in the coordination number from 6 to 7. The spectral behavior of other lanthanides (Pr, Ho, Sm, and Er) and Am III as a function of the HDEHP concentration suggests that water coordination with the metal likely depends on the metal’s effective charge. Fluorescence data using lifetime studies and excitation and emission spectra support the inclusion of water in the Eu coordination sphere. Further, the role of the effective charge was confirmed by a comparison of the Gibbs free energies of six- and seven-coordinate La-HDEHP–H 2O and Lu-HDEHP–H 2O complexes using density functional theory. In contrast, HEH[EHP], the phosphonic acid analogue of HDEHP, exhibits a smaller capacity for water, and the electronic absorption spectra of Nd or Am appear to be unchanged, although the Pr spectra show a noticeable change in intensity as a function of the water content. As a result, electronic absorption extinction coefficients of Am III, Nd III, Pr III, Sm III, Er III, and Ho III as a function of the HDEHP concentration are reported for the first time.« less

Extraction of water and speciation of trivalent lanthanides and americium in organophosphorus extractants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gullekson, Brian J.; Breshears, Andrew T.; Brown, M. Alex

Complexes of the trivalent lanthanides and Am with di-2-ethylhexylphosphoric acid (HDEHP) dissolved in an aliphatic diluent were probed with UV–vis, X-ray absorption fine structure, and time-resolved fluorescence spectroscopy while the water concentration was determined by Karl Fischer titrations. In particular, our work focuses on the Nd-hypersensitive UV–vis absorbance region to identify the cause of changing absorbance values at 570 and 583 nm in relation to the pseudooctahedral Nd environment when coordinated with three HDEHP dimers. In contrast to recently reported interpretations, we establish that while impurities have an effect on this electronic transition band, a high water content can causemore » distortion of the pseudooctahedral symmetry of the six-coordinate Nd, resembling the reported spectra of the seven-coordinate Nd compounds. Extended X-ray absorption fine structure analysis of the Nd in high-concentration HDEHP solutions also points to an increase in the coordination number from 6 to 7. The spectral behavior of other lanthanides (Pr, Ho, Sm, and Er) and Am III as a function of the HDEHP concentration suggests that water coordination with the metal likely depends on the metal’s effective charge. Fluorescence data using lifetime studies and excitation and emission spectra support the inclusion of water in the Eu coordination sphere. Further, the role of the effective charge was confirmed by a comparison of the Gibbs free energies of six- and seven-coordinate La-HDEHP–H 2O and Lu-HDEHP–H 2O complexes using density functional theory. In contrast, HEH[EHP], the phosphonic acid analogue of HDEHP, exhibits a smaller capacity for water, and the electronic absorption spectra of Nd or Am appear to be unchanged, although the Pr spectra show a noticeable change in intensity as a function of the water content. As a result, electronic absorption extinction coefficients of Am III, Nd III, Pr III, Sm III, Er III, and Ho III as a function of the HDEHP concentration are reported for the first time.« less

Balancing Exploration, Uncertainty Representation and Computational Time in Many-Objective Reservoir Policy Optimization

NASA Astrophysics Data System (ADS)

Zatarain-Salazar, J.; Reed, P. M.; Quinn, J.; Giuliani, M.; Castelletti, A.

2016-12-01

As we confront the challenges of managing river basin systems with a large number of reservoirs and increasingly uncertain tradeoffs impacting their operations (due to, e.g. climate change, changing energy markets, population pressures, ecosystem services, etc.), evolutionary many-objective direct policy search (EMODPS) solution strategies will need to address the computational demands associated with simulating more uncertainties and therefore optimizing over increasingly noisy objective evaluations. Diagnostic assessments of state-of-the-art many-objective evolutionary algorithms (MOEAs) to support EMODPS have highlighted that search time (or number of function evaluations) and auto-adaptive search are key features for successful optimization. Furthermore, auto-adaptive MOEA search operators are themselves sensitive to having a sufficient number of function evaluations to learn successful strategies for exploring complex spaces and for escaping from local optima when stagnation is detected. Fortunately, recent parallel developments allow coordinated runs that enhance auto-adaptive algorithmic learning and can handle scalable and reliable search with limited wall-clock time, but at the expense of the total number of function evaluations. In this study, we analyze this tradeoff between parallel coordination and depth of search using different parallelization schemes of the Multi-Master Borg on a many-objective stochastic control problem. We also consider the tradeoff between better representing uncertainty in the stochastic optimization, and simplifying this representation to shorten the function evaluation time and allow for greater search. Our analysis focuses on the Lower Susquehanna River Basin (LSRB) system where multiple competing objectives for hydropower production, urban water supply, recreation and environmental flows need to be balanced. Our results provide guidance for balancing exploration, uncertainty, and computational demands when using the EMODPS framework to discover key tradeoffs within the LSRB system.

DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?

PubMed

Amabilino, Silvia; Deeth, Robert J

2017-03-06

Six-coordinate, rigorously octahedral d 4 Mn(III) spin crossover (SCO) complexes are limited by symmetry to an S = 1 (intermediate spin, IS) to S = 2 (high spin, HS) transition. In order to realize the potential S = 0 to S = 2 transition, a lower symmetry and/or change in coordination number is needed, which we explore here computationally. First, a number of complexes are analyzed to develop a reliable and relatively fast DFT protocol for reproducing known Mn(III) spin state energetics. The hybrid meta-GGA functional TPSSh with a modest split valence plus polarization basis set and an empirical dispersion correction is found to predict correctly the ground spin state of Mn(III) complexes, including true low-spin (LS) S = 0 systems, with a range of donor sets including the hexadentate [N 4 O 2 ] Schiff base ligands. The electronic structure design criteria necessary for realizing a ΔS = 2 SCO transition are described, and a number of model complexes are screened for potential SCO behavior. Five-coordinate trigonal-bipyramidal symmetry fails to yield any suitable systems. Seven-coordinate, approximately pentagonal bipyramidal symmetry is more favorable, and when a known pentadentate macrocyclic donor is combined with π-acceptor axial ligands, a novel Mn(III) complex, [Mn(PABODP)(PF 3 ) 2 ] 3+ (PABODP = 2,13-dimethyl-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene), is predicted to have the right spin state energetics for an S = 0 to S = 2 transition. Successful synthesis of such a complex could provide the first example of a ΔS = 2 SCO transition for d 4 Mn(III). However, the combination of a rigid macrocycle and a high coordination number dilutes the stereochemical activity of the d electrons, leading to relatively small structural changes between HS and LS systems. It may therefore remain a challenge to realize strong cooperative effects in Mn(III) systems.

Mental Retardation: The Search for Cures. Research Monograph Number 7.

ERIC Educational Resources Information Center

Menolascino, Frank J.; Neman, Ronald

The booklet describes the Association for Retarded Citizens' (ARC's) goal of coordinating efforts to seek a cure for mental retardation. Cures are defined as any intervention that would significantly increase intellectual functioning and adaptive behavior beyond the upper level of retardation. It is explained that because of the variety of causes…

Connecting the Dots: Data Use in Afterschool Systems

ERIC Educational Resources Information Center

Spielberger, Julie; Axelrod, Jennifer; Dasgupta, Denali; Cerven, Christine; Spain, Angeline; Kohm, Amelia; Mader, Nicholas

2016-01-01

To support the effectiveness of afterschool programs in fostering skills youth need to succeed in school and life, a growing number of cities have invested in afterschool systems to coordinate disparate programs and funding streams. A primary function of most afterschool systems is to develop and maintain a data system to collect, analyze, and…

Periodicity in the Acid-Base Behavior of Oxides and Hydroxides.

ERIC Educational Resources Information Center

Rich, Ronald L.

1985-01-01

Aqueous solubilities of many important hydrous oxides and hydroxides are displayed, for the various elements, as functions primarily of pH. These graphs are then arranged in groups to facilitate studies of the effects of oxidation state, electron structure, and position in the periodic table, along with size and coordination number. (JN)

Single proteins that serve linked functions in intracellular and extracellular microenvironments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radisky, Derek C.; Stallings-Mann, Melody; Hirai, Yohei

2009-06-03

Maintenance of organ homeostasis and control of appropriate response to environmental alterations requires intimate coordination of cellular function and tissue organization. An important component of this coordination may be provided by proteins that can serve distinct, but linked, functions on both sides of the plasma membrane. Here we present a novel hypothesis in which non-classical secretion can provide a mechanism through which single proteins can integrate complex tissue functions. Single genes can exert a complex, dynamic influence through a number of different processes that act to multiply the function of the gene product(s). Alternative splicing can create many different transcriptsmore » that encode proteins of diverse, even antagonistic, function from a single gene. Posttranslational modifications can alter the stability, activity, localization, and even basic function of proteins. A protein can exist in different subcellular localizations. More recently, it has become clear that single proteins can function both inside and outside the cell. These proteins often lack defined secretory signal sequences, and transit the plasma membrane by mechanisms separate from the classical ER/Golgi secretory process. When examples of such proteins are examined individually, the multifunctionality and lack of a signal sequence are puzzling - why should a protein with a well known function in one context function in such a distinct fashion in another? We propose that one reason for a single protein to perform intracellular and extracellular roles is to coordinate organization and maintenance of a global tissue function. Here, we describe in detail three specific examples of proteins that act in this fashion, outlining their specific functions in the extracellular space and in the intracellular space, and we discuss how these functions may be linked. We present epimorphin/syntaxin-2, which may coordinate morphogenesis of secretory organs (as epimorphin) with control of protein secretion (as syntaxin-2), amphoterin/high mobility group box-1 (HMGB1), which may link inflammation (as amphoterin) with regulation of gene expression (as HMGB1), and tissue transglutaminase, which affects delivery of and response to apoptotic signals by serving a related function on both sides of the plasma membrane. As it is notable that all three of these proteins have been reported to transit the plasma membrane through non-classical secretory mechanisms, we will also discuss why coordinated inside/outside functions may be found in some examples of proteins which transit the plasma membrane through non-classical mechanisms and how this relationship can be used to identify additional proteins that share these characteristics.« less

Curvilinear grids for WENO methods in astrophysical simulations

NASA Astrophysics Data System (ADS)

Grimm-Strele, H.; Kupka, F.; Muthsam, H. J.

2014-03-01

We investigate the applicability of curvilinear grids in the context of astrophysical simulations and WENO schemes. With the non-smooth mapping functions from Calhoun et al. (2008), we can tackle many astrophysical problems which were out of scope with the standard grids in numerical astrophysics. We describe the difficulties occurring when implementing curvilinear coordinates into our WENO code, and how we overcome them. We illustrate the theoretical results with numerical data. The WENO finite difference scheme works only for high Mach number flows and smooth mapping functions, whereas the finite volume scheme gives accurate results even for low Mach number flows and on non-smooth grids.

Clustering of galaxies near damped Lyman-alpha systems with (z) = 2.6

NASA Technical Reports Server (NTRS)

Wolfe, A. M

1993-01-01

The galaxy two-point correlation function, xi, at (z) = 2.6 is determined by comparing the number of Ly-alpha-emitting galaxies in narrowband CCD fields selected for the presence of damped L-alpha absorption to their number in randomly selected control fields. Comparisons between the presented determination of (xi), a density-weighted volume average of xi, and model predictions for (xi) at large redshifts show that models in which the clustering pattern is fixed in proper coordinates are highly unlikely, while better agreement is obtained if the clustering pattern is fixed in comoving coordinates. Therefore, clustering of Ly-alpha-emitting galaxies around damped Ly-alpha systems at large redshifts is strong. It is concluded that the faint blue galaxies are drawn from a parent population different from normal galaxies, the presumed offspring of damped Ly-alpha systems.

Modelling the atomic structure of Al92U8 metallic glass.

PubMed

Michalik, S; Bednarcik, J; Jóvári, P; Honkimäki, V; Webb, A; Franz, H; Fazakas, E; Varga, L K

2010-10-13

The local atomic structure of the glassy Al(92)U(8) alloy was modelled by the reverse Monte Carlo (RMC) method, fitting x-ray diffraction (XRD) and extended x-ray absorption fine structure (EXAFS) signals. The final structural model was analysed by means of partial pair correlation functions, coordination number distributions and Voronoi tessellation. In our study we found that the most probable atomic separations between Al-Al and U-Al pairs in the glassy Al(92)U(8) alloy are 2.7 Å and 3.1 Å with coordination numbers 11.7 and 17.1, respectively. The Voronoi analysis did not support evidence of the existence of well-defined building blocks directly embedded in the amorphous matrix. The dense-random-packing model seems to be adequate for describing the connection between solvent and solute atoms.

A single particle model to simulate the dynamics of entangled polymer melts.

PubMed

Kindt, P; Briels, W J

2007-10-07

We present a computer simulation model of polymer melts representing each chain as one single particle. Besides the position coordinate of each particle, we introduce a parameter n(ij) for each pair of particles i and j within a specified distance from each other. These numbers, called entanglement numbers, describe the deviation of the system of ignored coordinates from its equilibrium state for the given configuration of the centers of mass of the polymers. The deviations of the entanglement numbers from their equilibrium values give rise to transient forces, which, together with the conservative forces derived from the potential of mean force, govern the displacements of the particles. We have applied our model to a melt of C(800)H(1602) chains at 450 K and have found good agreement with experiments and more detailed simulations. Properties addressed in this paper are radial distribution functions, dynamic structure factors, and linear as well as nonlinear rheological properties.

Optimization of an auto-thermal ammonia synthesis reactor using cyclic coordinate method

NASA Astrophysics Data System (ADS)

A-N Nguyen, T.; Nguyen, T.-A.; Vu, T.-D.; Nguyen, K.-T.; K-T Dao, T.; P-H Huynh, K.

2017-06-01

The ammonia synthesis system is an important chemical process used in the manufacture of fertilizers, chemicals, explosives, fibers, plastics, refrigeration. In the literature, many works approaching the modeling, simulation and optimization of an auto-thermal ammonia synthesis reactor can be found. However, they just focus on the optimization of the reactor length while keeping the others parameters constant. In this study, the other parameters are also considered in the optimization problem such as the temperature of feed gas enters the catalyst zone, the initial nitrogen proportion. The optimal problem requires the maximization of an objective function which is multivariable function and subject to a number of equality constraints involving the solution of coupled differential equations and also inequality constraint. The cyclic coordinate search was applied to solve the multivariable-optimization problem. In each coordinate, the golden section method was applied to find the maximum value. The inequality constraints were treated using penalty method. The coupled differential equations system was solved using Runge-Kutta 4th order method. The results obtained from this study are also compared to the results from the literature.

Coupling between the basic replicon and the Kis-Kid maintenance system of plasmid R1: modulation by Kis antitoxin levels and involvement in control of plasmid replication.

PubMed

López-Villarejo, Juan; Lobato-Márquez, Damián; Díaz-Orejas, Ramón

2015-02-05

kis-kid, the auxiliary maintenance system of plasmid R1 and copB, the auxiliary copy number control gene of this plasmid, contribute to increase plasmid replication efficiency in cells with lower than average copy number. It is thought that Kis antitoxin levels decrease in these cells and that this acts as the switch that activates the Kid toxin; activated Kid toxin reduces copB-mRNA levels and this increases RepA levels that increases plasmid copy number. In support of this model we now report that: (i) the Kis antitoxin levels do decrease in cells containing a mini-R1 plasmid carrying a repA mutation that reduces plasmid copy number; (ii) kid-dependent replication rescue is abolished in cells in which the Kis antitoxin levels or the CopB levels are increased. Unexpectedly we found that this coordination significantly increases both the copy number of the repA mutant and of the wt mini-R1 plasmid. This indicates that the coordination between plasmid replication functions and kis-kid system contributes significantly to control plasmid R1 replication.

Coupling between the Basic Replicon and the Kis-Kid Maintenance System of Plasmid R1: Modulation by Kis Antitoxin Levels and Involvement in Control of Plasmid Replication

PubMed Central

López-Villarejo, Juan; Lobato-Márquez, Damián; Díaz-Orejas, Ramón

2015-01-01

kis-kid, the auxiliary maintenance system of plasmid R1 and copB, the auxiliary copy number control gene of this plasmid, contribute to increase plasmid replication efficiency in cells with lower than average copy number. It is thought that Kis antitoxin levels decrease in these cells and that this acts as the switch that activates the Kid toxin; activated Kid toxin reduces copB-mRNA levels and this increases RepA levels that increases plasmid copy number. In support of this model we now report that: (i) the Kis antitoxin levels do decrease in cells containing a mini-R1 plasmid carrying a repA mutation that reduces plasmid copy number; (ii) kid-dependent replication rescue is abolished in cells in which the Kis antitoxin levels or the CopB levels are increased. Unexpectedly we found that this coordination significantly increases both the copy number of the repA mutant and of the wt mini-R1 plasmid. This indicates that the coordination between plasmid replication functions and kis-kid system contributes significantly to control plasmid R1 replication. PMID:25664511

Sensorimotor Assessment and Rehabilitative Apparatus

DTIC Science & Technology

2016-10-01

Support: Title: Tinnitus Retraining Treatment Trial Data Coordinating Center (TRTT) (GRANT RECENTLY ENDED) Grant Number/PI: U01 DC007422 (Scherer...Description of project’s goals: The Tinnitus Retraining Therapy Trial is a multi-center randomized controlled trial testing the efficacy of tinnitus ...retraining therapy versus usual care as a treatment for severe debilitating tinnitus in patients with functionally normal hearing. Title

Connecting the Dots: Data Use in Afterschool Systems. Research Brief

ERIC Educational Resources Information Center

Spielberger, Julie; Axelrod, Jennifer; Dasgupta, Denali; Cerven, Christine; Spain, Angeline; Kohm, Amelia; Mader, Nicholas

2016-01-01

To support the effectiveness of afterschool programs in fostering skills youth need to succeed in school and life, a growing number of cities have invested in afterschool systems to coordinate disparate programs and funding streams. A primary function of most afterschool systems is to develop and maintain a data system to collect, analyze, and…

A coordinate-based ALE functional MRI meta-analysis of brain activation during verbal fluency tasks in healthy control subjects

PubMed Central

2014-01-01

Background The processing of verbal fluency tasks relies on the coordinated activity of a number of brain areas, particularly in the frontal and temporal lobes of the left hemisphere. Recent studies using functional magnetic resonance imaging (fMRI) to study the neural networks subserving verbal fluency functions have yielded divergent results especially with respect to a parcellation of the inferior frontal gyrus for phonemic and semantic verbal fluency. We conducted a coordinate-based activation likelihood estimation (ALE) meta-analysis on brain activation during the processing of phonemic and semantic verbal fluency tasks involving 28 individual studies with 490 healthy volunteers. Results For phonemic as well as for semantic verbal fluency, the most prominent clusters of brain activation were found in the left inferior/middle frontal gyrus (LIFG/MIFG) and the anterior cingulate gyrus. BA 44 was only involved in the processing of phonemic verbal fluency tasks, BA 45 and 47 in the processing of phonemic and semantic fluency tasks. Conclusions Our comparison of brain activation during the execution of either phonemic or semantic verbal fluency tasks revealed evidence for spatially different activation in BA 44, but not other regions of the LIFG/LMFG (BA 9, 45, 47) during phonemic and semantic verbal fluency processing. PMID:24456150

Increased neuromuscular consistency in gait and balance after partnered, dance-based rehabilitation in Parkinson's disease.

PubMed

Allen, Jessica L; McKay, J Lucas; Sawers, Andrew; Hackney, Madeleine E; Ting, Lena H

2017-07-01

Here we examined changes in muscle coordination associated with improved motor performance after partnered, dance-based rehabilitation in individuals with mild to moderate idiopathic Parkinson's disease. Using motor module (a.k.a. muscle synergy) analysis, we identified changes in the modular control of overground walking and standing reactive balance that accompanied clinically meaningful improvements in behavioral measures of balance, gait, and disease symptoms after 3 wk of daily Adapted Tango classes. In contrast to previous studies that revealed a positive association between motor module number and motor performance, none of the six participants in this pilot study increased motor module number despite improvements in behavioral measures of balance and gait performance. Instead, motor modules were more consistently recruited and distinctly organized immediately after rehabilitation, suggesting more reliable motor output. Furthermore, the pool of motor modules shared between walking and reactive balance increased after rehabilitation, suggesting greater generalizability of motor module function across tasks. Our work is the first to show that motor module distinctness, consistency, and generalizability are more sensitive to improvements in gait and balance function after short-term rehabilitation than motor module number. Moreover, as similar differences in motor module distinctness, consistency, and generalizability have been demonstrated previously in healthy young adults with and without long-term motor training, our work suggests commonalities in the structure of muscle coordination associated with differences in motor performance across the spectrum from motor impairment to expertise. NEW & NOTEWORTHY We demonstrate changes in neuromuscular control of gait and balance in individuals with Parkinson's disease after short-term, dance-based rehabilitation. Our work is the first to show that motor module distinctness, consistency, and generalizability across gait and balance are more sensitive than motor module number to improvements in motor performance following short-term rehabilitation. Our results indicate commonalities in muscle coordination improvements associated with motor skill reacquisition due to rehabilitation and motor skill acquisition in healthy individuals. Copyright © 2017 the American Physiological Society.

3D visualization of solar wind ion data from the Chang'E-1 exploration

NASA Astrophysics Data System (ADS)

Zhang, Tian; Sun, Yankui; Tang, Zesheng

2011-10-01

Chang'E-1 (abbreviation CE-1), China's first Moon-orbiting spacecraft launched in 2007, carried equipment called the Solar Wind Ion Detector (abbreviation SWID), which sent back tens of gigabytes of solar wind ion differential number flux data. These data are essential for furthering our understanding of the cislunar space environment. However, to fully comprehend and analyze these data presents considerable difficulties, not only because of their huge size (57 GB), but also because of their complexity. Therefore, a new 3D visualization method is developed to give a more intuitive representation than traditional 1D and 2D visualizations, and in particular to offer a better indication of the direction of the incident ion differential number flux and the relative spatial position of CE-1 with respect to the Sun, the Earth, and the Moon. First, a coordinate system named Selenocentric Solar Ecliptic (SSE) which is more suitable for our goal is chosen, and solar wind ion differential number flux vectors in SSE are calculated from Geocentric Solar Ecliptic System (GSE) and Moon Center Coordinate (MCC) coordinates of the spacecraft, and then the ion differential number flux distribution in SSE is visualized in 3D space. This visualization method is integrated into an interactive visualization analysis software tool named vtSWIDs, developed in MATLAB, which enables researchers to browse through numerous records and manipulate the visualization results in real time. The tool also provides some useful statistical analysis functions, and can be easily expanded.

Multi-technology Investigation of the Atomic Structure of Calcium Silicate Hydrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geng, Guoqing; Kilcoyne, David A.; Benmore, Chris J.

2015-01-01

In this study, synthetic C-S-H samples were investigated to reveal the feature at atomic scale. Rietveld refinement was applied to high resolution X-ray scattering data, yielding the lattice constants of the pseudocrystal structure, as well as the crystallinity along three axes. Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra was collected at calcium L3,2-edge. Evolution of calcium coordination symmetry were studied by investigating spectra characteristics. Pair Distribution Function (PDF) study yields the statistics of atom pair distribution. Coordination number of Ca and Si were obtained by integrating Radial distribution function. Atomic model based on dimeric structure were discussed and comparedmore » with experimental data. Synthetic C-S-H samples with increasing Ca/Si ratio exhibit pseudo-crystal structure, resembling Dreierketten configuration similar to natural tobermorite structure. Along c-axis, the repeated structure could not survives two layers in case of low Ca/Si ratio (0.70, 1.05). But in high Ca/Si ratio (1.42) case, the crystallinity along c-axis is much bigger. The coordination number of Ca decreases with increasing Ca/Si ratio. Octahedrally coordinated Ca are observed in sample with Ca/Si ratio of 1.42. Various dimeric models are compared with experimental data. In case of Ca/Si ratio of 1.42, SiO4 tetrahedron chain needs to be shortened in linkage, most probably by substituting bridging SiO4 tetrahedron with CaO6 octahedron. These octahedrons in interlayer space act like pins to join two adjacent layer structures together. The crystallinity is thus increased along c-axis, and average coordination number is therefore reduced. In case of Ca/Si 1.05, crystallinity is low along c-axis since, indicating that not too many Ca ions exist in interlayer space to hold two layers together. Instead, negative charge of end oxygen could be balanced by proton. Ca/Si 0.70 has long tetrahedron chain linkage within layer while the linkage between adjacent layers are not strong, resulting in low crystallinity along c-axis. Neither Ca/Si ratio 0.70 nor 1.42 sample contains any Ca in octahedral symmetry, as indicated by the weak crystal field splitting of NEXAFS spectra.« less

CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.

PubMed

Huynh, Kevin W; Jiang, Jiansen; Abuladze, Natalia; Tsirulnikov, Kirill; Kao, Liyo; Shao, Xuesi; Newman, Debra; Azimov, Rustam; Pushkin, Alexander; Zhou, Z Hong; Kurtz, Ira

2018-03-02

Na + -coupled acid-base transporters play essential roles in human biology. Their dysfunction has been linked to cancer, heart, and brain disease. High-resolution structures of mammalian Na + -coupled acid-base transporters are not available. The sodium-bicarbonate cotransporter NBCe1 functions in multiple organs and its mutations cause blindness, abnormal growth and blood chemistry, migraines, and impaired cognitive function. Here, we have determined the structure of the membrane domain dimer of human NBCe1 at 3.9 Å resolution by cryo electron microscopy. Our atomic model and functional mutagenesis revealed the ion accessibility pathway and the ion coordination site, the latter containing residues involved in human disease-causing mutations. We identified a small number of residues within the ion coordination site whose modification transformed NBCe1 into an anion exchanger. Our data suggest that symporters and exchangers utilize comparable transport machinery and that subtle differences in their substrate-binding regions have very significant effects on their transport mode.

Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment

DOE PAGES

Chialvo, Ariel A.; Vlcek, Lukas

2015-05-22

We confront the microstructural analysis of aqueous electrolytes and present a detailed account of the fundamentals underlying the neutron scattering with isotopic substitution (NDIS) approach for the experimental determination of ion coordination numbers in systems involving both halides anions and oxyanions. We place particular emphasis on the frequently overlooked ion-pairing phenomenon, identify its microstructural signature in the neutron-weighted distribution functions, and suggest novel techniques to deal with either the estimation of the ion-pairing magnitude or the correction of its effects on the experimentally measured coordination numbers. We illustrate the underlying ideas by applying these new developments to the interpretation ofmore » four NDIS test-cases via molecular simulation, as convenient dry runs for the actual scattering experiments, for representative aqueous electrolyte solutions at ambient conditions involving metal halides and nitrates.« less

Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.

PubMed

Nagata, Maika K C T; Brauchle, Paul S; Wang, Sen; Briggs, Sarah K; Hong, Young Soo; Laorenza, Daniel W; Lee, Andrea G; Westmoreland, T David

2016-08-16

Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl 2 •3H 2 O, [Ni(DOTAM)]Cl 2 •4H 2 O, and [Cu(DOTAM)](ClO 4 ) 2 •H 2 O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)] 2+ complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)] 2+ , [Ni(DOTAM)] 2+ , and [Zn(DOTAM)] 2+ are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)] 2+ and [Ca(DOTAM)] 2+ are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)] 2+ , which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.

Family well-being in a participant-directed autism waiver program: the role of relational coordination.

PubMed

Warfield, M E; Chiri, G; Leutz, W N; Timberlake, M

2014-12-01

Massachusetts is one of a very limited number of states exclusively employing participant-direction to deliver autism waiver services to children. A crucial element of this waiver program is the work conducted by the state's Department of Developmental Services (DDS) staff and state-approved providers with waiver families to facilitate the implementation of the participant-direction model. Our study investigates the effect of the collaboration between state providers and family caregivers on family well-being. We conducted a survey of 74 families who have been utilising waiver services for at least 6 months. Participants were asked to rate the coordination with providers as well as to report on parenting stress and impact of waiver services on family functioning. Data from in-home child and family assessments conducted by the state were also abstracted from program records. After controlling for a host of variables hypothesised to affect the outcomes of interest, we found that the family's view of how well they coordinated with formal providers is significantly associated all of the outcomes. Families who reported greater coordination with state providers experienced lower parenting stress and reported a more positive impact on family functioning. Child externalising behavioural problems and caregiver's health rating also contributed to parenting stress and family functioning. Our findings highlight the importance of establishing a collaborative partnership with waiver families in promoting family well-being. These results suggest that training and/or resources that foster team building and communication can positively impact family functioning among families with young children with autism. © 2013 MENCAP and International Association of the Scientific Study of Intellectual and Developmental Disabilities and John Wiley & Sons Ltd.

The RNA polymerase II CTD coordinates transcription and RNA processing

PubMed Central

Hsin, Jing-Ping; Manley, James L.

2012-01-01

The C-terminal domain (CTD) of the RNA polymerase II largest subunit consists of multiple heptad repeats (consensus Tyr1–Ser2–Pro3–Thr4–Ser5–Pro6–Ser7), varying in number from 26 in yeast to 52 in vertebrates. The CTD functions to help couple transcription and processing of the nascent RNA and also plays roles in transcription elongation and termination. The CTD is subject to extensive post-translational modification, most notably phosphorylation, during the transcription cycle, which modulates its activities in the above processes. Therefore, understanding the nature of CTD modifications, including how they function and how they are regulated, is essential to understanding the mechanisms that control gene expression. While the significance of phosphorylation of Ser2 and Ser5 residues has been studied and appreciated for some time, several additional modifications have more recently been added to the CTD repertoire, and insight into their function has begun to emerge. Here, we review findings regarding modification and function of the CTD, highlighting the important role this unique domain plays in coordinating gene activity. PMID:23028141

Modeling Multi-Agent Self-Organization through the Lens of Higher Order Attractor Dynamics.

PubMed

Butner, Jonathan E; Wiltshire, Travis J; Munion, A K

2017-01-01

Social interaction occurs across many time scales and varying numbers of agents; from one-on-one to large-scale coordination in organizations, crowds, cities, and colonies. These contexts, are characterized by emergent self-organization that implies higher order coordinated patterns occurring over time that are not due to the actions of any particular agents, but rather due to the collective ordering that occurs from the interactions of the agents. Extant research to understand these social coordination dynamics (SCD) has primarily examined dyadic contexts performing rhythmic tasks. To advance this area of study, we elaborate on attractor dynamics, our ability to depict them visually, and quantitatively model them. Primarily, we combine difference/differential equation modeling with mixture modeling as a way to infer the underlying topological features of the data, which can be described in terms of attractor dynamic patterns. The advantage of this approach is that we are able to quantify the self-organized dynamics that agents exhibit, link these dynamics back to activity from individual agents, and relate it to other variables central to understanding the coordinative functionality of a system's behavior. We present four examples that differ in the number of variables used to depict the attractor dynamics (1, 2, and 6) and range from simulated to non-simulated data sources. We demonstrate that this is a flexible method that advances scientific study of SCD in a variety of multi-agent systems.

Leadership in multiteam systems.

PubMed

DeChurch, Leslie A; Marks, Michelle A

2006-03-01

This study examined 2 leader functions likely to be instrumental in synchronizing large systems of teams (i.e., multiteam systems [MTSs]). Leader strategizing and coordinating were manipulated through training, and effects on functional leadership, interteam coordination, and MTS performance were examined. Three hundred eighty-four undergraduate students participated in a laboratory simulation modeling a 3-team MTS performing an F-22 battle simulation task (N = 64 MTSs). Results indicate that both leader training manipulations improved functional leadership and interteam coordination and that functional leader behavior was positively related to MTS-level performance. Functional leadership mediated the effects of both types of training on interteam coordination, and interteam coordination fully mediated the effect of MTS leadership on MTS performance.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-03-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100- x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-06-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

MODY - calculation of ordered structures by symmetry-adapted functions

NASA Astrophysics Data System (ADS)

Białas, Franciszek; Pytlik, Lucjan; Sikora, Wiesława

2016-01-01

In this paper we focus on the new version of computer program MODY for calculations of symmetryadapted functions based on the theory of groups and representations. The choice of such a functional frame of coordinates for description of ordered structures leads to a minimal number of parameters which must be used for presentation of such structures and investigations of their properties. The aim of this work is to find those parameters, which are coefficients of a linear combination of calculated functions, leading to construction of different types of structure ordering with a given symmetry. A spreadsheet script for simplification of this work has been created and attached to the program.

The role of health information technology in advancing care management and coordination in accountable care organizations.

PubMed

Wu, Frances M; Shortell, Stephen M; Rundall, Thomas G; Bloom, Joan R

To be successful, accountable care organizations (ACOs) must effectively manage patient care. Health information technology (HIT) can support care delivery by providing various degrees of coordination. Few studies have examined the role of HIT functionalities or the role of different levels of coordination enabled by HIT on care management processes. We examine HIT functionalities in ACOs, categorized by the level of coordination they enable in terms of information and work flow, to determine which specific HIT functionalities and levels of coordination are most strongly associated with care management processes. Retrospective cross-sectional analysis was done using 2012 data from the National Survey of Accountable Care Organizations. HIT functionalities are categorized into coordination levels: information capture, the lowest level, which coordinates through standardization; information provision, which supports unidirectional activities; and information exchange, which reflects the highest level of coordination allowing for bidirectional exchange. The Care Management Process index (CMP index) includes 13 questions about the extent to which care is planned, monitored, and supported by providers and patients. Multiple regressions adjusting for organizational and ACO contractual factors are used to assess relationships between HIT functionalities and the CMP index. HIT functionality coordinating the most complex interdependences (information exchange) was associated with a 0.41 standard deviation change in the CMP index (β = .41, p < .001), but the associations for information capture (β = -.01, p = .97) and information provision (β = .15, p = .48) functionalities were not significant. The current study has shed some light on the relationship between HIT and care management processes by specifying the coordination roles that HIT may play and, in particular, the importance of information exchange functionalities. Although these represent early findings, further research can help policy makers and clinical leaders understand how to prioritize HIT development given resource constraints.

Nonlinear chiral plasma transport in rotating coordinates

NASA Astrophysics Data System (ADS)

Dayi, Ömer F.; Kilinçarslan, Eda

2017-08-01

The nonlinear transport features of inhomogeneous chiral plasma in the presence of electromagnetic fields, in rotating coordinates are studied within the relaxation time approach. The chiral distribution functions up to second order in the electric field in rotating coordinates and the derivatives of chemical potentials are established by solving the Boltzmann transport equation. First, the vector and axial current densities in the weakly ionized chiral plasma for vanishing magnetic field are calculated. They involve the rotational analogues of the Hall effect as well as several new terms arising from the Coriolis and fictitious centrifugal forces. Then in the short relaxation time regime the angular velocity and electromagnetic fields are treated as perturbations. The current densities are obtained by retaining the terms up to second order in perturbations. The time evolution equations of the inhomogeneous chemical potentials are derived by demanding that collisions conserve the particle number densities.

Beyond the Niche: Tissue-Level Coordination of Stem Cell Dynamics

PubMed Central

O’Brien, Lucy Erin; Bilder, David

2014-01-01

Adult animals rely on populations of stem cells to ensure organ function throughout their lifetime. Stem cells are governed by signals from stem cell niches, and much is known about how single niches promote stemness and direct stem cell behavior. However, most organs contain a multitude of stem cell–niche units, which are often distributed across the entire expanse of the tissue. Beyond the biology of individual stem cell–niche interactions, the next challenge is to uncover the tissue-level processes that orchestrate spatial control of stem-based renewal, repair, and remodeling throughout a whole organ. Here we examine what is known about higher order mechanisms for interniche coordination in epithelial organs, whose simple geometry offers a promising entry point for understanding the regulation of niche number, distribution, and activity. We also consider the potential existence of stem cell territories and how tissue architecture may influence niche coordination. PMID:23937350

A Coordinate-Based Meta-Analysis of Overlaps in Regional Specialization and Functional Connectivity across Subjective Value and Default Mode Networks.

PubMed

Acikalin, M Yavuz; Gorgolewski, Krzysztof J; Poldrack, Russell A

2017-01-01

Previous research has provided qualitative evidence for overlap in a number of brain regions across the subjective value network (SVN) and the default mode network (DMN). In order to quantitatively assess this overlap, we conducted a series of coordinate-based meta-analyses (CBMA) of results from 466 functional magnetic resonance imaging experiments on task-negative or subjective value-related activations in the human brain. In these analyses, we first identified significant overlaps and dissociations across activation foci related to SVN and DMN. Second, we investigated whether these overlapping subregions also showed similar patterns of functional connectivity, suggesting a shared functional subnetwork. We find considerable overlap between SVN and DMN in subregions of central ventromedial prefrontal cortex (cVMPFC) and dorsal posterior cingulate cortex (dPCC). Further, our findings show that similar patterns of bidirectional functional connectivity between cVMPFC and dPCC are present in both networks. We discuss ways in which our understanding of how subjective value (SV) is computed and represented in the brain can be synthesized with what we know about the DMN, mind-wandering, and self-referential processing in light of our findings.

Tile-based parallel coordinates and its application in financial visualization

NASA Astrophysics Data System (ADS)

Alsakran, Jamal; Zhao, Ye; Zhao, Xinlei

2010-01-01

Parallel coordinates technique has been widely used in information visualization applications and it has achieved great success in visualizing multivariate data and perceiving their trends. Nevertheless, visual clutter usually weakens or even diminishes its ability when the data size increases. In this paper, we first propose a tile-based parallel coordinates, where the plotting area is divided into rectangular tiles. Each tile stores an intersection density that counts the total number of polylines intersecting with that tile. Consequently, the intersection density is mapped to optical attributes, such as color and opacity, by interactive transfer functions. The method visualizes the polylines efficiently and informatively in accordance with the density distribution, and thus, reduces visual cluttering and promotes knowledge discovery. The interactivity of our method allows the user to instantaneously manipulate the tiles distribution and the transfer functions. Specifically, the classic parallel coordinates rendering is a special case of our method when each tile represents only one pixel. A case study on a real world data set, U.S. stock mutual fund data of year 2006, is presented to show the capability of our method in visually analyzing financial data. The presented visual analysis is conducted by an expert in the domain of finance. Our method gains the support from professionals in the finance field, they embrace it as a potential investment analysis tool for mutual fund managers, financial planners, and investors.

Long-range memory and non-Markov statistical effects in human sensorimotor coordination

NASA Astrophysics Data System (ADS)

M. Yulmetyev, Renat; Emelyanova, Natalya; Hänggi, Peter; Gafarov, Fail; Prokhorov, Alexander

2002-12-01

In this paper, the non-Markov statistical processes and long-range memory effects in human sensorimotor coordination are investigated. The theoretical basis of this study is the statistical theory of non-stationary discrete non-Markov processes in complex systems (Phys. Rev. E 62, 6178 (2000)). The human sensorimotor coordination was experimentally studied by means of standard dynamical tapping test on the group of 32 young peoples with tap numbers up to 400. This test was carried out separately for the right and the left hand according to the degree of domination of each brain hemisphere. The numerical analysis of the experimental results was made with the help of power spectra of the initial time correlation function, the memory functions of low orders and the first three points of the statistical spectrum of non-Markovity parameter. Our observations demonstrate, that with the regard to results of the standard dynamic tapping-test it is possible to divide all examinees into five different dynamic types. We have introduced the conflict coefficient to estimate quantitatively the order-disorder effects underlying life systems. The last one reflects the existence of disbalance between the nervous and the motor human coordination. The suggested classification of the neurophysiological activity represents the dynamic generalization of the well-known neuropsychological types and provides the new approach in a modern neuropsychology.

Entropy and structure of silicate glasses and melts

USGS Publications Warehouse

Richet, P.; Robie, R.A.; Hemingway, B.S.

1993-01-01

Low-temperature adiabatic Cp measurements have been made on NaAlSi2O6, MgSiO3, Ca3Al2Si3O12 and Ca1.5Mg1.5Al2Si3O12 glasses. Above about 50 K, these and previous data show that the heat capacity is an additive function of composition to within ??1% throughout the investigated glassforming part of the system CaO-MgO-Al2O3-SiO2. In view of the determining role of oxygen coordination polyhedra on the low-temperature entropy, this is interpreted as indicating that Si and Al are tetrahedrally coordinated in all these glasses, in agreement with structural data; whereas Ca and Mg remain octahedrally coordinated. In contrast, heat capacities and entropies are not additive functions of composition for alkali aluminosilicates, indicating increases in the coordination numbers of alkali elements from about six to nine when alumina is introduced. A thermochemical consequence of additivity of vibrational entropies of glasses is that entropies of mixing are essentially configurational for calcium and magnesium aluminosilicate melts. For alkali-bearing liquids, it is probable that vibrational entropies contribute significantly to entropies of mixing. At very low temperatures, the additive nature of the heat capacity with composition is less well followed, likely as a result of specific differences in medium-range order. ?? 1993.

Impaired Interlimb Coordination of Voluntary Leg Movements in Poststroke Hemiparesis

PubMed Central

Tseng, Shih-Chiao

2010-01-01

Appropriate interlimb coordination of the lower extremities is particularly important for a variety of functional human motor behaviors such as jumping, kicking a ball, or simply walking. Specific interlimb coordination patterns may be especially impaired after a lesion to the motor system such as stroke, yet this has not been thoroughly examined to date. The purpose of this study was to investigate the motor deficits in individuals with chronic stroke and hemiparesis when performing unilateral versus bilateral inphase versus bilateral antiphase voluntary cyclic ankle movements. We recorded ankle angular trajectories and muscle activity from the dorsiflexors and plantarflexors and compared these between subjects with stroke and a group of healthy age-matched control subjects. Results showed clear abnormalities in both the kinematics and EMG of the stroke subjects, with significant movement degradation during the antiphase task compared with either the unilateral or the inphase task. The abnormalities included prolonged cycle durations, reduced ankle excursions, decreased agonist EMG bursts, and reduced EMG modulation across movement phases. By comparison, the control group showed nearly identical performance across all task conditions. These findings suggest that stroke involving the corticospinal system projection to the leg specifically impairs one or more components of the neural circuitry involved in lower extremity interlimb coordination. The express susceptibility of the antiphase pattern to exaggerated motor deficits could contribute to functional deficits in a number of antiphase leg movement tasks, including walking. PMID:20463199

Network structure and concentration fluctuations in a series of elemental, binary, and tertiary liquids and glasses.

PubMed

Soper, Alan K

2010-10-13

Liquids and glasses continue to produce a lively debate about the nature of the disordered structure in these materials, and whether it is driven by longer range concentration or density fluctuations. One factor often lacking in these studies is an overview of a wide range of structures from which common features of and differences between materials can be identified. Here I examine the structure of a wide range of chain and network, elemental, binary and tertiary liquids and glasses, using available x-ray and neutron diffraction data and combining them with empirical potential structure refinement. Calculation of the Bhatia-Thornton number-number and concentration-concentration structure factors and distribution functions highlights common structural motifs that run through many of the series. It is found that the greatest structural overlap occurs where the nearest-neighbour and second-neighbour coordination numbers are similar for different materials. As these coordination numbers increase, so the structures undergo a sequence of characteristic changes involving increasingly bent bond angle distributions and increased packing fractions. In these regards liquid and amorphous phosphorus appear to be in a structural class of their own, combining both chain-like and network-like characteristics.

MD simulation study of the diffusion and local structure of n-alkanes in liquid and supercritical methanol at infinite dilution.

PubMed

Feng, Huajie; Gao, Wei; Su, Li; Sun, Zhenfan; Chen, Liuping

2017-06-01

The diffusion coefficients of 14 n-alkanes (ranging from methane to n-tetradecane) in liquid and supercritical methanol at infinite dilution (at a pressure of 10.5 MPa and at temperatures of 299 K and 515 K) were deduced via molecular dynamics simulations. Values for the radial distribution function, coordination number, and number of hydrogen bonds were then calculated to explore the local structure of each fluid. The flexibility of the n-alkane (as characterized by the computed dihedral distribution, end-to-end distance, and radius of gyration) was found to be a major influence and hydrogen bonding to be a minor influence on the local structure. Hydrogen bonding reduces the flexibility of the n-alkane, whereas increasing the temperature enhances its flexibility, with temperature having a greater effect than hydrogen bonding on flexibility. Graphical abstract The flexibility of the alkane is a major influence and the hydrogen bonding is a minor influence on the first solvation shell; the coordination numbers of long-chain n-alkanes in the first solvation shell are rather low.

Rational Synthesis of Hollow Prussian Blue Analogue Through Coordination Replication and Controlled-Etching for Cs-Ion Removal.

PubMed

Xu, Jun; Bu, Fan-Xing; Guo, Yi-Fei; Zhang, Wei; Hu, Ming; Jiang, Ji-Sen

2018-05-01

Radioactive cesium pollution have received considerable attention due to the increasing risks in development of the nuclear power plants in the world. Although various functional porous materials are utilized to adsorb Cs+ ions in water, Prussian blue analogues (PBAs) are an impressive class of candidates because of their super affinity of Cs+ ions. The adsorption ability of the PBAs strongly relate to the mesostructure and interstitial sites. To design a hollow PBA with large number of interstitial sites, the traditional hollowing methods are not suitable owing to the difficulty in processing the specific PBAs with large number of interstitial sites. In this work, we empolyed a rational strategy which was to form a "metal oxide"@"PBA" core-shell structure via coordination replication at first, then utilized a mild etching to remove the metal oxide core, led to hollow PBA finally. The obtained hollow PBAs were of high crystallinity and large number of interstitial sites, showing a super adsorption performance for Cs+ ions (221.6 mg/g) within a short period (10 min).

Second Stage Turbine Bucket Airfoil.

DOEpatents

Xu, Liming; Ahmadi, Majid; Humanchuk, David John; Moretto, Nicholas; Delehanty, Richard Edward

2003-05-06

The second-stage buckets have airfoil profiles substantially in accordance with Cartesian coordinate values of X, Y and Z set forth in inches in Table I wherein Z is a perpendicular distance from a plane normal to a radius of the turbine centerline and containing the X and Y values with the Z value commencing at zero in the X, Y plane at the radially innermost aerodynamic section of the airfoil and X and Y are coordinate values defining the airfoil profile at each distance Z. The X, Y and Z values may be scaled as a function of the same constant or number to provide a scaled-up or scaled-down airfoil section for the bucket.

Third-stage turbine bucket airfoil

DOEpatents

Pirolla, Peter Paul; Siden, Gunnar Leif; Humanchuk, David John; Brassfield, Steven Robert; Wilson, Paul Stuart

2002-01-01

The third-stage buckets have airfoil profiles substantially in accordance with Cartesian coordinate values of X, Y and Z set forth in inches in Table I wherein Z is a perpendicular distance from a plane normal to a radius of the turbine centerline and containing the X and Y values with the Z value commencing at zero in the X, Y plane at the radially innermost aerodynamic section of the airfoil and X and Y are coordinates defining the airfoil profile at each distance Z. The X, Y and Z values may be scaled as a function of the same constant or number to provide a scaled-up or scaled-down airfoil section for the bucket.

First-stage high pressure turbine bucket airfoil

DOEpatents

Brown, Theresa A.; Ahmadi, Majid; Clemens, Eugene; Perry, II, Jacob C.; Holiday, Allyn K.; Delehanty, Richard A.; Jacala, Ariel Caesar

2004-05-25

The first-stage buckets have airfoil profiles substantially in accordance with Cartesian coordinate values of X, Y and Z set forth in Table I wherein Z is a perpendicular distance from a plane normal to a radius of the turbine centerline and containing the X and Y values with the Z value commencing at zero in the X, Y plane at the radially innermost aerodynamic section of the airfoil and X and Y are coordinates defining the airfoil profile at each distance Z. The X, Y and Z values may be scaled as a function of the same constant or number to provide a scaled-up or scaled-down airfoil section for the bucket.

Buried chloride stereochemistry in the Protein Data Bank

PubMed Central

2014-01-01

Background Despite the chloride anion is involved in fundamental biological processes, its interactions with proteins are little known. In particular, we lack a systematic survey of its coordination spheres. Results The analysis of a non-redundant set (pairwise sequence identity?

Buried chloride stereochemistry in the Protein Data Bank.

PubMed

Carugo, Oliviero

2014-09-23

Despite the chloride anion is involved in fundamental biological processes, its interactions with proteins are little known. In particular, we lack a systematic survey of its coordination spheres. The analysis of a non-redundant set (pairwise sequence identity < 30%) of 1739 high resolution (<2 Å) crystal structures that contain at least one chloride anion shows that the first coordination spheres of the chlorides are essentially constituted by hydrogen bond donors. Amongst the side-chains positively charged, arginine interacts with chlorides much more frequently than lysine. Although the most common coordination number is 4, the coordination stereochemistry is closer to the expected geometry when the coordination number is 5, suggesting that this is the coordination number towards which the chlorides tend when they interact with proteins. The results of these analyses are useful in interpreting, describing, and validating new protein crystal structures that contain chloride anions.

Coordinating Numeric and Linear Units: Elementary Students' Strategies for Locating Whole Numbers on the Number Line

ERIC Educational Resources Information Center

Saxe, Geoffrey B.; Shaughnessy, Meghan M.; Gearhart, Maryl; Haldar, Lina Chopra

2013-01-01

Two investigations of fifth graders' strategies for locating whole numbers on number lines revealed patterns in students' coordination of numeric and linear units. In Study 1, we investigated the effects of context on students' placements of three numbers on an open number line. For one group ("n"?=?24), the line was presented in a…

Graphene oxide coated coordination polymer nanobelt composite material: a new type of visible light active and highly efficient photocatalyst for Cr(VI) reduction.

PubMed

Shi, Gui-Mei; Zhang, Bin; Xu, Xin-Xin; Fu, Yan-Hong

2015-06-28

A visible light active photocatalyst was synthesized successfully by coating graphene oxide (GO) on a coordination polymer nanobelt (CPNB) using a simple colloidal blending process. Compared with neat CPNB, the resulting graphene oxide coated coordination polymer nanobelt composite material (GO/CPNB) exhibits excellent photocatalytic efficiency in the reduction of K2Cr2O7 under visible light irradiation. In the composite material, GO performs two functions. Firstly, it cuts down the band gap (E(g)) of the photocatalyst and extends its photoresponse region from the ultraviolet to visible light region. Secondly, GO exhibits excellent electron transportation ability that impedes its recombination with holes, and this can enhance photocatalytic efficiency. For GO, on its surface, the number of functional groups has a great influence on the photocatalytic performance of the resulting GO/CPNB composite material and an ideal GO"coater" to obtain a highly efficient GO/CPNB photocatalyst has been obtained. As a photocatalyst that may be used in the treatment of Cr(VI) in wastewater, GO/CPNB exhibited outstanding stability during the reduction of this pollutant.

Traction-free vibrations of finite trigonal elastic cylinders.

PubMed

Heyliger, Paul R; Johnson, Ward L

2003-04-01

The unrestrained, traction-free vibrations of finite elastic cylinders with trigonal material symmetry are studied using two approaches, based on the Ritz method, which formulate the weak form of the equations of motion in cylindrical and rectangular coordinates. Elements of group theory are used to divide approximation functions into orthogonal subsets, thus reducing the size of the computational problem and classifying the general symmetries of the vibrational modes. Results for the special case of an isotropic cylinder are presented and compared with values published by other researchers. For the isotropic case, the relative accuracy of the formulations in cylindrical and rectangular coordinates can be evaluated, because exact analytical solutions are known for the torsional modes. The calculation in cylindrical coordinates is found to be more accurate for a given number of terms in the series approximation functions. For a representative trigonal material, langatate, calculations of the resonant frequencies and the sensitivity of the frequencies on each of the elastic constants are presented. The dependence on geometry (ratio of length to diameter) is briefly explored. The special case of a transversely isotropic cylinder (with the elastic stiffness C14 equal to zero) is also considered.

The nature and impact of conflict within service coordination teams for children and adolescents with serious emotional and behavioral challenges.

PubMed

Wright, Eric R; Wright, Dustin E; Kooreman, Harold E; Anderson, Jeffrey A

2006-05-01

While both theory and empirical research regarding work team performance suggests that conflict can play an important role in determining productivity and other outcomes, the impact of conflict on the effectiveness of service coordination teams is not well understood. In this study, the team records and charts of 189 young people maintained by service coordinators in a system of care initiative were analyzed to identify the number of intra-team conflicts, the participants involved in each conflict, the theme of each conflict and their relationship with the likelihood that young people were successful in meeting their treatment goals. Findings indicate that interpersonal concerns and concerns about team member follow-through were the most frequent types of conflict. More important, our analyses suggest that more frequent conflicts significantly increased the likelihood that a child and family team (CFT) was unsuccessful in helping the youth and family achieve the desired treatment goals. The results underline the need for further research on how structure and functioning of services coordination teams impact youth and family outcomes.

Care coordination, the family-centered medical home, and functional disability among children with special health care needs.

PubMed

Litt, Jonathan S; McCormick, Marie C

2015-01-01

Children with special health care needs (CSHCN) are at increased risk for functional disabilities. Care coordination has been shown to decrease unmet health service use but has yet been shown to improve functional status. We hypothesize that care coordination services lower the odds of functional disability for CSHCN and that this effect is greater within the context of a family-centered medical home. A secondary objective was to test the mediating effect of unmet care needs on functional disability. Our sample included children ages 0 to 17 years participating the 2009-2010 National Survey of Children with Special Health Care Needs. Care coordination, unmet needs, and disability were measured by parent report. We used logistic regression models with covariate adjustment for confounding and a mediation analysis approach for binary outcomes to assess the effect of unmet needs. There were 34,459 children in our sample. Care coordination was associated with lower odds of having a functional disability (adjusted odds ratio 0.82, 95% confidence interval 0.77, 0.88). This effect was greater for care coordination in the context of a medical home (adjusted odds ratio 0.71, 95% confidence interval 0.66, 0.76). The relationship between care coordination and functional disability was mediated by reducing unmet services. Care coordination is associated with lower odds of functional disability among CSHCN, especially when delivered in the setting of a family-centered medical home. Reducing unmet service needs mediates this effect. Our findings support a central role for coordination services in improving outcomes for vulnerable children. Copyright © 2015 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

Collision-free motion planning for fiber positioner robots: discretization of velocity profiles

NASA Astrophysics Data System (ADS)

Makarem, Laleh; Kneib, Jean-Paul; Gillet, Denis; Bleuler, Hannes; Bouri, Mohamed; Hörler, Philippe; Jenni, Laurent; Prada, Francisco; Sánchez, Justo

2014-07-01

The next generation of large-scale spectroscopic survey experiments such as DESI, will use thousands of fiber positioner robots packed on a focal plate. In order to maximize the observing time with this robotic system we need to move in parallel the fiber-ends of all positioners from the previous to the next target coordinates. Direct trajectories are not feasible due to collision risks that could undeniably damage the robots and impact the survey operation and performance. We have previously developed a motion planning method based on a novel decentralized navigation function for collision-free coordination of fiber positioners. The navigation function takes into account the configuration of positioners as well as their envelope constraints. The motion planning scheme has linear complexity and short motion duration (2.5 seconds with the maximum speed of 30 rpm for the positioner), which is independent of the number of positioners. These two key advantages of the decentralization designate the method as a promising solution for the collision-free motion-planning problem in the next-generation of fiber-fed spectrographs. In a framework where a centralized computer communicates with the positioner robots, communication overhead can be reduced significantly by using velocity profiles consisting of a few bits only. We present here the discretization of velocity profiles to ensure the feasibility of a real-time coordination for a large number of positioners. The modified motion planning method that generates piecewise linearized position profiles guarantees collision-free trajectories for all the robots. The velocity profiles fit few bits at the expense of higher computational costs.

Disruption of reciprocal coordination by a medial frontal stroke sparing the corpus callosum.

PubMed

Kluger, Benzi M; Heilman, Kenneth M

2007-12-01

Aleksandr Luria described several tests of higher motor function, including the "reciprocal coordination" test of bimanual coordination. Although these tests are commonly used to assess frontal lobe function, their specific neuroanatomic underpinnings are not completely understood. We describe a man with a medial frontal stroke sparing the corpus callosum with a defect in Luria's reciprocal coordination test but otherwise intact motor abilities, including other tests of higher motor function.

Pulmonary Function in Children with Development Coordination Disorder

ERIC Educational Resources Information Center

Wu, Sheng K.; Cairney, John; Lin, Hsiao-Hui; Li, Yao-Chuen; Song, Tai-Fen

2011-01-01

The purpose of this study was to compare pulmonary function in children with developmental coordination disorder (DCD) with children who are typically developing (TD), and also analyze possible gender differences in pulmonary function between these groups. The Movement ABC test was used to identify the movement coordination ability of children.…

Functional dissection of the paired domain of Pax6 reveals molecular mechanisms of coordinating neurogenesis and proliferation

PubMed Central

Walcher, Tessa; Xie, Qing; Sun, Jian; Irmler, Martin; Beckers, Johannes; Öztürk, Timucin; Niessing, Dierk; Stoykova, Anastassia; Cvekl, Ales; Ninkovic, Jovica; Götz, Magdalena

2013-01-01

To achieve adequate organ development and size, cell proliferation and differentiation have to be tightly regulated and coordinated. The transcription factor Pax6 regulates patterning, neurogenesis and proliferation in forebrain development. The molecular basis of this regulation is not well understood. As the bipartite DNA-binding paired domain of Pax6 regulates forebrain development, we examined mice with point mutations in its individual DNA-binding subdomains PAI (Pax6Leca4, N50K) and RED (Pax6Leca2, R128C). This revealed distinct roles in regulating proliferation in the developing cerebral cortex, with the PAI and RED subdomain mutations reducing and increasing, respectively, the number of mitoses. Conversely, neurogenesis was affected only by the PAI subdomain mutation, phenocopying the neurogenic defects observed in full Pax6 mutants. Genome-wide expression profiling identified molecularly discrete signatures of Pax6Leca4 and Pax6Leca2 mutations. Comparison to Pax6 targets identified by chromatin immunoprecipitation led to the identification and functional characterization of distinct DNA motifs in the promoters of target genes dysregulated in the Pax6Leca2 or Pax6Leca4 mutants, further supporting the distinct regulatory functions of the DNA-binding subdomains. Thus, Pax6 achieves its key roles in the developing forebrain by utilizing particular subdomains to coordinate patterning, neurogenesis and proliferation simultaneously. PMID:23404109

On families of differential equations on two-torus with all phase-lock areas

NASA Astrophysics Data System (ADS)

Glutsyuk, Alexey; Rybnikov, Leonid

2017-01-01

We consider two-parametric families of non-autonomous ordinary differential equations on the two-torus with coordinates (x, t) of the type \\overset{\\centerdot}{{x}} =v(x)+A+Bf(t) . We study its rotation number as a function of the parameters (A, B). The phase-lock areas are those level sets of the rotation number function ρ =ρ (A,B) that have non-empty interiors. Buchstaber, Karpov and Tertychnyi studied the case when v(x)=\\sin x in their joint paper. They observed the quantization effect: for every smooth periodic function f(t) the family of equations may have phase-lock areas only for integer rotation numbers. Another proof of this quantization statement was later obtained in a joint paper by Ilyashenko, Filimonov and Ryzhov. This implies a similar quantization effect for every v(x)=a\\sin (mx)+b\\cos (mx)+c and rotation numbers that are multiples of \\frac{1}{m} . We show that for every other analytic vector field v(x) (i.e. having at least two Fourier harmonics with non-zero non-opposite degrees and nonzero coefficients) there exists an analytic periodic function f(t) such that the corresponding family of equations has phase-lock areas for all the rational values of the rotation number.

DC Microgrids–Part I: A Review of Control Strategies and Stabilization Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dragicevic, Tomislav; Lu, Xiaonan; Vasquez, Juan

2015-01-01

This paper presents a review of control strategies, stability analysis, and stabilization techniques for dc microgrids (MGs). Overall control is systematically classified into local and coordinated control levels according to respective functionalities in each level. As opposed to local control, which relies only on local measurements, some line of communication between units needs to be made available in order to achieve the coordinated control. Depending on the communication method, three basic coordinated control strategies can be distinguished, i.e., decentralized, centralized, and distributed control. Decentralized control can be regarded as an extension of the local control since it is also basedmore » exclusively on local measurements. In contrast, centralized and distributed control strategies rely on digital communication technologies. A number of approaches using these three coordinated control strategies to achieve various control objectives are reviewed in this paper. Moreover, properties of dc MG dynamics and stability are discussed. This paper illustrates that tightly regulated point-of-load converters tend to reduce the stability margins of the system since they introduce negative impedances, which can potentially oscillate with lightly damped power supply input filters. It is also demonstrated that how the stability of the whole system is defined by the relationship of the source and load impedances, referred to as the minor loop gain. Several prominent specifications for the minor loop gain are reviewed. Finally, a number of active stabilization techniques are presented.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnston, Ryne C.; Zhou, Jing; Smith, Jeremy C.

In redox processes in complex transition metal-containing species are often intimately associated with changes in ligand protonation states and metal coordination number. Moreover, a major challenge is therefore to develop consistent computational approaches for computing pH-dependent redox and ligand dissociation properties of organometallic species. Reduction of the Co center in the vitamin B12 derivative aquacobalamin can be accompanied by ligand dissociation, protonation, or both, making these properties difficult to compute accurately. We examine this challenge here by using density functional theory and continuum solvation to compute Co ligand binding equilibrium constants (Kon/off), pKas and reduction potentials for models of aquacobalaminmore » in aqueous solution. We consider two models for cobalamin ligand coordination: the first follows the hexa, penta, tetra coordination scheme for Co III, Co II, and Co I species, respectively, and the second model features saturation of each vacant axial coordination site on Co II and Co I species with a single, explicit water molecule to maintain six directly interacting ligands or water molecules in each oxidation state. Comparing these two coordination schemes in combination with five dispersion-corrected density functionals, we find that the accuracy of the computed properties is largely independent of the scheme used, but including only a continuum representation of the solvent yields marginally better results than saturating the first solvation shell around Co throughout. PBE performs best, displaying balanced accuracy and superior performance overall, with RMS errors of 80 mV for seven reduction potentials, 2.0 log units for five pK as and 2.3 log units for two log K on/off values for the aquacobalamin system. Furthermore, we find that the BP86 functional commonly used in corrinoid studies suffers from erratic behavior and inaccurate descriptions of Co axial ligand binding, leading to substantial errors in predicted pK as and K on/off values. Finally, these findings demonstrate the effectiveness of the present approach for computing electrochemical and thermodynamic properties of a complex transition metal-containing cofactor.« less

Defect in the Joint Spectrum of Hydrogen due to Monodromy.

PubMed

Dullin, Holger R; Waalkens, Holger

2018-01-12

In addition to the well-known case of spherical coordinates, the Schrödinger equation of the hydrogen atom separates in three further coordinate systems. Separating in a particular coordinate system defines a system of three commuting operators. We show that the joint spectrum of the Hamilton operator, the z component of the angular momentum, and an operator involving the z component of the quantum Laplace-Runge-Lenz vector obtained from separation in prolate spheroidal coordinates has quantum monodromy for energies sufficiently close to the ionization threshold. The precise value of the energy above which monodromy is observed depends on the distance of the focus points of the spheroidal coordinates. The presence of monodromy means that one cannot globally assign quantum numbers to the joint spectrum. Whereas the principal quantum number n and the magnetic quantum number m correspond to the Bohr-Sommerfeld quantization of globally defined classical actions a third quantum number cannot be globally defined because the third action is globally multivalued.

Combined quantum mechanics and molecular mechanics simulation of Ca2+/ammonia solution based on the ONIOM-XS method: Octahedral coordination and implication to biology

NASA Astrophysics Data System (ADS)

Kerdcharoen, Teerakiat; Morokuma, Keiji

2003-05-01

An extension of the ONIOM (Own N-layered Integrated molecular Orbital and molecular Mechanics) method [M. Svensson, S. Humbel, R. D. J. Froese, T. Mutsubara, S. Sieber, and K. Morokuma, J. Phys. Chem. 100, 19357 (1996)] for simulation in the condensed phase, called ONIOM-XS (XS=eXtension to Solvation) [T. Kerdcharoen and K. Morokuma, Chem. Phys. Lett. 355, 257 (2002)], was applied to investigate the coordination of Ca2+ in liquid ammonia. A coordination number of 6 is found. Previous simulations based on pair potential or pair potential plus three-body correction gave values of 9 and 8.2, respectively. The new value is the same as the coordination number most frequently listed in the Cambridge Structural Database (CSD) and Protein Data Bank (PDB). N-Ca-N angular distribution reveals a near-octahedral coordination structure. Inclusion of many-body interactions (which amounts to 25% of the pair interactions) into the potential energy surface is essential for obtaining reasonable coordination number. Analyses of the metal coordination in water, water-ammonia mixture, and in proteins reveals that cation/ammonia solution can be used to approximate the coordination environment in proteins.

The MYO6 interactome reveals adaptor complexes coordinating early endosome and cytoskeletal dynamics.

PubMed

O'Loughlin, Thomas; Masters, Thomas A; Buss, Folma

2018-04-01

The intracellular functions of myosin motors requires a number of adaptor molecules, which control cargo attachment, but also fine-tune motor activity in time and space. These motor-adaptor-cargo interactions are often weak, transient or highly regulated. To overcome these problems, we use a proximity labelling-based proteomics strategy to map the interactome of the unique minus end-directed actin motor MYO6. Detailed biochemical and functional analysis identified several distinct MYO6-adaptor modules including two complexes containing RhoGEFs: the LIFT (LARG-Induced F-actin for Tethering) complex that controls endosome positioning and motility through RHO-driven actin polymerisation; and the DISP (DOCK7-Induced Septin disPlacement) complex, a novel regulator of the septin cytoskeleton. These complexes emphasise the role of MYO6 in coordinating endosome dynamics and cytoskeletal architecture. This study provides the first in vivo interactome of a myosin motor protein and highlights the power of this approach in uncovering dynamic and functionally diverse myosin motor complexes. © 2018 The Authors. Published under the terms of the CC BY 4.0 license.

Porphyrin framework solids. Synthesis and structure of hybrid coordination polymers of tetra(carboxyphenyl)porphyrins and lanthanide-bridging ions.

PubMed

Muniappan, Sankar; Lipstman, Sophia; George, Sumod; Goldberg, Israel

2007-07-09

New types of porphyrin-based framework solids were constructed by reacting meso-tetra(3-carboxyphenyl)porphyrin and meso-tetra(4-carboxyphenyl)metalloporphyrins with common salts of lanthanide metal ions. The large size, high coordination numbers and strong affinity for oxo ligands of the latter, combined with favorable hydrothermal reaction conditions, allowed the formation of open three-dimensional single-framework architectures by coordination polymerization, in which the tetradentate porphyrin units are intercoordinated by multinuclear assemblies of the bridging metal ions. The latter serve as construction pillars of the supramolecular arrays, affording stable structures. Several modes of coordination polymerization were revealed by single-crystal X-ray diffraction. They differ by the spatial functionality of the porphyrin building blocks, the coordination patterns of the lanthanide-carboxylate assemblies, and the topology of the resulting frameworks. The seven new reported structures exhibit periodically spaced 0.4-0.6 nm wide channel voids that perforate the respective crystalline polymeric architectures and are accessible to solvent components. Materials based on the m-carboxyphenyl derivative reveal smaller channels than those based on the p-carboxyphenyl analogues. An additional complex of the former with a smaller third-row transition metal (Co) is characterized by coordination connectivity in two dimensions only. Thermal and powder-diffraction analyses confirm the stability of the lanthanide-TmCPP (TmCPP=tetra(m-carboxyphenyl)porphyrin) frameworks.

Job satisfaction and importance for intensive care unit research coordinators: results from binational survey.

PubMed

Rickard, Claire M; Roberts, Brigit L; Foote, Jonathon; McGrail, Matthew R

2007-09-01

To measure Intensive Care Unit Research coordinator job satisfaction and importance and to identify priorities for role development. Research coordinator numbers are growing internationally in response to increasing clinical research activity. In Australia, 1% of registered nurses work principally in research, many as Research coordinators. Internationally, the Association of Clinical Research Professionals currently has 6536 certified Research coordinators in 13 countries, with likely additional large numbers practicing without the voluntary certification. Research coordinators are almost always nurses, but little is know about this emerging specialty. Design. Cross-sectional study using anonymous self-report questionnaire. After ethics approval, the McCloskey-Mueller Satisfaction Scale and McCloskey-Mueller Importance Scale were administered via the Internet. The sample was 49 (response rate 71%) Research coordinators from the Australia and New Zealand Intensive Care Unit Research coordinators' Interest Group. Research coordinators were satisfied with structural aspects of the position working business hours; flexibility of working hours; high levels of responsibility and control over their work. Dissatisfaction was expressed regarding: remuneration and recognition; compensation for weekend work; salary package; career advancement opportunities; and childcare facilities. High priorities for role development are those rated highly important but with much lower satisfaction. These are: compensation for weekend call-out work; salary and remuneration package; recognition by management and clinicians; career advancement opportunities; departmental research processes; encouragement and feedback; and number of working hours. Increasing numbers of nurses have been attracted to this clinically based research position. These data contribute to the understanding and development of the role.

Cooperative functions of duetting behaviour in tropical wrens

NASA Astrophysics Data System (ADS)

Kovach, Kristin Ashley

Vocal duets occur when two breeding partners coordinate their songs into a joint display. Duetting serves functions both within and between pairs, and functionality is often context dependent. I explore the function of temporal coordination of male and female songs into duets, testing the hypothesis that coordinated duets are more threatening territorial signals than poorly coordinated duets or solos in three closely related species of wren. Results indicate that birds respond with similar levels of physical aggression to all three levels of coordination; however, they sing more duets in response to both categories of duets. I also explore duets and other vocalizations as they are used during breeding, testing the hypothesis that duets play a role in coordinating nest visitation. Contrary to my predictions, the birds sang the most duets during the incubation stage. My results suggest that duets are used for both territory defence and communication at the nest.

Investigation of rubidium(I) ion solvation in liquid ammonia using QMCF-MD simulation and NBO analysis of first solvation shell structure.

PubMed

Hidayat, Yuniawan; Armunanto, Ria; Pranowo, Harno Dwi

2018-04-27

Rb(I) ion solvation in liquid ammonia has been studied by an ab initio quantum mechanical charge field molecular dynamics simulation, and the first solvation shell structure has been analyzed using natural bond orbital. The simulation was performed for an ion and 593 ammonia molecules in a box with a length of 29.03 Å corresponding to a liquid ammonia density of 0.69 g/mL at 235.16 K. The quantum mechanical calculation was carried out for atomic interactions in the radius of 6.4 Å from the ion using LANL2DZ ECP and DZP (Dunning) basis sets for Rb(I) ion and ammonia respectively. The trajectories of the simulation were analyzed in terms of radial, angular, and coordination number distribution functions, vibration, and mean residence time (MRT). Two solvation shell regions are observed for the Rb(I)-N as well as the Rb(I)-H. The maximum distance of Rb(I)-N in the first solvation shell is in accordance with experimental data where a coordination number of 8 is favorable. A non-single coordination number of the first and second shell indicates dynamic solvation structure. It is confirmed by frequent exchange ligand processes observed within a simulation time of 15 ps. The low stabilization energy of donor acceptor ion-ligand interaction with a small Wiberg bond index affirms that the Rb(I)-NH 3 interaction is weak electrostatically.

Flow analysis for efficient design of wavy structured microchannel mixing devices

NASA Astrophysics Data System (ADS)

Kanchan, Mithun; Maniyeri, Ranjith

2018-04-01

Microfluidics is a rapidly growing field of applied research which is strongly driven by demands of bio-technology and medical innovation. Lab-on-chip (LOC) is one such application which deals with integrating bio-laboratory on micro-channel based single fluidic chip. Since fluid flow in such devices is restricted to laminar regime, designing an efficient passive modulator to induce chaotic mixing for such diffusion based flow is a major challenge. In the present work two-dimensional numerical simulation of viscous incompressible flow is carried out using immersed boundary method (IBM) to obtain an efficient design for wavy structured micro-channel mixing devices. The continuity and Navier-Stokes equations governing the flow are solved by fractional step based finite volume method on a staggered Cartesian grid system. IBM uses Eulerian co-ordinates to describe fluid flow and Lagrangian co-ordinates to describe solid boundary. Dirac delta function is used to couple both these co-ordinate variables. A tether forcing term is used to impose the no-slip boundary condition on the wavy structure and fluid interface. Fluid flow analysis by varying Reynolds number is carried out for four wavy structure models and one straight line model. By analyzing fluid accumulation zones and flow velocities, it can be concluded that straight line structure performs better mixing for low Reynolds number and Model 2 for higher Reynolds number. Thus wavy structures can be incorporated in micro-channels to improve mixing efficiency.

Boundary-fitted curvilinear coordinate systems for solution of partial differential equations on fields containing any number of arbitrary two-dimensional bodies

NASA Technical Reports Server (NTRS)

Thompson, J. F.; Thames, F. C.; Mastin, C. W.

1977-01-01

A method is presented for automatic numerical generation of a general curvilinear coordinate system with coordinate lines coincident with all boundaries of a general multi-connected two-dimensional region containing any number of arbitrarily shaped bodies. No restrictions are placed on the shape of the boundaries, which may even be time-dependent, and the approach is not restricted in principle to two dimensions. With this procedure the numerical solution of a partial differential system may be done on a fixed rectangular field with a square mesh with no interpolation required regardless of the shape of the physical boundaries, regardless of the spacing of the curvilinear coordinate lines in the physical field, and regardless of the movement of the coordinate system in the physical plane. A number of examples of coordinate systems and application thereof to the solution of partial differential equations are given. The FORTRAN computer program and instructions for use are included.

On Modeling and Analysis of MIMO Wireless Mesh Networks with Triangular Overlay Topology

DOE PAGES

Cao, Zhanmao; Wu, Chase Q.; Zhang, Yuanping; ...

2015-01-01

Multiple input multiple output (MIMO) wireless mesh networks (WMNs) aim to provide the last-mile broadband wireless access to the Internet. Along with the algorithmic development for WMNs, some fundamental mathematical problems also emerge in various aspects such as routing, scheduling, and channel assignment, all of which require an effective mathematical model and rigorous analysis of network properties. In this paper, we propose to employ Cartesian product of graphs (CPG) as a multichannel modeling approach and explore a set of unique properties of triangular WMNs. In each layer of CPG with a single channel, we design a node coordinate scheme thatmore » retains the symmetric property of triangular meshes and develop a function for the assignment of node identity numbers based on their coordinates. We also derive a necessary-sufficient condition for interference-free links and combinatorial formulas to determine the number of the shortest paths for channel realization in triangular WMNs.« less

Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.

PubMed

Kritayakornupong, Chinapong; Plankensteiner, Kristof; Rode, Bernd M

2004-10-01

Structural and dynamical properties of the Cr(III) ion in aqueous solution have been investigated using a combined ab initio quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation. The hydration structure of Cr(III) was determined in terms of radial distribution functions, coordination numbers, and angular distributions. The QM/MM simulation gives coordination numbers of 6 and 15.4 for the first and second hydration shell, respectively. The first hydration shell is kinetically very inert but by no means rigid and variations of the first hydration shell geometry lead to distinct splitting in the vibrational spectra of Cr(H(2)O)(6) (3+). A mean residence time of 22 ps was obtained for water ligands residing in the second hydration shell, which is remarkably shorter than the experimentally estimated value. The hydration energy of -1108 +/- 7 kcal/mol, obtained from the QM/MM simulation, corresponds well to the experimental hydration enthalpy value. Copyright 2004 Wiley Periodicals, Inc.

7 CFR Exhibit K to Subpart G of... - Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators

Code of Federal Regulations, 2013 CFR

2013-01-01

... Wildlife Service's Wetland Coordinators K Exhibit K to Subpart G of Part 1940 Agriculture Regulations of... Part 1940—Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators The U.S. Fish and Wildlife Service (FWS) is presently preparing the National Wetlands Inventory. Each...

7 CFR Exhibit K to Subpart G of... - Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators

Code of Federal Regulations, 2010 CFR

2010-01-01

... Wildlife Service's Wetland Coordinators K Exhibit K to Subpart G of Part 1940 Agriculture Regulations of... Part 1940—Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators The U.S. Fish and Wildlife Service (FWS) is presently preparing the National Wetlands Inventory. Each...

7 CFR Exhibit K to Subpart G of... - Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators

Code of Federal Regulations, 2012 CFR

2012-01-01

... Wildlife Service's Wetland Coordinators K Exhibit K to Subpart G of Part 1940 Agriculture Regulations of... Part 1940—Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators The U.S. Fish and Wildlife Service (FWS) is presently preparing the National Wetlands Inventory. Each...

7 CFR Exhibit K to Subpart G of... - Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators

Code of Federal Regulations, 2011 CFR

2011-01-01

... Wildlife Service's Wetland Coordinators K Exhibit K to Subpart G of Part 1940 Agriculture Regulations of... Part 1940—Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators The U.S. Fish and Wildlife Service (FWS) is presently preparing the National Wetlands Inventory. Each...

7 CFR Exhibit K to Subpart G of... - Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators

Code of Federal Regulations, 2014 CFR

2014-01-01

... Wildlife Service's Wetland Coordinators K Exhibit K to Subpart G of Part 1940 Agriculture Regulations of... Part 1940—Locations and Telephone Numbers of U.S. Fish and Wildlife Service's Wetland Coordinators The U.S. Fish and Wildlife Service (FWS) is presently preparing the National Wetlands Inventory. Each...

Instant messaging at the hospital: supporting articulation work?

PubMed

Iversen, Tobias Buschmann; Melby, Line; Toussaint, Pieter

2013-09-01

Clinical work is increasingly fragmented and requires extensive articulation and coordination. Computer systems may support such work. In this study, we investigate how instant messaging functions as a tool for supporting articulation work at the hospital. This paper aims to describe the characteristics of instant messaging communication in terms of number and length of messages, distribution over time, and the number of participants included in conversations. We also aim to determine what kind of articulation work is supported by analysing message content. Analysis of one month's worth of instant messages sent through the perioperative coordination and communication system at a Danish hospital. Instant messaging was found to be used extensively for articulation work, mostly through short, simple conversational exchanges. It is used particularly often for communication concerning the patient, specifically, the coordination and logistics of patient care. Instant messaging is used by all actors involved in the perioperative domain. Articulation work and clinical work are hard to separate in a real clinical setting. Predefined messages and strict workflow design do not suffice when supporting communication in the context of collaborative clinical work. Flexibility is of vital importance, and this needs to be reflected in the design of supportive communication systems. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Coordinate based random effect size meta-analysis of neuroimaging studies.

PubMed

Tench, C R; Tanasescu, Radu; Constantinescu, C S; Auer, D P; Cottam, W J

2017-06-01

Low power in neuroimaging studies can make them difficult to interpret, and Coordinate based meta-analysis (CBMA) may go some way to mitigating this issue. CBMA has been used in many analyses to detect where published functional MRI or voxel-based morphometry studies testing similar hypotheses report significant summary results (coordinates) consistently. Only the reported coordinates and possibly t statistics are analysed, and statistical significance of clusters is determined by coordinate density. Here a method of performing coordinate based random effect size meta-analysis and meta-regression is introduced. The algorithm (ClusterZ) analyses both coordinates and reported t statistic or Z score, standardised by the number of subjects. Statistical significance is determined not by coordinate density, but by a random effects meta-analyses of reported effects performed cluster-wise using standard statistical methods and taking account of censoring inherent in the published summary results. Type 1 error control is achieved using the false cluster discovery rate (FCDR), which is based on the false discovery rate. This controls both the family wise error rate under the null hypothesis that coordinates are randomly drawn from a standard stereotaxic space, and the proportion of significant clusters that are expected under the null. Such control is necessary to avoid propagating and even amplifying the very issues motivating the meta-analysis in the first place. ClusterZ is demonstrated on both numerically simulated data and on real data from reports of grey matter loss in multiple sclerosis (MS) and syndromes suggestive of MS, and of painful stimulus in healthy controls. The software implementation is available to download and use freely. Copyright © 2017 Elsevier Inc. All rights reserved.

Second-stage turbine bucket airfoil

DOEpatents

Wang, John Zhiqiang; By, Robert Romany; Sims, Calvin L.; Hyde, Susan Marie

2002-01-01

The second-stage buckets have airfoil profiles substantially in accordance with Cartesian coordinate values of X, Y and Z set forth in inches in Table I wherein Z is a perpendicular distance from a plane normal to a radius of the turbine centerline and containing the X and Y values with the Z value commencing at zero in the X, Y plane at the radially innermost aerodynamic section of the airfoil and X and Y are coordinate values defining the airfoil profile at each distance Z. The X and Y values may be scaled as a function of the same constant or number to provide a scaled-up or scaled-down airfoil section for the bucket. The second-stage wheel has sixty buckets.

Third Party Services for Enabling Business-to-Business Interactions

NASA Astrophysics Data System (ADS)

Shrivastava, Santosh

Business-to-business (B2B) interactions concerned with the fulfilment of a given business function (e.g., order processing) requires business partners to exchange electronic business documents and to act on them. This activity can be viewed as the business partners taking part in the execution of a shared business process, where each partner is responsible for performing their part in the process. Naturally, business process executions at each partner must be coordinated at run-time to ensure that the partners are performing mutually consistent actions (e.g., the seller is not hipping a product when the corresponding order has been cancelled by the buyer). A number of factors combine to make the task of business process coordination surprisingly hard:

Lanthanide tris(β-diketonates) as useful probes for chirality determination of biological amino alcohols in vibrational circular dichroism: ligand to ligand chirality transfer in lanthanide coordination sphere.

PubMed

Miyake, Hiroyuki; Terada, Keiko; Tsukube, Hiroshi

2014-06-01

A series of lanthanide tris(β-diketonates) functioned as useful chirality probes in the vibrational circular dichroism (VCD) characterization of biological amino alcohols. Various chiral amino alcohols induced intense VCD signals upon ternary complexation with racemic lanthanide tris(β-diketonates). The VCD signals observed around 1500 cm(-1) (β-diketonate IR absorption region) correlated well with the stereochemistry and enantiomeric purity of the targeted amino alcohol, while the corresponding monoalcohol, monoamine, and diol substrates induced very weak VCD signals. The high-coordination number and dynamic property of the lanthanide complex offer an effective chirality VCD probing of biological substrates. © 2014 Wiley Periodicals, Inc.

Interphase Transformations at Metal (Copper, Iron)-Polymer Gel-Electrolyte Interfaces

NASA Astrophysics Data System (ADS)

Lyamina, G. V.; Dubinina, O. V.; Vaitulevich, E. A.; Mokrousov, G. M.

2018-07-01

The results from studies of the interface boundaries between metals (copper and iron) and gel electrolyte based on methacrylic copolymers are organized systematically. In contrast to processes in liquid electrolytes, a number of key features of the reactions that occur at such interfaces are revealed: a diffusion limiting stage; a lack of reverse reactions; and the formation of coordination compounds of metal ions with the functional groups of polymers, the stabilities of which are several orders of magnitude greater than that of coordination with their low-molecular weight counterparts. It is shown that processes which employ polymeric organogels can be used for the careful cleaning of the metal surfaces, and for the formation of a desired phase composition on the latter.

Improvement of Simulation Method in Validation of Software of the Coordinate Measuring Systems

NASA Astrophysics Data System (ADS)

Nieciąg, Halina

2015-10-01

Software is used in order to accomplish various tasks at each stage of the functioning of modern measuring systems. Before metrological confirmation of measuring equipment, the system has to be validated. This paper discusses the method for conducting validation studies of a fragment of software to calculate the values of measurands. Due to the number and nature of the variables affecting the coordinate measurement results and the complex character and multi-dimensionality of measurands, the study used the Monte Carlo method of numerical simulation. The article presents an attempt of possible improvement of results obtained by classic Monte Carlo tools. The algorithm LHS (Latin Hypercube Sampling) was implemented as alternative to the simple sampling schema of classic algorithm.

Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

NASA Astrophysics Data System (ADS)

Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

2018-05-01

This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

Effect of the atmosphere on the color coordinates of sunlit surfaces

NASA Astrophysics Data System (ADS)

Willers, Cornelius J.; Viljoen, Johan W.

2016-02-01

Aerosol attenuation in the atmosphere has a relatively weak spectral variation compared to molecular absorption. However, the solar spectral irradiance differs considerably for the sun at high zenith angles versus the sun at low zenith angles. The perceived color of a sunlit object depends on the object's spectral reflectivity as well as the irradiance spectrum. The color coordinates of the sunlit object, hence also the color balance in a scene, shift with changes in the solar zenith angle. The work reported here does not claim accurate color measurement. With proper calibration mobile phones may provide reasonably accurate color measurement, but the mobile phones used for taking these pictures and videos are not scientific instruments and were not calibrated. The focus here is on the relative shift of the observed colors, rather than absolute color. The work in this paper entails the theoretical analysis of color coordinates of surfaces and how they change for different colored surfaces. Then follows three separate investigations: (1) Analysis of a number of detailed atmospheric radiative transfer code (Modtran) runs to show from the theory how color coordinates should change. (2) Analysis of a still image showing how the colors of two sample surfaces vary between sunlit and shaded areas. (3) Time lapse video recordings showing how the color coordinates of a few surfaces change as a function of time of day. Both the theoretical and experimental work shows distinct shifts in color as function of atmospheric conditions. The Modtran simulations demonstrate the effect from clear atmospheric conditions (no aerosol) to low visibility conditions (5 km visibility). Even under moderate atmospheric conditions the effect was surprisingly large. The experimental work indicated significant shifts during the diurnal cycle.

Remote site-selective C–H activation directed by a catalytic bifunctional template

PubMed Central

Zhang, Zhipeng; Tanaka, Keita; Yu, Jin-Quan

2017-01-01

Converting C–H bonds directly into carbon-carbon and carbon-heteroatom bonds can significantly improve step-economy in synthesis by providing alternative disconnections to traditional functional group manipulations. In this context, directed C–H activation reactions have been extensively explored for regioselective functionalization1-5. Though applicability can be severely curtailed by distance from the directing group and the shape of the molecule, a number of approaches have been developed to overcome this limitation6-12. For instance, recognition of the distal and geometric relationship between an existing functional group and multiple C–H bonds has recently been exploited to achieve meta-selective C–H activation by use of a covalently attached U-shaped template13-17. However, stoichiometric installation of the template is not feasible in the absence of an appropriate functional group handle. Here we report the design of a catalytic, bifunctional template that binds heterocyclic substrate via reversible coordination instead of covalent linkage, allowing remote site-selective C–H olefination of heterocycles. The two metal centers coordinated to this template play different roles; anchoring substrates to the proximity of catalyst and cleaving the remote C–H bonds respectively. Using this strategy, we demonstrate remote site-selective C–H olefination of heterocyclic substrates which do not have functional group handles for covalently attaching templates. PMID:28273068

Neuronal Correlates of Functional Coupling between Reach- and Grasp-Related Components of Muscle Activity

PubMed Central

Geed, Shashwati; McCurdy, Martha L.; van Kan, Peter L. E.

2017-01-01

Coordinated reach-to-grasp movements require precise spatiotemporal synchrony between proximal forelimb muscles (shoulder, elbow) that transport the hand toward a target during reach, and distal muscles (wrist, digit) that simultaneously preshape and orient the hand for grasp. The precise mechanisms through which the redundant neuromuscular circuitry coordinates reach with grasp, however, remain unclear. Recently, Geed and Van Kan (2016) demonstrated, using exploratory factor analysis (EFA), that limited numbers of global, template-like transport/preshape- and grasp-related muscle components underlie the complexity and variability of intramuscular electromyograms (EMGs) of up to 21 distal and proximal muscles recorded while monkeys performed reach-to-grasp tasks. Importantly, transport/preshape- and grasp-related muscle components showed invariant spatiotemporal coupling, which provides a potential mechanism for coordinating forelimb muscles during reach-to-grasp movements. In the present study, we tested whether ensemble discharges of forelimb neurons in the cerebellar nucleus interpositus (NI) and its target, the magnocellular red nucleus (RNm), a source of rubrospinal fibers, function as neuronal correlates of the transport/preshape- and grasp-related muscle components we identified. EFA applied to single-unit discharges of populations of NI and RNm neurons recorded while the same monkeys that were used previously performed the same reach-to-grasp tasks, revealed neuronal components in the ensemble discharges of both NI and RNm neuronal populations with characteristics broadly similar to muscle components. Subsets of NI and RNm neuronal components were strongly and significantly crosscorrelated with subsets of muscle components, suggesting that similar functional units of reach-to-grasp behavior are expressed by NI and RNm neuronal populations and forelimb muscles. Importantly, like transport/preshape- and grasp-related muscle components, their NI and RNm neuronal correlates showed invariant spatiotemporal coupling. Clinical and lesion studies have reported disruption of coupling between reach and grasp following cerebellar damage; the present results expand on those studies by identifying a neuronal mechanism that may underlie cerebellar contributions to spatiotemporal coordination of distal and proximal limb muscles during reaching to grasp. We conclude that finding similar functional units of behavior expressed at multiple levels of information processing along interposito-rubrospinal pathways and forelimb muscles supports the hypothesis that functionally related populations of NI and RNm neurons act synergistically in the control of complex coordinated motor behaviors. PMID:28270752

Intracellular coordination of potyviral RNA functions in infection

PubMed Central

Mäkinen, Kristiina; Hafrén, Anders

2014-01-01

Establishment of an infection cycle requires mechanisms to allocate the genomes of (+)-stranded RNA viruses in a balanced ratio to translation, replication, encapsidation, and movement, as well as mechanisms to prevent translocation of viral RNA (vRNA) to cellular RNA degradation pathways. The ratio of vRNA allocated to various functions is likely balanced by the availability of regulatory proteins or competition of the interaction sites within regulatory ribonucleoprotein complexes. Due to the transient nature of viral processes and the interdependency between vRNA pathways, it is technically demanding to work out the exact molecular mechanisms underlying vRNA regulation. A substantial number of viral and host proteins have been identified that facilitate the steps that lead to the assembly of a functional potyviral RNA replication complex and their fusion with chloroplasts. Simultaneously with on-going viral replication, part of the replicated potyviral RNA enters movement pathways. Although not much is known about the processes of potyviral RNA release from viral replication complexes, the molecular interactions involved in these processes determine the fate of the replicated vRNA. Some viral and host cell proteins have been described that direct replicated potyviral RNA to translation to enable potyviral gene expression and productive infection. The antiviral defense of the cell causes vRNA degradation by RNA silencing. We hypothesize that also plant pathways involved in mRNA decay may have a role in the coordination of potyviral RNA expression. In this review, we discuss the roles of different potyviral and host proteins in the coordination of various potyviral RNA functions. PMID:24723931

Intracellular coordination of potyviral RNA functions in infection.

PubMed

Mäkinen, Kristiina; Hafrén, Anders

2014-01-01

Establishment of an infection cycle requires mechanisms to allocate the genomes of (+)-stranded RNA viruses in a balanced ratio to translation, replication, encapsidation, and movement, as well as mechanisms to prevent translocation of viral RNA (vRNA) to cellular RNA degradation pathways. The ratio of vRNA allocated to various functions is likely balanced by the availability of regulatory proteins or competition of the interaction sites within regulatory ribonucleoprotein complexes. Due to the transient nature of viral processes and the interdependency between vRNA pathways, it is technically demanding to work out the exact molecular mechanisms underlying vRNA regulation. A substantial number of viral and host proteins have been identified that facilitate the steps that lead to the assembly of a functional potyviral RNA replication complex and their fusion with chloroplasts. Simultaneously with on-going viral replication, part of the replicated potyviral RNA enters movement pathways. Although not much is known about the processes of potyviral RNA release from viral replication complexes, the molecular interactions involved in these processes determine the fate of the replicated vRNA. Some viral and host cell proteins have been described that direct replicated potyviral RNA to translation to enable potyviral gene expression and productive infection. The antiviral defense of the cell causes vRNA degradation by RNA silencing. We hypothesize that also plant pathways involved in mRNA decay may have a role in the coordination of potyviral RNA expression. In this review, we discuss the roles of different potyviral and host proteins in the coordination of various potyviral RNA functions.

A space-time tensor formulation for continuum mechanics in general curvilinear, moving, and deforming coordinate systems

NASA Technical Reports Server (NTRS)

Avis, L. M.

1976-01-01

Tensor methods are used to express the continuum equations of motion in general curvilinear, moving, and deforming coordinate systems. The space-time tensor formulation is applicable to situations in which, for example, the boundaries move and deform. Placing a coordinate surface on such a boundary simplifies the boundary condition treatment. The space-time tensor formulation is also applicable to coordinate systems with coordinate surfaces defined as surfaces of constant pressure, density, temperature, or any other scalar continuum field function. The vanishing of the function gradient components along the coordinate surfaces may simplify the set of governing equations. In numerical integration of the equations of motion, the freedom of motion of the coordinate surfaces provides a potential for enhanced resolution of the continuum field function. An example problem of an incompressible, inviscid fluid with a top free surface is considered, where the surfaces of constant pressure (including the top free surface) are coordinate surfaces.

Modeling of energy release systems from OTEC plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Denno, K.

1983-12-01

This paper presents analytical scope for the controlling functions of OTEC operation for the ultimate production of sizable bulk ..delta..T as well as H/sub 2/, N/sub 2/ and NH/sub 3/. The controlling parametric functions include the oceanic and ammonia Reynolds numbers which depend implicitly and explicitly on the ocean water velocity, mass-volume, duration of ..delta..T extraction, and the inlet and outlet water temperatures internally and externally. Solutions for the oceanic and amonia Reynolds numbers have been established setting the deciding constraints on water velocity, boundary temperatures, mass-volume as well as other plant parameters. Linkage between OTEC plant and other conventionalmore » as well as advanced energy systems has been expressed in terms of a set of balance and coordinating energy equations.« less

Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasper, Ahren W.; Gruey, Zackery B.; Harding, Lawrence B.

Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities atmore » elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.« less

Effects of coordination and manipulation therapy for patients with Parkinson disease.

PubMed

Zhao, Mingming; Hu, Caiyou; Wu, Zhixin; Chen, Yu; Li, Zhengming; Zhang, Mingsheng

2017-09-01

To determine the effects of a new exercise training regimen, i.e. coordination and manipulation therapy (CMT), on motor, balance, and cardiac functions in patients with Parkinson disease (PD). We divided 36 PD patients into the CMT (n = 22) and control (n = 14) groups. The patients in the CMT group performed dry-land swimming (imitation of the breaststroke) and paraspinal muscle stretching for 30 min/workday for 1 year. The control subjects did not exercise regularly. The same medication regimen was maintained in both groups during the study. Clinical characteristics, Unified Parkinson's Disease Rating Scale (UPDRS) scores, Berg balance scale (BBS) scores, mechanical balance measurements, timed up and go (TUG) test, and left ventricular ejection fraction (LVEF) were compared at 0 (baseline), 6, and 12 months. Biochemical test results were compared at 0 and 12 months. The primary outcome was motor ability. The secondary outcome was cardiac function. In the CMT group, UPDRS scores significantly improved, TUG test time and step number significantly decreased, BBS scores significantly increased, and most mechanical balance measurements significantly improved after 1 year of regular exercise therapy (all p < 0.05). In the control group, UPDRS scores significantly deteriorated, TUG test time and step number significantly increased, BBS scores significantly decreased, and most mechanical balance measurements significantly worsened after 1 year (all P < 0.05). LVEF improved in the CMT group only (P = 0.01). This preliminary study suggests that CMT effectively improved mobility disorder, balance, and cardiac function in PD patients over a 1-year period.

Enhancing bird banding information sharing across the western hemishpere

USGS Publications Warehouse

Rojo, A.; Berlanga, H.; Howes, L.; Tomosy, M.

2007-01-01

Bird banding and marking provide indispensable tools for ornithological research, management, and conservation of migratory birds and their habitats along migratory routes, breeding and non-breeding grounds. With the growing interest in international coordination of tracking bird movements, coordination amongst developing and existing programs is essential for effective data management. The North American Bird Banding Program (Canadian Bird Banding Office and U.S. Bird Banding Laboratory and the Mexican government) has been working to enhance collaboration with other Western Hemisphere countries to establish a voluntary bird banding communication network. This network addresses challenges, such as: demonstrating how sharing banding expertise and information management can support the stewardship of Western Hemisphere migratory birds, ensuring that valuable banding and encounter data are captured and shared. With increasing numbers of international scientific and conservation initiatives, bird banding and marking programs must provide essential international coordination functions as well as support local activities by facilitating access to bands, training, data management and encounter reporting.

Linear-scaling generation of potential energy surfaces using a double incremental expansion

DOE Office of Scientific and Technical Information (OSTI.GOV)

König, Carolin, E-mail: carolink@kth.se; Christiansen, Ove, E-mail: ove@chem.au.dk

We present a combination of the incremental expansion of potential energy surfaces (PESs), known as n-mode expansion, with the incremental evaluation of the electronic energy in a many-body approach. The application of semi-local coordinates in this context allows the generation of PESs in a very cost-efficient way. For this, we employ the recently introduced flexible adaptation of local coordinates of nuclei (FALCON) coordinates. By introducing an additional transformation step, concerning only a fraction of the vibrational degrees of freedom, we can achieve linear scaling of the accumulated cost of the single point calculations required in the PES generation. Numerical examplesmore » of these double incremental approaches for oligo-phenyl examples show fast convergence with respect to the maximum number of simultaneously treated fragments and only a modest error introduced by the additional transformation step. The approach, presented here, represents a major step towards the applicability of vibrational wave function methods to sizable, covalently bound systems.« less

Contact- and distance-based principal component analysis of protein dynamics.

PubMed

Ernst, Matthias; Sittel, Florian; Stock, Gerhard

2015-12-28

To interpret molecular dynamics simulations of complex systems, systematic dimensionality reduction methods such as principal component analysis (PCA) represent a well-established and popular approach. Apart from Cartesian coordinates, internal coordinates, e.g., backbone dihedral angles or various kinds of distances, may be used as input data in a PCA. Adopting two well-known model problems, folding of villin headpiece and the functional dynamics of BPTI, a systematic study of PCA using distance-based measures is presented which employs distances between Cα-atoms as well as distances between inter-residue contacts including side chains. While this approach seems prohibitive for larger systems due to the quadratic scaling of the number of distances with the size of the molecule, it is shown that it is sufficient (and sometimes even better) to include only relatively few selected distances in the analysis. The quality of the PCA is assessed by considering the resolution of the resulting free energy landscape (to identify metastable conformational states and barriers) and the decay behavior of the corresponding autocorrelation functions (to test the time scale separation of the PCA). By comparing results obtained with distance-based, dihedral angle, and Cartesian coordinates, the study shows that the choice of input variables may drastically influence the outcome of a PCA.

Contact- and distance-based principal component analysis of protein dynamics

NASA Astrophysics Data System (ADS)

Ernst, Matthias; Sittel, Florian; Stock, Gerhard

2015-12-01

To interpret molecular dynamics simulations of complex systems, systematic dimensionality reduction methods such as principal component analysis (PCA) represent a well-established and popular approach. Apart from Cartesian coordinates, internal coordinates, e.g., backbone dihedral angles or various kinds of distances, may be used as input data in a PCA. Adopting two well-known model problems, folding of villin headpiece and the functional dynamics of BPTI, a systematic study of PCA using distance-based measures is presented which employs distances between Cα-atoms as well as distances between inter-residue contacts including side chains. While this approach seems prohibitive for larger systems due to the quadratic scaling of the number of distances with the size of the molecule, it is shown that it is sufficient (and sometimes even better) to include only relatively few selected distances in the analysis. The quality of the PCA is assessed by considering the resolution of the resulting free energy landscape (to identify metastable conformational states and barriers) and the decay behavior of the corresponding autocorrelation functions (to test the time scale separation of the PCA). By comparing results obtained with distance-based, dihedral angle, and Cartesian coordinates, the study shows that the choice of input variables may drastically influence the outcome of a PCA.

Multiciliated Cells in Animals.

PubMed

Meunier, Alice; Azimzadeh, Juliette

2016-12-01

Many animal cells assemble single cilia involved in motile and/or sensory functions. In contrast, multiciliated cells (MCCs) assemble up to 300 motile cilia that beat in a coordinate fashion to generate a directional fluid flow. In the human airways, the brain, and the oviduct, MCCs allow mucus clearance, cerebrospinal fluid circulation, and egg transportation, respectively. Impairment of MCC function leads to chronic respiratory infections and increased risks of hydrocephalus and female infertility. MCC differentiation during development or repair involves the activation of a regulatory cascade triggered by the inhibition of Notch activity in MCC progenitors. The downstream events include the simultaneous assembly of a large number of basal bodies (BBs)-from which cilia are nucleated-in the cytoplasm of the differentiating MCCs, their migration and docking at the plasma membrane associated to an important remodeling of the actin cytoskeleton, and the assembly and polarization of motile cilia. The direction of ciliary beating is coordinated both within cells and at the tissue level by a combination of planar polarity cues affecting BB position and hydrodynamic forces that are both generated and sensed by the cilia. Herein, we review the mechanisms controlling the specification and differentiation of MCCs and BB assembly and organization at the apical surface, as well as ciliary assembly and coordination in MCCs. Copyright © 2016 Cold Spring Harbor Laboratory Press; all rights reserved.

Self-organization in a distributed coordination game through heuristic rules

NASA Astrophysics Data System (ADS)

Agarwal, Shubham; Ghosh, Diptesh; Chakrabarti, Anindya S.

2016-12-01

In this paper, we consider a distributed coordination game played by a large number of agents with finite information sets, which characterizes emergence of a single dominant attribute out of a large number of competitors. Formally, N agents play a coordination game repeatedly, which has exactly N pure strategy Nash equilibria, and all of the equilibria are equally preferred by the agents. The problem is to select one equilibrium out of N possible equilibria in the least number of attempts. We propose a number of heuristic rules based on reinforcement learning to solve the coordination problem. We see that the agents self-organize into clusters with varying intensities depending on the heuristic rule applied, although all clusters but one are transitory in most cases. Finally, we characterize a trade-off in terms of the time requirement to achieve a degree of stability in strategies versus the efficiency of such a solution.

Tetrahedrality and hydrogen bonds in water

NASA Astrophysics Data System (ADS)

Székely, Eszter; Varga, Imre K.; Baranyai, András

2016-06-01

We carried out extensive calculations of liquid water at different temperatures and pressures using the BK3 model suggested recently [P. T. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)]. In particular, we were interested in undercooled regions to observe the propensity of water to form tetrahedral coordination of closest neighbors around a central molecule. We compared the found tetrahedral order with the number of hydrogen bonds and with the partial pair correlation functions unfolded as distributions of the closest, the second closest, etc. neighbors. We found that contrary to the number of hydrogen bonds, tetrahedrality changes substantially with state variables. Not only the number of tetrahedral arrangements increases with lowering the pressure, the density, and the temperature but the domain size of connecting tetrahedral structures as well. The difference in tetrahedrality is very pronounced between the two sides of the Widom line and even more so between the low density amorphous (LDA) and high density amorphous (HDA) phases. We observed that in liquid water and in HDA, the 5th water molecule, contrary to ice and LDA, is positioned between the first and the second coordination shell. We found no convincing evidence of structural heterogeneity or regions referring to structural transition.

CDP-Diacylglycerol Synthetase Coordinates Cell Growth and Fat Storage through Phosphatidylinositol Metabolism and the Insulin Pathway

PubMed Central

Liu, Yuan; Wang, Wei; Shui, Guanghou; Huang, Xun

2014-01-01

During development, animals usually undergo a rapid growth phase followed by a homeostatic stage when growth has ceased. The increase in cell size and number during the growth phase requires a large amount of lipids; while in the static state, excess lipids are usually stored in adipose tissues in preparation for nutrient-limited conditions. How cells coordinate growth and fat storage is not fully understood. Through a genetic screen we identified Drosophila melanogaster CDP-diacylglycerol synthetase (CDS/CdsA), which diverts phosphatidic acid from triacylglycerol synthesis to phosphatidylinositol (PI) synthesis and coordinates cell growth and fat storage. Loss of CdsA function causes significant accumulation of neutral lipids in many tissues along with reduced cell/organ size. These phenotypes can be traced back to reduced PI levels and, subsequently, low insulin pathway activity. Overexpressing CdsA rescues the fat storage and cell growth phenotypes of insulin pathway mutants, suggesting that CdsA coordinates cell/tissue growth and lipid storage through the insulin pathway. We also revealed that a DAG-to-PE route mediated by the choline/ethanolamine phosphotransferase Bbc may contribute to the growth of fat cells in CdsA RNAi. PMID:24603715

Infrared Multiple-Photon Dissociation spectroscopy of group II metal complexes with salicylate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryan P. Dain; Gary Gresham; Gary S. Groenewold

2011-07-01

Ion-trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations were used to characterize singly-charged, 1:1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate. For each metal-salicylate complex, the CID pathways are: (a) elimination of CO2 and (b) formation of [MOH]+ where M=Ca2+, Sr2+ or Ba2+. DFT calculations predict three minima for the cation-salicylate complexes which differ in the mode of metal binding. In the first, the metal ion is coordinated by O atoms of the (neutral) phenol and carboxylate groups of salicylate. In the second, the cationmore » is coordinated by phenoxide and (neutral) carboxylic acid groups. The third mode involves coordination by the carboxylate group alone. The infrared spectrum for the metal-salicylate complexes contains a number of absorptions between 1000 – 1650 cm-1, and the best correlation between theoretical and experimental spectra for the structure that features coordination of the metal ion by phenoxide and the carbonyl group of the carboxylic acid group, consistent with calculated energies for the respective species.« less

Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate.

PubMed

Dain, Ryan P; Gresham, Gary; Groenewold, Gary S; Steill, Jeffrey D; Oomens, Jos; van Stipdonk, Michael J

2011-07-15

Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to characterize singly charged, 1:1 complexes of Ca(2+), Sr(2+) and Ba(2+) with salicylate. For each metal-salicylate complex, the CID pathways are: (a) elimination of CO(2) and (b) formation of [MOH](+) where M = Ca(2+), Sr(2+) or Ba(2+). DFT calculations predict three minima for the cation-salicylate complexes which differ in the mode of metal binding. In the first, the metal ion is coordinated by O atoms of the (neutral) phenol and carboxylate groups of salicylate. In the second, the cation is coordinated by phenoxide and (neutral) carboxylic acid groups. The third mode involves coordination by the carboxylate group alone. The infrared spectrum for the metal-salicylate complexes contains a number of absorptions between 1000 and 1650 cm(-1), and the best correlation between theoretical and experimental spectra is found for the structure that features coordination of the metal ion by phenoxide and the carbonyl O of the carboxylic acid group, consistent with the calculated energies for the respective species. Copyright © 2011 John Wiley & Sons, Ltd.

An Examination of the Relationship between Motor Coordination and Executive Functions in Adolescents

ERIC Educational Resources Information Center

Rigoli, Daniela; Piek, Jan P.; Kane, Robert; Oosterlaan, Jaap

2012-01-01

Aim: Research suggests important links between motor coordination and executive functions. The current study examined whether motor coordination predicts working memory, inhibition, and switching performance, extending previous research by accounting for attention-deficit-hyperactivity disorder (ADHD) symptomatology and other confounding factors,…

Rhythmic Interlimb Coordination Impairments and the Risk for Developing Mobility Limitations.

PubMed

James, Eric G; Leveille, Suzanne G; Hausdorff, Jeffrey M; Travison, Thomas; Kennedy, David N; Tucker, Katherine L; Al Snih, Soham; Markides, Kyriakos S; Bean, Jonathan F

2017-08-01

The identification of novel rehabilitative impairments that are risk factors for mobility limitations may improve their prevention and treatment among older adults. We tested the hypothesis that impaired rhythmic interlimb ankle and shoulder coordination are risk factors for subsequent mobility limitations among older adults. We conducted a 1-year prospective cohort study of community-dwelling older adults (N = 99) aged 67 years and older who did not have mobility limitations (Short Physical Performance Battery score > 9) at baseline. Participants performed antiphase coordination of the right and left ankles or shoulders while paced by an auditory metronome. Using multivariable logistic regression, we determined odds ratios (ORs) for mobility limitations at 1-year follow-up as a function of coordination variability and asymmetry. After adjusting for age, sex, body mass index, Mini-Mental State Examination score, number of chronic conditions, and baseline Short Physical Performance Battery score, ORs were significant for developing mobility limitations based on a 1 SD difference in the variability of ankle (OR = 1.88; 95% confidence interval [CI]: 1.16-3.05) and shoulder (OR = 1.96; 95% CI: 1.17-3.29) coordination. ORs were significant for asymmetry of shoulder (OR = 2.11; 95% CI: 1.25-3.57), but not ankle (OR = 0.95; 95% CI: 0.59-1.55) coordination. Similar results were found in unadjusted analyses. The results support our hypothesis that impaired interlimb ankle and shoulder coordination are risk factors for the development of mobility limitations. Future work is needed to further examine the peripheral and central mechanisms underlying this relationship and to test whether enhancing coordination alters mobility limitations. © The Author 2016. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Free-edge effects in laminates under extension, bending and twisting. II - Sublaminate/layer modeling and analysis

NASA Technical Reports Server (NTRS)

Yin, Wan-Lee

1992-01-01

The stress-function-based variational method of Yin (1991) is extended and modified into a combined layer/sublaminate approach applicable to a laminated strip composed of a large number of differently orientated, anisotropic elastic plies. Lekhnitskii's (1963) stress functions are introduced into two interior layers adjacent to a particular interface. The remaining layers are grouped into an upper sublaminate and a lower sublaminate. The stress functions are expanded in truncated power series of the thickness coordinate, and the differential equations governing the coefficient functions are derived by using the complementary virtual work principle. The layer/sublaminate approach limits the dimension of the eigenvalue problem to a fixed number irrespective of the number of layers in the sublaminate, so that reasonably accurate solutions of the interlaminar stresses can be computed with extreme ease. For symmetric, four-layer, angle-ply and cross-ply laminates, a comparison of the previous analysis results based on the pure layer model and new results based on two different layer/sublaminate models indicates reasonable over-all agreement in the interlaminar stresses and superior agreement in the total peeling and shearing force.

USSR and Eastern Europe Scientific Abstracts, Geophysics, Astronomy and Space, Number 428.

DTIC Science & Technology

1978-09-05

pp 35-37 [Article by L. P. Pakhmutov, "Influence of Error in Representing Figure of Geoid in Evaluating Geocentric Position of Artificial Earth...the Runge- Kutta method. The magnitude of the error in the geocentric radius of the satellite is expressed as a function of the corrections in...planetocentrlc and geocentric coordinate systems which makes it possible to form matrices describing transfer between planets using a single algorithm

A new construction of rational electromagnetic knots

NASA Astrophysics Data System (ADS)

Lechtenfeld, Olaf; Zhilin, Gleb

2018-06-01

We set up a correspondence between solutions of the Yang-Mills equations on R ×S3 and in Minkowski spacetime via de Sitter space. Some known Abelian and non-Abelian exact solutions are rederived. For the Maxwell case we present a straightforward algorithm to generate an infinite number of explicit solutions, with fields and potentials in Minkowski coordinates given by rational functions of increasing complexity. We illustrate our method with a nontrivial example.

Children With Special Health Care Needs: Child Health and Functioning Outcomes and Health Care Service Use.

PubMed

Caicedo, Carmen

This study describes health, functioning, and health care service use by medically complex technology-dependent children according to condition severity (moderately disabled, severely disabled, and vegetative state). Data were collected monthly for 5 months using the Pediatric Quality of Life Generic Core Module 4.0 Parent-Proxy Report. Health care service use measured the number of routine and acute care office visits (including primary and specialty physicians), emergency department visits, hospitalizations, nursing health care services, special therapies, medications, medical technology devices (MTDs), and assistive devices. Child physical health was different across the condition severity groups. The average age of the children was 10.1 years (SD, 6.2); the average number of medications used was 5.5 (SD, 3.7); the average number of MTDs used was 4.2 (SD, 2.9); and the average number of assistive devices used was 4.3 (SD, 2.7). Severely disabled and vegetative children were similar in age (older) and had a similar number of medications, MTDs, and assistive devices (greater) than moderately disabled children. The advanced practice nurse care coordinator role is necessary for the health and functioning of medically complex, technology-dependent children. Copyright © 2016 National Association of Pediatric Nurse Practitioners. Published by Elsevier Inc. All rights reserved.

Enzymes for ecdysteroid biosynthesis: their biological functions in insects and beyond.

PubMed

Niwa, Ryusuke; Niwa, Yuko S

2014-01-01

Steroid hormones are responsible for the coordinated regulation of many aspects of biological processes in multicellular organisms. Since the last century, many studies have identified and characterized steroidogenic enzymes in vertebrates, including mammals. However, much less is known about invertebrate steroidogenic enzymes. In the last 15 years, a number of steroidogenic enzymes and their functions have been characterized in ecdysozoan animals, especially in the fruit fly Drosophila melanogaster. In this review, we summarize the latest knowledge of enzymes crucial for synthesizing ecdysteroids, the principal insect steroid hormones. We also discuss the functional conservation and diversity of ecdysteroidogenic enzymes in other insects and even non-insect species, such as nematodes, vertebrates, and lower eukaryotes.

Reinforcement of drinking by running: effect of fixed ratio and reinforcement time1

PubMed Central

Premack, David; Schaeffer, Robert W.; Hundt, Alan

1964-01-01

Rats were required to complete varying numbers of licks (FR), ranging from 10 to 300, in order to free an activity wheel for predetermined times (CT) ranging from 2 to 20 sec. The reinforcement of drinking by running was shown both by an increased frequency of licking, and by changes in length of the burst of licking relative to operant-level burst length. In log-log coordinates, instrumental licking tended to be a linear increasing function of FR for the range tested, a linear decreasing function of CT for the range tested. Pause time was implicated in both of the above relations, being a generally increasing function of both FR and CT. PMID:14120150

REINFORCEMENT OF DRINKING BY RUNNING: EFFECT OF FIXED RATIO AND REINFORCEMENT TIME.

PubMed

PREMACK, D; SCHAEFFER, R W; HUNDT, A

1964-01-01

Rats were required to complete varying numbers of licks (FR), ranging from 10 to 300, in order to free an activity wheel for predetermined times (CT) ranging from 2 to 20 sec. The reinforcement of drinking by running was shown both by an increased frequency of licking, and by changes in length of the burst of licking relative to operant-level burst length. In log-log coordinates, instrumental licking tended to be a linear increasing function of FR for the range tested, a linear decreasing function of CT for the range tested. Pause time was implicated in both of the above relations, being a generally increasing function of both FR and CT.

Experimental evidence of six-fold oxygen coordination for phosphorus and XANES calculations

NASA Astrophysics Data System (ADS)

Flank, A.-M.; Trcera, N.; Brunet, F.; Itié, J.-P.; Irifune, T.; Lagarde, P.

2009-11-01

Phosphorus, a group V element, has always been found so far in minerals, biological systems and synthetic compounds with an oxygen coordination number of four (i.e, PO4 groups). We demonstrate here using phosphorus K-edge XANES spectroscopy that this element can also adopt a six-fold oxygen coordination (i.e, PO6 groups). This new coordination was achieved in AlPO4 doped SiO2 stishovite synthesized at 18 GPa and 1873 K and quenched down to ambient conditions. The well-crystallized P-bearing stishovite grains (up to 100μm diameter) were embedded in the back-transformation products of high pressure form of AlPO4 matrix. They were identified by elemental mapping (μ-XRF). μ-XANES spectra collected at the Si and P K edges in the Si rich region with a very low concentration of P present striking resemblance, Si itself being characteristic of pure stishovite. We can therefore infer that phosphorus in the corresponding stishovite crystal is involved in an octahedral coordination made of six oxygen atoms. First principle XANES calculations using a plane-wave density functional formalism with core-hole effects treated in a supercell approach at the P K edge for a P atom substituting an Si one in the stishovite structure confirm this assertion. This result shows that in the lower-mantle where all silicon is six-fold coordinated, phosphorus has the crystal-chemical ability to remain incorporated into silicate structures.

Analytically derived switching functions for exact H2+ eigenstates

NASA Astrophysics Data System (ADS)

Thorson, W. R.; Kimura, M.; Choi, J. H.; Knudson, S. K.

1981-10-01

Electron translation factors (ETF's) appropriate for slow atomic collisions may be constructed using switching functions. In this paper we derive a set of switching functions for the H2+ system by an analytical "two-center decomposition" of the exact molecular eigenstates. These switching functions are closely approximated by the simple form f=bη, where η is the "angle variable" of prolate spheroidal coordinates. For given united atom angular momentum quantum numbers (l,m), the characteristic parameter blm depends only on the quantity c2=-ɛR22, where ɛ is the electronic binding energy and R the internuclear distance in a.u. The resulting parameters are in excellent agreement with those found in our earlier work by a heuristic "optimization" scheme based on a study of coupling matrix-element behavior for a number of H2+ states. An approximate extension to asymmetric cases (HeH2+) has also been made. Nonadiabatic couplings based on these switching functions have been used in recent close-coupling calculations for H+-H(1s) collisions and He2+-H(1s) collisions at energies 1.0-20 keV.

Market-Based Multirobot Coordination: A Survey and Analysis

DTIC Science & Technology

2005-04-01

observe new information about their surroundings. Market -based approaches can often seamlessly incorporate online tasks by auctioning new tasks as they... Market -Based Multirobot Coordination: A Survey and Analysis M. Bernardine Dias, Robert Zlot, Nidhi Kalra, and Anthony Stentz CMU-RI-TR-05-13 April...00-00-2005 to 00-00-2005 4. TITLE AND SUBTITLE Market -Based Multirobot Coordination: A Survey and Analysis 5a. CONTRACT NUMBER 5b. GRANT NUMBER

Family-centred service coordination in childhood health and disability services: the search for meaningful service outcome measures.

PubMed

Trute, B; Hiebert-Murphy, D; Wright, A

2008-05-01

Potential service outcome measures were tested for their utility in the assessment of the quality of 'family centred' service coordination in the provincial network of children's disability services in Manitoba, Canada. This study is based on in-home survey data provided by 103 mothers at 6 and 18 months following assignment of a 'dedicated' service coordinator. Service outcome indicators included measures of parent self-esteem, parenting stress, family functioning and the need for family support resources. Hierarchical regression analyses showed no relationship between level of quality of family-centred service coordination and standardized psychosocial measures of parent and family functioning. However, family centredness of service coordination was found to predict significant reduction in level of family need for psychosocial support resources after 18 months of contact with a service coordinator. Outcome measures that are focused on specific and tangible results of service coordination appear to be of higher utility in service quality assessment than are more global, standardized measures of parent and family functioning.

Structure and Electronic Properties of Crystalline and Amorphous Zinc Indium Tin Oxide Thin Films

NASA Astrophysics Data System (ADS)

Proffit, Diana Elizabeth

The local structures and surface electronic properties of crystalline (c-) and amorphous (a-) Zn and Sn codoped In2O3 (ZITO) films were studied. X-ray absorption spectroscopy (XAS) measurements confirm that Zn and Sn dopants occupy In sites in the bixbyite structure of c-ZITO. Also, Zn dopants are generally under-coordinated and some compensated Sn dopants are over-coordinated, as demonstrated by the trend in coordination numbers (CN) of CNSn>CNIn>CNZn. Aliovalent Sn dopants form Frank-Kostlin clusters, (2Sn•InO'' i)x , which can act as donors when reduced. XAS and anomalous X-ray scattering studies on a-ZITO show that the local structure in a-ZITO is somewhat different than that in c-ZITO, particularly around Zn. The Zn-O bond length is significantly smaller than in c-ZITO and Zn is 4-fold coordinated. The smaller coordination numbers in a-ZITO follow the same trend as in c-ZITO. Unlike in c-ZITO, variations in the Sn/Zn ratio do not alter the electrical properties of a-ZITO, although variations in deposition oxygen pressure do. The 3-D geometrical arrangement linking local structure units seems to play a key role in charge balancing ZITO. As measured by in situ grazing incidence wide angle X-ray scattering, ZITO crystallizes at a higher temperature than In2 O3 and Sn-doped In2O3. The difference is attributed to a higher activation energy, which may result from the unique structure around Zn in a-ZITO. Increasing the codoping level consistently increases crystallization temperature. For a given codoping level, the crystallization temperature during deposition is lower than that during post-deposition annealing. X-ray and ultraviolet photoelectron spectroscopy measurements show that a-ZITO and c-ZITO thin films have similar surface electronic properties. In situ a-ZITO and c-ZITO films have low ionization potentials that are similar to In2O3. However, dry-air-annealed in situ films, ex situ films, and bulk ceramics have higher ionization potentials that are similar to ITO and match well with previous results on air-exposed surfaces. Lastly, a parallelogram plot of work function versus Fermi level shows that a wider range of work functions is achievable in ZITO materials than in Sb-doped SnO2, Al-doped ZnO, and Sn-doped In2O3.

Tai-Chi for Residential Patients with Schizophrenia on Movement Coordination, Negative Symptoms, and Functioning: A Pilot Randomized Controlled Trial

PubMed Central

Ho, Rainbow T. H.; Au Yeung, Friendly S. W.; Lo, Phyllis H. Y.; Law, Kit Ying; Wong, Kelvin O. K.; Cheung, Irene K. M.; Ng, Siu Man

2012-01-01

Objective. Patients with schizophrenia residing at institutions often suffer from negative symptoms, motor, and functional impairments more severe than their noninstitutionalized counterparts. Tai-chi emphasizes body relaxation, alertness, and movement coordination with benefits to balance, focus, and stress relief. This pilot study explored the efficacy of Tai-chi on movement coordination, negative symptoms, and functioning disabilities towards schizophrenia. Methods. A randomized waitlist control design was adopted, where participants were randomized to receive either the 6-week Tai-chi program and standard residential care or only the latter. 30 Chinese patients with schizophrenia were recruited from a rehabilitation residency. All were assessed on movement coordination, negative symptoms, and functional disabilities at baseline, following intervention and 6 weeks after intervention. Results. Tai-chi buffered from deteriorations in movement coordination and interpersonal functioning, the latter with sustained effectiveness 6 weeks after the class was ended. Controls showed marked deteriorations in those areas. The Tai-chi group also experienced fewer disruptions to life activities at the 6-week maintenance. There was no significant improvement in negative symptoms after Tai-chi. Conclusions. This study demonstrated encouraging benefits of Tai-chi in preventing deteriorations in movement coordination and interpersonal functioning for residential patients with schizophrenia. The ease of implementation facilitates promotion at institutional psychiatric services. PMID:23304224

Tai-chi for residential patients with schizophrenia on movement coordination, negative symptoms, and functioning: a pilot randomized controlled trial.

PubMed

Ho, Rainbow T H; Au Yeung, Friendly S W; Lo, Phyllis H Y; Law, Kit Ying; Wong, Kelvin O K; Cheung, Irene K M; Ng, Siu Man

2012-01-01

Objective. Patients with schizophrenia residing at institutions often suffer from negative symptoms, motor, and functional impairments more severe than their noninstitutionalized counterparts. Tai-chi emphasizes body relaxation, alertness, and movement coordination with benefits to balance, focus, and stress relief. This pilot study explored the efficacy of Tai-chi on movement coordination, negative symptoms, and functioning disabilities towards schizophrenia. Methods. A randomized waitlist control design was adopted, where participants were randomized to receive either the 6-week Tai-chi program and standard residential care or only the latter. 30 Chinese patients with schizophrenia were recruited from a rehabilitation residency. All were assessed on movement coordination, negative symptoms, and functional disabilities at baseline, following intervention and 6 weeks after intervention. Results. Tai-chi buffered from deteriorations in movement coordination and interpersonal functioning, the latter with sustained effectiveness 6 weeks after the class was ended. Controls showed marked deteriorations in those areas. The Tai-chi group also experienced fewer disruptions to life activities at the 6-week maintenance. There was no significant improvement in negative symptoms after Tai-chi. Conclusions. This study demonstrated encouraging benefits of Tai-chi in preventing deteriorations in movement coordination and interpersonal functioning for residential patients with schizophrenia. The ease of implementation facilitates promotion at institutional psychiatric services.

An Evidence Based Review of Acute and Long-Term Effects of Cannabis Use on Executive Cognitive Functions

PubMed Central

Crean, Rebecca D.; Crane, Natania A.; Mason, Barbara J.

2011-01-01

Cannabis use has been shown to impair cognitive functions on a number of levels—from basic motor coordination to more complex executive function tasks, such as the ability to plan, organize, solve problems, make decisions, remember, and control emotions and behavior. These deficits differ in severity depending on the quantity, recency, age of onset and duration of marijuana use. Understanding how cannabis use impairs executive function is important. Individuals with cannabis-related impairment in executive functions have been found to have trouble learning and applying the skills required for successful recovery, putting them at increased risk for relapse to cannabis use. Here we review the research on the acute, residual, and long-term effects of cannabis use on executive functions, and discuss the implications for treatment. PMID:21321675

Coordinate transformations and gauges in the relativistic astronomical reference systems

NASA Astrophysics Data System (ADS)

Tao, J.-H.; Huang, T.-Y.; Han, C.-H.

2000-11-01

This paper applies a fully post-Newtonian theory (Damour et al. 1991, 1992, 1993, 1994) to the problem of gauge in relativistic reference systems. Gauge fixing is necessary when the precision of time measurement and application reaches 10-16 or better. We give a general procedure for fixing the gauges of gravitational potentials in both the global and local coordinate systems, and for determining the gauge functions in all the coordinate transformations. We demonstrate that gauge fixing in a gravitational N-body problem can be solved by fixing the gauge of the self-gravitational potential of each body and the gauge function in the coordinate transformation between the global and local coordinate systems. We also show that these gauge functions can be chosen to make all the coordinate systems harmonic or any as required, no matter what gauge is chosen for the self-gravitational potential of each body.

Sound field reconstruction within an entire cavity by plane wave expansions using a spherical microphone array.

PubMed

Wang, Yan; Chen, Kean

2017-10-01

A spherical microphone array has proved effective in reconstructing an enclosed sound field by a superposition of spherical wave functions in Fourier domain. It allows successful reconstructions surrounding the array, but the accuracy will be degraded at a distance. In order to extend the effective reconstruction to the entire cavity, a plane-wave basis in space domain is used owing to its non-decaying propagating characteristic and compared with the conventional spherical wave function method in a low frequency sound field within a cylindrical cavity. The sensitivity to measurement noise, the effects of the numbers of plane waves, and measurement positions are discussed. Simulations show that under the same measurement conditions, the plane wave function method is superior in terms of reconstruction accuracy and data processing efficiency, that is, the entire sound field imaging can be achieved by only one time calculation instead of translations of local sets of coefficients with respect to every measurement position into a global one. An experiment was conducted inside an aircraft cabin mock-up for validation. Additionally, this method provides an alternative possibility to recover the coefficients of high order spherical wave functions in a global coordinate system without coordinate translations with respect to local origins.

The LGI1–ADAM22 protein complex directs synapse maturation through regulation of PSD-95 function

PubMed Central

Lovero, Kathryn L.; Fukata, Yuko; Granger, Adam J.; Fukata, Masaki; Nicoll, Roger A.

2015-01-01

Synapse development is coordinated by a number of transmembrane and secreted proteins that come together to form synaptic organizing complexes. Whereas a variety of synaptogenic proteins have been characterized, much less is understood about the molecular networks that support the maintenance and functional maturation of nascent synapses. Here, we demonstrate that leucine-rich, glioma-inactivated protein 1 (LGI1), a secreted protein previously shown to modulate synaptic AMPA receptors, is a paracrine signal released from pre- and postsynaptic neurons that acts specifically through a disintegrin and metalloproteinase protein 22 (ADAM22) to set postsynaptic strength. We go on to describe a novel role for ADAM22 in maintaining excitatory synapses through PSD-95/Dlg1/zo-1 (PDZ) domain interactions. Finally, we show that in the absence of LGI1, the mature synapse scaffolding protein PSD-95, but not the immature synapse scaffolding protein SAP102, is unable to modulate synaptic transmission. These results indicate that LGI1 and ADAM22 form an essential synaptic organizing complex that coordinates the maturation of excitatory synapses by regulating the functional incorporation of PSD-95. PMID:26178195

The application of 3D Zernike moments for the description of "model-free" molecular structure, functional motion, and structural reliability.

PubMed

Grandison, Scott; Roberts, Carl; Morris, Richard J

2009-03-01

Protein structures are not static entities consisting of equally well-determined atomic coordinates. Proteins undergo continuous motion, and as catalytic machines, these movements can be of high relevance for understanding function. In addition to this strong biological motivation for considering shape changes is the necessity to correctly capture different levels of detail and error in protein structures. Some parts of a structural model are often poorly defined, and the atomic displacement parameters provide an excellent means to characterize the confidence in an atom's spatial coordinates. A mathematical framework for studying these shape changes, and handling positional variance is therefore of high importance. We present an approach for capturing various protein structure properties in a concise mathematical framework that allows us to compare features in a highly efficient manner. We demonstrate how three-dimensional Zernike moments can be employed to describe functions, not only on the surface of a protein but throughout the entire molecule. A number of proof-of-principle examples are given which demonstrate how this approach may be used in practice for the representation of movement and uncertainty.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mevada, A. D., E-mail: adwait.mevada@gmail.com; Mehsana Urban Institute of Sciences, Ganpat University, Mehsana-Gozaria Highway, Kherva 384 001, Gujarat; Pandya, N. Y., E-mail: nirav-physics85@yahoo.com

Mg{sub 70}Zn{sub 30} is simplest of metallic glasses having good mechanical properties, biocompatibility with human body and is biodegradable, so it is widely studied material in its class. We present in this paper first principle calculations showing the change in the structure of the system with temperature. The computations are performed using PWSCF tool of Quantum ESPRESSO package, which uses density functional theory for calculations of electronic ground state properties and dynamical structures. With increasing temperature the number of peaks in RDFs reduce in number leaving only a single peak,the system thus makes a transition from non-crystalline solid to liquidmore » state within the range of 300–1000K. First coordination number was found to decrease with rising temperature.« less

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jun; Jiang, Bin; Guo, Hua, E-mail: hguo@unm.edu

2013-11-28

A rigorous, general, and simple method to fit global and permutation invariant potential energy surfaces (PESs) using neural networks (NNs) is discussed. This so-called permutation invariant polynomial neural network (PIP-NN) method imposes permutation symmetry by using in its input a set of symmetry functions based on PIPs. For systems with more than three atoms, it is shown that the number of symmetry functions in the input vector needs to be larger than the number of internal coordinates in order to include both the primary and secondary invariant polynomials. This PIP-NN method is successfully demonstrated in three atom-triatomic reactive systems, resultingmore » in full-dimensional global PESs with average errors on the order of meV. These PESs are used in full-dimensional quantum dynamical calculations.« less

Using "Functional" Target Coordinates of the Subthalamic Nucleus to Assess the Indirect and Direct Methods of the Preoperative Planning: Do the Anatomical and Functional Targets Coincide?

PubMed

Rabie, Ahmed; Verhagen Metman, Leo; Slavin, Konstantin V

2016-12-21

To answer the question of whether the anatomical center of the subthalamic nucleus (STN), as calculated indirectly from stereotactic atlases or by direct visualization on magnetic resonance imaging (MRI), corresponds to the best functional target. Since the neighboring red nucleus (RN) is well visualized on MRI, we studied the relationships of the final target to its different borders. We analyzed the data of 23 PD patients (46 targets) who underwent bilateral frame-based STN deep brain stimulation (DBS) procedure with microelectrode recording guidance. We calculated coordinates of the active contact on DBS electrode on postoperative MRI, which we referred to as the final "functional/optimal" target. The coordinates calculated by the atlas-based "indirect" and "direct" methods, as well as the coordinates of the different RN borders were compared to these final coordinates. The mean ± SD of the final target coordinates was 11.7 ± 1.5 mm lateral (X), 2.4 ± 1.5 mm posterior (Y), and 6.1 ± 1.7 mm inferior to the mid-commissural point (Z). No significant differences were found between the "indirect" X, Z coordinates and those of the final targets. The "indirect" Y coordinate was significantly posterior to Y of the final target, with mean difference of 0.6 mm ( p = 0.014). No significant differences were found between the "direct" X, Y, and Z coordinates and those of the final targets. The functional STN target is located in direct proximity to its anatomical center. During preoperative targeting, we recommend using the "direct" method, and taking into consideration the relationships of the final target to the mid-commissural point (MCP) and the different RN borders.

Advances in Quantum Trajectory Approaches to Dynamics

NASA Astrophysics Data System (ADS)

Askar, Attila

2001-03-01

The quantum fluid dynamics (QFD) formulation is based on the separation of the amplitude and phase of the complex wave function in Schrodinger's equation. The approach leads to conservation laws for an equivalent "gas continuum". The Lagrangian [1] representation corresponds to following the particles of the fluid continuum, i. e. calculating "quantum trajectories". The Eulerian [2] representation on the other hand, amounts to observing the dynamics of the gas continuum at the points of a fixed coordinate frame. The combination of several factors leads to a most encouraging computational efficiency. QFD enables the numerical analysis to deal with near monotonic amplitude and phase functions. The Lagrangian description concentrates the computation effort to regions of highest probability as an optimal adaptive grid. The Eulerian representation allows the study of multi-coordinate problems as a set of one-dimensional problems within an alternating direction methodology. An explicit time integrator limits the increase in computational effort with the number of discrete points to linear. Discretization of the space via local finite elements [1,2] and global radial functions [3] will be discussed. Applications include wave packets in four-dimensional quadratic potentials and two coordinate photo-dissociation problems for NOCl and NO2. [1] "Quantum fluid dynamics (QFD) in the Lagrangian representation with applications to photo-dissociation problems", F. Sales, A. Askar and H. A. Rabitz, J. Chem. Phys. 11, 2423 (1999) [2] "Multidimensional wave-packet dynamics within the fluid dynamical formulation of the Schrodinger equation", B. Dey, A. Askar and H. A. Rabitz, J. Chem. Phys. 109, 8770 (1998) [3] "Solution of the quantum fluid dynamics equations with radial basis function interpolation", Xu-Guang Hu, Tak-San Ho, H. A. Rabitz and A. Askar, Phys. Rev. E. 61, 5967 (2000)

Photosystem II Peripheral Accessory Chlorophyll Mutants in Chlamydomonas reinhardtii. Biochemical Characterization and Sensitivity to Photo-Inhibition12

PubMed Central

Ruffle, Stuart V.; Wang, Jun; Johnston, Heather G.; Gustafson, Terry L.; Hutchison, Ronald S.; Minagawa, Jun; Crofts, Anthony; Sayre, Richard T.

2001-01-01

In addition to the four chlorophylls (Chls) involved in primary charge separation, the photosystem II (PSII) reaction center polypeptides, D1 and D2, coordinate a pair of symmetry-related, peripheral accessory Chls. These Chls are axially coordinated by the D1-H118 and D2-H117 residues and are in close association with the proximal Chl antennae proteins, CP43 and CP47. To gain insight into the function(s) of each of the peripheral Chls, we generated site-specific mutations of the amino acid residues that coordinate these Chls and characterized their energy and electron transfer properties. Our results demonstrate that D1-H118 and D2-H117 mutants differ with respect to: (a) their relative numbers of functional PSII complexes, (b) their relative ability to stabilize charge-separated states, (c) light-harvesting efficiency, and (d) their sensitivity to photo-inhibition. The D2-H117N and D2-H117Q mutants had reduced levels of functional PSII complexes and oxygen evolution capacity as well as reduced light-harvesting efficiencies relative to wild-type cells. In contrast, the D1-H118Q mutant was capable of near wild-type rates of oxygen evolution at saturating light intensities. The D1-H118Q mutant also was substantially more resistant to photo-inhibition than wild type. This reduced sensitivity to photo-inhibition is presumably associated with a reduced light-harvesting efficiency in this mutant. Finally, it is noted that the PSII peripheral accessory Chls have similarities to a to a pair of Chls also present in the PSI reaction center complex. PMID:11598237

Service Coordination and Children's Functioning in a School-Based Intensive Mental Health Program

ERIC Educational Resources Information Center

Puddy, Richard W.; Roberts, Michael C.; Vernberg, Eric M.; Hambrick, Erin P.

2012-01-01

Coordination of mental health services in children with serious emotional disturbance (SED) has shown a preliminary relationship to positive outcomes in children. Yet, research in this area is sparse. Therefore, the relation between service coordination activities and adaptive functioning was examined for 51 children SED who were treated in the…

Barycentric parameterizations for isotropic BRDFs.

PubMed

Stark, Michael M; Arvo, James; Smits, Brian

2005-01-01

A bidirectional reflectance distribution function (BRDF) is often expressed as a function of four real variables: two spherical coordinates in each of the the "incoming" and "outgoing" directions. However, many BRDFs reduce to functions of fewer variables. For example, isotropic reflection can be represented by a function of three variables. Some BRDF models can be reduced further. In this paper, we introduce new sets of coordinates which we use to reduce the dimensionality of several well-known analytic BRDFs as well as empirically measured BRDF data. The proposed coordinate systems are barycentric with respect to a triangular support with a direct physical interpretation. One coordinate set is based on the BRDF model proposed by Lafortune. Another set, based on a model of Ward, is associated with the "halfway" vector common in analytical BRDF formulas. Through these coordinate sets we establish lower bounds on the approximation error inherent in the models on which they are based. We present a third set of coordinates, not based on any analytical model, that performs well in approximating measured data. Finally, our proposed variables suggest novel ways of constructing and visualizing BRDFs.

Designing Feature and Data Parallel Stochastic Coordinate Descent Method forMatrix and Tensor Factorization

DTIC Science & Technology

2016-05-11

AFRL-AFOSR-JP-TR-2016-0046 Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization U Kang Korea...maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or   any other aspect...Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386

Interval Graph Limits

PubMed Central

Diaconis, Persi; Holmes, Susan; Janson, Svante

2015-01-01

We work out a graph limit theory for dense interval graphs. The theory developed departs from the usual description of a graph limit as a symmetric function W (x, y) on the unit square, with x and y uniform on the interval (0, 1). Instead, we fix a W and change the underlying distribution of the coordinates x and y. We find choices such that our limits are continuous. Connections to random interval graphs are given, including some examples. We also show a continuity result for the chromatic number and clique number of interval graphs. Some results on uniqueness of the limit description are given for general graph limits. PMID:26405368

The Behavioural Contexts of Red Langur (Presbytis rubicunda) Loud Calls in the Wehea Forest, East Kalimantan, Indonesia.

PubMed

D'Agostino, Justin; Spehar, Stephanie N; Delgado, Roberto

2016-01-01

Researchers hypothesize that male loud calls play several roles in primate societies including in the context of intergroup spacing and spatial coordination. Field studies examining the behavioural correlates of vocalizations are essential to evaluate the function of these calls. This preliminary study, from July 2011 to January 2012, explores the behavioural contexts and correlates of male loud calls in a habituated group of red langurs (Presbytis rubicunda) in the Wehea Forest, East Kalimantan, Indonesia. In analysing 418 h of data collection, we find a total of 87 vocal behaviours, including bouts of multiple calls in rapid succession (i.e. calling events) and individual loud calls. In this sample, most vocal behaviour takes place in the morning with 59% of calling events occurring before 8.00 h. The mean rate of calling events is 0.12 events/h, and the mean rate of individual loud calls is 0.20 calls/h. The mean number of calling events per day is 1.31 (range: 0-4), and the mean number of individual loud calls per day is 2.81 (range: 0-13). The rate of calling events is highest in the context of intragroup conflict, followed by intergroup encounters, predator threat, group travel, and the highest number of individual loud calls occurred during intergroup encounters. Although these results are preliminary, they suggest that adult male loud calls among red langurs at Wehea may play a role in both intergroup spacing and social coordination, supporting the hypothesis that these calls can serve different functions. © 2016 S. Karger AG, Basel.

Bound-Preserving Discontinuous Galerkin Methods for Conservative Phase Space Advection in Curvilinear Coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mezzacappa, Anthony; Endeve, Eirik; Hauck, Cory D.

We extend the positivity-preserving method of Zhang & Shu [49] to simulate the advection of neutral particles in phase space using curvilinear coordinates. The ability to utilize these coordinates is important for non-equilibrium transport problems in general relativity and also in science and engineering applications with specific geometries. The method achieves high-order accuracy using Discontinuous Galerkin (DG) discretization of phase space and strong stabilitypreserving, Runge-Kutta (SSP-RK) time integration. Special care in taken to ensure that the method preserves strict bounds for the phase space distribution function f; i.e., f ϵ [0, 1]. The combination of suitable CFL conditions and themore » use of the high-order limiter proposed in [49] is su cient to ensure positivity of the distribution function. However, to ensure that the distribution function satisfies the upper bound, the discretization must, in addition, preserve the divergencefree property of the phase space ow. Proofs that highlight the necessary conditions are presented for general curvilinear coordinates, and the details of these conditions are worked out for some commonly used coordinate systems (i.e., spherical polar spatial coordinates in spherical symmetry and cylindrical spatial coordinates in axial symmetry, both with spherical momentum coordinates). Results from numerical experiments - including one example in spherical symmetry adopting the Schwarzschild metric - demonstrate that the method achieves high-order accuracy and that the distribution function satisfies the maximum principle.« less

Toward Quantitatively Accurate Calculation of the Redox-Associated Acid–Base and Ligand Binding Equilibria of Aquacobalamin

DOE PAGES

Johnston, Ryne C.; Zhou, Jing; Smith, Jeremy C.; ...

2016-07-08

In redox processes in complex transition metal-containing species are often intimately associated with changes in ligand protonation states and metal coordination number. Moreover, a major challenge is therefore to develop consistent computational approaches for computing pH-dependent redox and ligand dissociation properties of organometallic species. Reduction of the Co center in the vitamin B12 derivative aquacobalamin can be accompanied by ligand dissociation, protonation, or both, making these properties difficult to compute accurately. We examine this challenge here by using density functional theory and continuum solvation to compute Co ligand binding equilibrium constants (Kon/off), pKas and reduction potentials for models of aquacobalaminmore » in aqueous solution. We consider two models for cobalamin ligand coordination: the first follows the hexa, penta, tetra coordination scheme for Co III, Co II, and Co I species, respectively, and the second model features saturation of each vacant axial coordination site on Co II and Co I species with a single, explicit water molecule to maintain six directly interacting ligands or water molecules in each oxidation state. Comparing these two coordination schemes in combination with five dispersion-corrected density functionals, we find that the accuracy of the computed properties is largely independent of the scheme used, but including only a continuum representation of the solvent yields marginally better results than saturating the first solvation shell around Co throughout. PBE performs best, displaying balanced accuracy and superior performance overall, with RMS errors of 80 mV for seven reduction potentials, 2.0 log units for five pK as and 2.3 log units for two log K on/off values for the aquacobalamin system. Furthermore, we find that the BP86 functional commonly used in corrinoid studies suffers from erratic behavior and inaccurate descriptions of Co axial ligand binding, leading to substantial errors in predicted pK as and K on/off values. Finally, these findings demonstrate the effectiveness of the present approach for computing electrochemical and thermodynamic properties of a complex transition metal-containing cofactor.« less

Ab initio 27Al NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors

NASA Astrophysics Data System (ADS)

Ferreira, Ary R.; Küçükbenli, Emine; Leitão, Alexandre A.; de Gironcoli, Stefano

2011-12-01

The gauge-including projector augmented wave (GIPAW) method, within the density functional theory (DFT) generalized gradient approximation (GGA) framework, is applied to compute solid state NMR parameters for 27Al in the α, θ, and κ aluminium oxide phases and their gibbsite and boehmite precursors. The results for well established crystalline phases compare very well with available experimental data and provide confidence in the accuracy of the method. For γ-alumina, four structural models proposed in the literature are discussed in terms of their ability to reproduce the experimental spectra also reported in the literature. Among the considered models, the Fd3¯m structure proposed by Paglia [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.71.224115 71, 224115 (2005)] shows the best agreement. We attempt to link the theoretical NMR parameters to the local geometry. Chemical shifts depend on coordination number but no further correlation is found with geometrical parameters. Instead, our calculations reveal that, within a given coordination number, a linear correlation exists between chemical shifts and Born effective charges.

Melting curves and entropy of fusion of body-centered cubic tungsten under pressure

NASA Astrophysics Data System (ADS)

Liu, Chun-Mei; Chen, Xiang-Rong; Xu, Chao; Cai, Ling-Cang; Jing, Fu-Qian

2012-07-01

The melting curves and entropy of fusion of body-centered cubic (bcc) tungsten (W) under pressure are investigated via molecular dynamics (MD) simulations with extended Finnis-Sinclair (EFS) potential. The zero pressure melting point obtained is better than other theoretical results by MD simulations with the embedded-atom-method (EAM), Finnis-Sinclair (FS) and modified EAM potentials, and by ab initio MD simulations. Our radial distribution function and running coordination number analyses indicate that apart from the expected increase in disorder, the main change on going from solid to liquid is thus a slight decrease in coordination number. Our entropy of fusion of W during melting, ΔS, at zero pressure, 7.619 J/mol.K, is in good agreement with the experimental and other theoretical data. We found that, with the increasing pressure, the entropy of fusion ΔS decreases fast first and then oscillates with pressure; when the pressure is higher than 100 GPa, the entropy of fusion ΔS is about 6.575 ± 0.086 J/mol.K, which shows less pressure effect.

Three-dimensional function photonic crystals

NASA Astrophysics Data System (ADS)

Zhang, Hai-Feng

2017-11-01

In this paper, the properties of the photonic band gaps (PBGs) of three-dimensional (3D) function photonic crystals (PCs) are theoretically investigated by a modified plane wave expansion (PWE) method, whose equations for computations are deduced. The configuration of 3D function PCs is the dielectric spheres inserted in the air background with simple-cubic (SC) lattices whose dielectric constants are the functions of space coordinates, which can be realized by the electro-optical or optical Kerr effect in the practice. The influences of the parameter for 3D function PCs on the PBGs also are discussed. The calculated results show that the bandwidths and number of PBGs can be tuned with different distributions of function dielectrics. Compared with the conventional 3D dielectric PCs with SC lattices, the larger and more PBGs can be obtained in the 3D function PCs. Those results provide a new way to design the novel practical devices.

A Simple Method for Drawing Chiral Mononuclear Octahedral Metal Complexes

ERIC Educational Resources Information Center

Mohamadou, Aminou; Haudrechy, Arnaud

2008-01-01

Octahedral transition-metal complexes are involved in a number of reactions and octahedral coordination geometry, frequently observed for metallic centers, includes important topographical stereochemistry. Depending on the number and nature of different ligands, octahedral coordination units with at least two different monodentate ligands give…

Gap Junctions

PubMed Central

Nielsen, Morten Schak; Axelsen, Lene Nygaard; Sorgen, Paul L.; Verma, Vandana; Delmar, Mario; Holstein-Rathlou, Niels-Henrik

2013-01-01

Gap junctions are essential to the function of multicellular animals, which require a high degree of coordination between cells. In vertebrates, gap junctions comprise connexins and currently 21 connexins are known in humans. The functions of gap junctions are highly diverse and include exchange of metabolites and electrical signals between cells, as well as functions, which are apparently unrelated to intercellular communication. Given the diversity of gap junction physiology, regulation of gap junction activity is complex. The structure of the various connexins is known to some extent; and structural rearrangements and intramolecular interactions are important for regulation of channel function. Intercellular coupling is further regulated by the number and activity of channels present in gap junctional plaques. The number of connexins in cell-cell channels is regulated by controlling transcription, translation, trafficking, and degradation; and all of these processes are under strict control. Once in the membrane, channel activity is determined by the conductive properties of the connexin involved, which can be regulated by voltage and chemical gating, as well as a large number of posttranslational modifications. The aim of the present article is to review our current knowledge on the structure, regulation, function, and pharmacology of gap junctions. This will be supported by examples of how different connexins and their regulation act in concert to achieve appropriate physiological control, and how disturbances of connexin function can lead to disease. © 2012 American Physiological Society. Compr Physiol 2:1981-2035, 2012. PMID:23723031

High dosage of monosodium glutamate causes deficits of the motor coordination and the number of cerebellar Purkinje cells of rats.

PubMed

Prastiwi, D; Djunaidi, A; Partadiredja, G

2015-11-01

Monosodium glutamate (MSG) has been widely used throughout the world as a flavoring agent of food. However, MSG at certain dosages is also thought to cause damage to many organs, including cerebellum. This study aimed at investigating the effects of different doses of MSG on the motor coordination and the number of Purkinje cells of the cerebellum of Wistar rats. A total of 24 male rats aged 4 to 5 weeks were divided into four groups, namely, control (C), T2.5, T3, and T3.5 groups, which received intraperitoneal injection of 0.9% sodium chloride solution, 2.5 mg/g body weight (bw) of MSG, 3.0 mg/g bw of MSG, and 3.5 mg/g bw of MSG, respectively, for 10 consecutive days. The motor coordination of the rats was examined prior and subsequent to the treatment. The number of cerebellar Purkinje cells was estimated using physical fractionator method. It has been found that the administration of MSG at a dosage of 3.5 mg/g bw, but not at lower dosages, caused a significant decrease of motor coordination and the estimated total number of Purkinje cells of rats. There was also a significant correlation between motor coordination and the total number of Purkinje cells. © The Author(s) 2015.

CONSTRUCTION OF SCALAR AND VECTOR FINITE ELEMENT FAMILIES ON POLYGONAL AND POLYHEDRAL MESHES

PubMed Central

GILLETTE, ANDREW; RAND, ALEXANDER; BAJAJ, CHANDRAJIT

2016-01-01

We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic convex polytope meshes in dimensions 2 and 3. Our construction recovers well-known bases for the lowest order Nédélec, Raviart-Thomas, and Brezzi-Douglas-Marini elements on simplicial meshes and generalizes the notion of Whitney forms to non-simplicial convex polygons and polyhedra. We show that our basis functions lie in the correct function space with regards to global continuity and that they reproduce the requisite polynomial differential forms described by finite element exterior calculus. We present a method to count the number of basis functions required to ensure these two key properties. PMID:28077939

CONSTRUCTION OF SCALAR AND VECTOR FINITE ELEMENT FAMILIES ON POLYGONAL AND POLYHEDRAL MESHES.

PubMed

Gillette, Andrew; Rand, Alexander; Bajaj, Chandrajit

2016-10-01

We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic convex polytope meshes in dimensions 2 and 3. Our construction recovers well-known bases for the lowest order Nédélec, Raviart-Thomas, and Brezzi-Douglas-Marini elements on simplicial meshes and generalizes the notion of Whitney forms to non-simplicial convex polygons and polyhedra. We show that our basis functions lie in the correct function space with regards to global continuity and that they reproduce the requisite polynomial differential forms described by finite element exterior calculus. We present a method to count the number of basis functions required to ensure these two key properties.

Putative synaptic genes defined from a Drosophila whole body developmental transcriptome by a machine learning approach.

PubMed

Pazos Obregón, Flavio; Papalardo, Cecilia; Castro, Sebastián; Guerberoff, Gustavo; Cantera, Rafael

2015-09-15

Assembly and function of neuronal synapses require the coordinated expression of a yet undetermined set of genes. Although roughly a thousand genes are expected to be important for this function in Drosophila melanogaster, just a few hundreds of them are known so far. In this work we trained three learning algorithms to predict a "synaptic function" for genes of Drosophila using data from a whole-body developmental transcriptome published by others. Using statistical and biological criteria to analyze and combine the predictions, we obtained a gene catalogue that is highly enriched in genes of relevance for Drosophila synapse assembly and function but still not recognized as such. The utility of our approach is that it reduces the number of genes to be tested through hypothesis-driven experimentation.

Lead and aluminum bonding in Pb-AI metaphosphate glasses.

PubMed

Tsuchida, J E; Schneider, J; Pizani, P S; Oliveira, S L

2008-01-21

The bonding properties of cations in phosphate glasses determine many short- and medium-range structural features in the glass network, hence influencing bulk properties. In this work, Pb-Al-metaphosphate glasses (1 - x)Pb(PO(3))(2).xAI(PO(3))(3) with 0 < or = x < or = 1 were analyzed to determine the effect of the substitution of Pb by AI on the glass structure in the metaphosphate composition. The glass transition temperature and density were measured as a function of the Al concentration. The vibrational and structural properties were probed by Raman spectroscopy and nuclear magnetic resonance of (31)P, (27)AI, and (207)Pb. Aluminum incorporates homogeneously in the glass creating a stiffer and less packed network. The average coordination number for AI decreases from 5.9 to 5.0 as x increases from 0.1 to 1, indicating more covalent AI-O bonds. The coordination number of Pb in these glasses is greater than 8, showing an increasing ionic behavior for compositions richer in AI. A quantitative analysis of the phosphate speciation shows definite trends in the bonding of AIO(n) groups and phosphate tetrahedra. In glasses with x < 0.48, phosphate groups share preferentially only one nonbridging O corner with an AIO(n) coordination polyhedron. For x > 0.48 more than one nonbridging O can be linked to AIO(n) polyhedra. There is no corner sharing of O between AIO(n) and PbO(n) polyhedra nor between AIO(n) themselves throughout the compositional range. The PbO(n) coordination polyhedra show considerable nonbridging O sharing, with each O participating in the coordination sphere of at least two Pb. The bonding preferences determined for Al are consistent with the behavior observed in Na-AI and Ca-AI metaphosphates, indicating this may be a general behavior for ternary phosphate glasses.

Age-Dependent Relationship between Socio-Adaptability and Motor Coordination in High Functioning Children with Autism Spectrum Disorder

ERIC Educational Resources Information Center

Kostrubiec, Viviane; Huys, Raoul; Jas, Brunhilde; Kruck, Jeanne

2018-01-01

Abnormal perceptual-motor coordination is hypothesized here to be involved in social deficits of autism spectrum disorder (ASD). To test this hypothesis, high functioning children with ASD and typical controls, similar in age as well as verbal and perceptive performance, performed perceptual-motor coordination tasks and several social competence…

The Falcon and the Trident: Air Force-Navy Airpower Coordination and the New MRC Model

DTIC Science & Technology

1994-06-01

other ships from Australia and New Zealand , quickly placed themselves at NavFE’s disposal. At the same time, MacArthur received orders from the JCS...THE FALCON AND THE TRIDENT: AIR FORCE-NAVY AIRPOWER COORDINATION AND THE NEW MRC MODEL MARK S. HOFFMAN, MAJ, USAF...TITLE AND SUBTITLE The Falcon and The Trident: Air Force-Navy Airpower Coordination and The New MRC Model 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c

Sector magnets or transverse electromagnetic fields in cylindrical coordinates

DOE PAGES

Zolkin, T.

2017-04-10

Laplace’s equation is considered for scalar and vector potentials describing electric or magnetic fields in cylindrical coordinates, with invariance along the azimuthal coordinate. In a series, we found special functions which, when expanded to lowest order in power series in radial and vertical coordinates, replicate harmonic polynomials in two variables. These functions are based on radial harmonics found by Edwin M. McMillan forty years ago. In addition to McMillan’s harmonics, a second family of radial harmonics is introduced to provide a symmetric description between electric and magnetic fields and to describe fields and potentials in terms of the same functions.more » Formulas are provided which relate any transverse fields specified by the coefficients in the power series expansion in radial or vertical planes in cylindrical coordinates with the set of new functions. Our result is important for potential theory and for theoretical study, design and proper modeling of sector dipoles, combined function dipoles and any general sector element for accelerator physics. All results are presented in connection with these problems.« less

Sector magnets or transverse electromagnetic fields in cylindrical coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolkin, T.

Laplace’s equation is considered for scalar and vector potentials describing electric or magnetic fields in cylindrical coordinates, with invariance along the azimuthal coordinate. In a series, we found special functions which, when expanded to lowest order in power series in radial and vertical coordinates, replicate harmonic polynomials in two variables. These functions are based on radial harmonics found by Edwin M. McMillan forty years ago. In addition to McMillan’s harmonics, a second family of radial harmonics is introduced to provide a symmetric description between electric and magnetic fields and to describe fields and potentials in terms of the same functions.more » Formulas are provided which relate any transverse fields specified by the coefficients in the power series expansion in radial or vertical planes in cylindrical coordinates with the set of new functions. Our result is important for potential theory and for theoretical study, design and proper modeling of sector dipoles, combined function dipoles and any general sector element for accelerator physics. All results are presented in connection with these problems.« less

Time Independent Functional task Training: a case study on the effect of inter-joint coordination driven haptic guidance in stroke therapy.

PubMed

Brokaw, Elizabeth B; Murray, Theresa M; Nef, Tobias; Lum, Peter S; Brokaw, Elizabeth B; Nichols, Diane; Holley, Rahsaan J

2011-01-01

After a stroke abnormal joint coordination of the arm may limit functional movement and recovery. To aid in training inter-joint movement coordination a haptic guidance method for functional driven rehabilitation after stroke called Time Independent Functional Training (TIFT) has been developed for the ARMin III robot. The mode helps retraining inter-joint coordination during functional movements, such as putting an object on a shelf, pouring from a pitcher, and sorting objects into bins. A single chronic stroke subject was tested for validation of the modality. The subject was given 1.5 hrs of robotic therapy twice a week for 4 weeks. The therapy and the results of training the single stroke subject are discussed. The subject showed a decrease in training joint error for the sorting task across training sessions and increased self-selected movement time in training. In kinematic reaching analysis the subject showed improvements in range of motion and joint coordination in a reaching task, as well as improvements in supination-pronation range of motion at the wrist. © 2011 IEEE

Thiol-functionalization of metal-organic framework by a facile coordination-based postsynthetic strategy and enhanced removal of Hg2+ from water.

PubMed

Ke, Fei; Qiu, Ling-Guang; Yuan, Yu-Peng; Peng, Fu-Min; Jiang, Xia; Xie, An-Jian; Shen, Yu-Hua; Zhu, Jun-Fa

2011-11-30

The presence of coordinatively unsaturated metal centers in metal-organic frameworks (MOFs) provides an accessible way to selectively functionalize MOFs through coordination bonds. In this work, we describe thiol-functionalization of MOFs by choosing a well known three-dimensional (3D) Cu-based MOF, i.e. [Cu(3)(BTC)(2)(H(2)O)(3)](n) (HKUST-1, BTC=benzene-1,3,5-tricarboxylate), by a facile coordination-based postsynthetic strategy, and demonstrate their application for removal of heavy metal ion from water. A series of [Cu(3)(BTC)(2)](n) samples stoichiometrically decorated with thiol groups has been prepared through coordination bonding of coordinatively unsaturated metal centers in HKUST-1 with -SH group in dithioglycol. The obtained thiol-functionalized samples were characterized by powder X-ray diffraction, scanning electron microscope, energy dispersive X-ray spectroscopy, infrared spectroscopy, and N(2) sorption-desorption isothermal. Significantly, the thiol-functionalized [Cu(3)(BTC)(2)](n) exhibited remarkably high adsorption affinity (K(d)=4.73 × 10(5)mL g(-1)) and high adsorption capacity (714.29 mg g(-1)) for Hg(2+) adsorption from water, while the unfunctionalized HKUST-1 showed no adsorption of Hg(2+) under the same condition. Copyright © 2011 Elsevier B.V. All rights reserved.

Ultrasound-based coordinate measuring system for estimating cervical dysfunction during functional movement.

PubMed

Hemmati, Nima; Abolhassani, Mohammad Djavad; Forghani, Arash

2008-01-01

Cervical range of motion (ROM) is a part of the dynamic component of spine evaluation and can be used as an indication of dysfunction in anatomical structures as well as a diagnostic aid in patients with neck pain. Studies indicate that movement coordination of axial segments such as head in dynamic state, disrupted in pathologic conditions. In recent years, a number of non-invasive instruments with varying degrees of accuracy and repeatability have been utilized to measure active or passive range of motion in asymptomatic adults. The aim of this investigation is to design and implement a new method by evidence based approach for estimating the level of defect in segment stability and improvement after treatment by measuring quality or quantity of movement among cervical segment. Transmitter sensors which have been mounted on body send ultrasonic burst signal periodically and from the delay time it takes for this burst to reach three other sensors which arranged on a T-shape Mechanical base, three dimensional position of the transmitter can be calculated. After sending 3D coordination data to a PC via USB port, a complex and elaborative Visual Basic software calculate the angular dispersion and acceleration for each segment separately. This software also calculates the stabilization parameters such as anchoring index (AI) and cross-correlation function (CCF) between head and trunk.

Short-range structure and cation bonding in calcium-aluminum metaphosphate glasses.

PubMed

Schneider, J; Oliveira, S L; Nunes, L A O; Bonk, F; Panepucci, H

2005-01-24

Comprehension of short- and medium-range order of phosphate glasses is a topic of interest, due to the close relation between network structure and mechanical, thermal, and optical properties. In this work, the short-range structure of glasses (1 - x)Ca(PO(3))(2).xAl(PO(3))(3) with 0 < or = x < or = 0.47 was studied using solid-state nuclear magnetic resonance spectroscopy, Raman spectroscopy, density measurements, and differential scanning calorimetry. The bonding between a network modifier species, Al, and the network forming phosphate groups was probed using high-resolution nuclear magnetic resonance spectroscopy of (27)Al and (31)P. Changes in the compositional behavior of the density, glass transition temperature, PO(2) symmetric vibrations, and Al coordination number were verified at around x = 0.30. (31)P NMR spectra show the presence of phosphorus in Q(2) sites with nonbridging oxygens (NBOs) coordinated by Ca ions and also Q(2) sites with one NBO coordinated by Al (namely, Q(2)(1Al)). The changes in the properties as a function of x can be understood by considering the mean coordination number measured for Al and the formation of only Q(2) and Q(2)(1Al) species. It is possible to calculate that a network formed only by Q(2)(1Al) phosphates can just exist up to the upper limit of x = 0.48. Above this value, Q(2)(2Al) species should appear, imposing a major reorganization of the network. Above x = 0.30 the network undergoes a progressive reorganization to incorporate Al ions, maintaining the condition that only Q(2)(1Al) species are formed. These observations support the idea that bonding principles for cationic species inferred originally in binary phosphate glasses can also be extended to ternary systems.

Signal Timing and Coordination Strategies Under Varying Traffic Demands

DOT National Transportation Integrated Search

2012-07-01

Current practice for signal timing and signal coordination is to develop and operate a limited number of predetermined time-of-day plans. Coordination plans are commonly developed for and based on weekday morning, mid-day, evening, and weekend peak p...

In-situ High-energy X-ray Diffraction Study of the Local Structure of Supercooled Liquid Si

NASA Technical Reports Server (NTRS)

Lee, G. W.; Kim, T. H.; Sieve, B.; Gangopadhyay, A. K.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, D. S.; Kelton, K. F.; Goldman, A. I.

2005-01-01

While changes in the coordination number for liquid silicon upon supercooling, signaling an underlying liquid-liquid phase transition, have been predicted, x-ray and neutron measurements have produced conflicting reports. In particular some studies have found an increase in the first shell coordination as temperature decreases in the supercooled regime, while others have reported increases in the coordination number with decreasing temperature. Employing the technique of electrostatic levitation coupled with high energy x-ray diffraction (125 keV), and rapid data acquisition (100ms collection times) using an area detector, we have obtained high quality structural data more deeply into the supercooled regime than has been possible before. No change in coordination number is observed in this temperature region, calling into question previous experimental claims of structural evidence for the existence of a liquid-liquid phase transition.

Solvation and Ion Pair Association in Aqueous Metal Sulfates: Interpretation of NDIS raw data by isobaric-isothermal molecular dynamics simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chialvo, Ariel A; Simonson, J Michael

2010-01-01

We analyzed the solvation behavior of aqueous lithium, nickel, and ytterbium sulfates at ambient conditions in terms of the relevant radial distributions functions and the corresponding first-order difference of the sulfur-site neutronweighted distribution functions generated by isothermal-isobaric molecular dynamics simulation. We determined of the partial contributions to the neutronweighted distribution functions, to identify the main peaks, and the effect of the contact ion-pair configuration on the resulting H ! S coordination number. Finally, we assessed the extent of the ion-pair formation according to Poirier- DeLap formalism and highlighted the significant increase of the ion-pair association exhibited by these salts withmore » cation charge.« less

Solvation of Na^+ in water from first-principles molecular dynamics

NASA Astrophysics Data System (ADS)

White, J. A.; Schwegler, E.; Galli, G.; Gygi, F.

2000-03-01

We have carried out ab initio molecular dynamics (MD) simulations of the Na^+ ion in water with an MD cell containing a single alkali ion and 53 water molecules. The electron-electron and electron-ion interactions were modeled by density functional theory with a generalized gradient approximation for the exchange-correlation functional. The computed radial distribution functions, coordination numbers, and angular distributions are consistent with available experimental data. The first solvation shell contains 5.2±0.6 water molecules, with some waters occasionally exchanging with those of the second shell. The computed Na^+ hydration number is larger than that from calculations for water clusters surrounding an Na^+ ion, but is consistent with that derived from x-ray measurements. Our results also indicate that the first hydration shell is better defined for Na^+ than for K^+ [1], as indicated by the first minimum in the Na-O pair distribution function. [1] L.M. Ramaniah, M. Bernasconi, and M. Parrinello, J. Chem. Phys. 111, 1587 (1999). This work was performed for DOE under contract W-7405-ENG-48.

How to model moon signals using 2-dimensional Gaussian function: Classroom activity for measuring nighttime cloud cover

NASA Astrophysics Data System (ADS)

Gacal, G. F. B.; Lagrosas, N.

2016-12-01

Nowadays, cameras are commonly used by students. In this study, we use this instrument to look at moon signals and relate these signals to Gaussian functions. To implement this as a classroom activity, students need computers, computer software to visualize signals, and moon images. A normalized Gaussian function is often used to represent probability density functions of normal distribution. It is described by its mean m and standard deviation s. The smaller standard deviation implies less spread from the mean. For the 2-dimensional Gaussian function, the mean can be described by coordinates (x0, y0), while the standard deviations can be described by sx and sy. In modelling moon signals obtained from sky-cameras, the position of the mean (x0, y0) is solved by locating the coordinates of the maximum signal of the moon. The two standard deviations are the mean square weighted deviation based from the sum of total pixel values of all rows/columns. If visualized in three dimensions, the 2D Gaussian function appears as a 3D bell surface (Fig. 1a). This shape is similar to the pixel value distribution of moon signals as captured by a sky-camera. An example of this is illustrated in Fig 1b taken around 22:20 (local time) of January 31, 2015. The local time is 8 hours ahead of coordinated universal time (UTC). This image is produced by a commercial camera (Canon Powershot A2300) with 1s exposure time, f-stop of f/2.8, and 5mm focal length. One has to chose a camera with high sensitivity when operated at nighttime to effectively detect these signals. Fig. 1b is obtained by converting the red-green-blue (RGB) photo to grayscale values. The grayscale values are then converted to a double data type matrix. The last conversion process is implemented for the purpose of having the same scales for both Gaussian model and pixel distribution of raw signals. Subtraction of the Gaussian model from the raw data produces a moonless image as shown in Fig. 1c. This moonless image can be used for quantifying cloud cover as captured by ordinary cameras (Gacal et al, 2016). Cloud cover can be defined as the ratio of number of pixels whose values exceeds 0.07 and the total number of pixels. In this particular image, cloud cover value is 0.67.

Extending the NIF DISCO framework to automate complex workflow: coordinating the harvest and integration of data from diverse neuroscience information resources

PubMed Central

Marenco, Luis N.; Wang, Rixin; Bandrowski, Anita E.; Grethe, Jeffrey S.; Shepherd, Gordon M.; Miller, Perry L.

2014-01-01

This paper describes how DISCO, the data aggregator that supports the Neuroscience Information Framework (NIF), has been extended to play a central role in automating the complex workflow required to support and coordinate the NIF’s data integration capabilities. The NIF is an NIH Neuroscience Blueprint initiative designed to help researchers access the wealth of data related to the neurosciences available via the Internet. A central component is the NIF Federation, a searchable database that currently contains data from 231 data and information resources regularly harvested, updated, and warehoused in the DISCO system. In the past several years, DISCO has greatly extended its functionality and has evolved to play a central role in automating the complex, ongoing process of harvesting, validating, integrating, and displaying neuroscience data from a growing set of participating resources. This paper provides an overview of DISCO’s current capabilities and discusses a number of the challenges and future directions related to the process of coordinating the integration of neuroscience data within the NIF Federation. PMID:25018728

Extending the NIF DISCO framework to automate complex workflow: coordinating the harvest and integration of data from diverse neuroscience information resources.

PubMed

Marenco, Luis N; Wang, Rixin; Bandrowski, Anita E; Grethe, Jeffrey S; Shepherd, Gordon M; Miller, Perry L

2014-01-01

This paper describes how DISCO, the data aggregator that supports the Neuroscience Information Framework (NIF), has been extended to play a central role in automating the complex workflow required to support and coordinate the NIF's data integration capabilities. The NIF is an NIH Neuroscience Blueprint initiative designed to help researchers access the wealth of data related to the neurosciences available via the Internet. A central component is the NIF Federation, a searchable database that currently contains data from 231 data and information resources regularly harvested, updated, and warehoused in the DISCO system. In the past several years, DISCO has greatly extended its functionality and has evolved to play a central role in automating the complex, ongoing process of harvesting, validating, integrating, and displaying neuroscience data from a growing set of participating resources. This paper provides an overview of DISCO's current capabilities and discusses a number of the challenges and future directions related to the process of coordinating the integration of neuroscience data within the NIF Federation.

The structural, electronic and spectroscopic properties of 4FPBAPE molecule: Experimental and theoretical study

NASA Astrophysics Data System (ADS)

Tanış, Emine; Babur Sas, Emine; Kurban, Mustafa; Kurt, Mustafa

2018-02-01

The experimental and theoretical study of 4-Formyl Phenyl Boronic Acid Pinacol Ester (4FPBAPE) molecule were performed in this work. 1H, 13C NMR and UV-Vis spectra were tested in dimethyl sulfoxide (DMSO). The structural, spectroscopic properties and energies of 4FPBAPE were obtained for two potential conformers from density functional theory (DFT) with B3LYP/6-311G (d, p) and CAM-B3LYP/6-311G (d, p) basis sets. The optimal geometry of those structures was obtained according to the position of oxygen atom upon determining the scan coordinates for each conformation. The most stable conformer was found as the A2 form. The fundamental vibrations were determined based on optimized structure in terms of total energy distribution. Electronic properties such as oscillator strength, wavelength, excitation energy, HOMO, LUMO and molecular electrostatic potential and structural properties such as radial distribution functions (RDF) and probability density depending on coordination number are presented. Theoretical results of 4-FPBAPE spectra were found to be compatible with observed spectra.

Swallowing function and chronic respiratory diseases: Systematic review.

PubMed

Ghannouchi, Ines; Speyer, Renée; Doma, Kenji; Cordier, Reinie; Verin, Eric

2016-08-01

The precise coordination between breathing and swallowing is an important mechanism to prevent pulmonary aspiration. Factors that alter breathing patterns and ventilation, such as chronic respiratory diseases, may influence that precise coordination of breathing and swallowing. The purpose of this systematic literature review is to examine the effects of chronic respiratory diseases on swallowing function. Literature searches were performed using the electronic databases PubMed and Embase. All articles meeting the eligibility criteria up to March 2016 were included. All articles included studied Chronic Obstructive Pulmonary Diseases (COPD) or Obstructive Sleep Apnea (OSA); no studies involving other respiratory diseases were found. A total of 1069 abstracts were retrieved, of which twenty-six studies met the inclusion criteria; eleven studies dealt with OSA and fifteen studies dealt with COPD. The outcome data indicate that chronic respiratory diseases increase the prevalence of oropharyngeal dysphagia (OD) in patients. However, the relative small number of studies, differences in selection criteria, definitions and assessment techniques used for diagnosing OSA, COPD, and OD point to the need for further research. Copyright © 2016 Elsevier Ltd. All rights reserved.

On the localisation of four-dimensional brane-world black holes: II. The general case

NASA Astrophysics Data System (ADS)

Kanti, P.; Pappas, N.; Pappas, T.

2016-01-01

We perform a comprehensive analysis of a number of scalar field theories in an attempt to find analytically five-dimensional, localised-on-the-brane, black-hole solutions. Extending a previous analysis, we assume a generalised Vaidya ansatz for the five-dimensional metric tensor that allows for a time-dependent, non-trivial profile of the mass function in terms of the bulk coordinate and a deviation from the over-restricting Schwarzschild-type solution on the brane. In order to support such a solution, we study a variety of theories including single or multiple scalar fields, with canonical or non-canonical kinetic terms, minimally or non-minimally coupled to gravity. We demonstrate that for such a metric ansatz and for a carefully chosen energy-momentum tensor which is non-isotropic in five dimensions, solutions that have the form of a Schwarzschild-(anti)de Sitter or Reissner-Nordstrom type of solution do emerge. However, the resulting profile of the mass function along the bulk coordinate, when allowed, is not the correct one for eliminating bulk singularities.

Algebraic function operator expectation value based quantum eigenstate determination: A case of twisted or bent Hamiltonian, or, a spatially univariate quantum system on a curved space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baykara, N. A.

Recent studies on quantum evolutionary problems in Demiralp’s group have arrived at a stage where the construction of an expectation value formula for a given algebraic function operator depending on only position operator becomes possible. It has also been shown that this formula turns into an algebraic recursion amongst some finite number of consecutive elements in a set of expectation values of an appropriately chosen basis set over the natural number powers of the position operator as long as the function under consideration and the system Hamiltonian are both autonomous. This recursion corresponds to a denumerable infinite number of algebraicmore » equations whose solutions can or can not be obtained analytically. This idea is not completely original. There are many recursive relations amongst the expectation values of the natural number powers of position operator. However, those recursions may not be always efficient to get the system energy values and especially the eigenstate wavefunctions. The present approach is somehow improved and generalized form of those expansions. We focus on this issue for a specific system where the Hamiltonian is defined on the coordinate of a curved space instead of the Cartesian one.« less

Effectiveness of Healthcare Coordination in Patients with Chronic Respiratory Diseases.

PubMed

Kurpas, Donata; Szwamel, Katarzyna; Lenarcik, Dorota; Guzek, Marika; Prusaczyk, Artur; Żuk, Paweł; Michalowska, Jolanta; Grzeda, Agnieszka; Mroczek, Bożena

2017-08-12

Coordination of healthcare effectively prevents exacerbations and reduces the number of hospitalizations, emergency visits, and the mortality rate in patients with chronic respiratory diseases. The purpose of this study was to determine clinical effectiveness of ambulatory healthcare coordination in chronic respiratory patients and its effect on the level of healthcare services as an indicator of direct medical costs. We conducted a retrospective health record survey, using an online database of 550 patients with chronic respiratory diseases. There were decreases in breathing rate, heart rate, and the number of cigarettes smoked per day, and forced vital capacity (FVC) and forced expired volume in 1 s (FEV1) increased after the implementation of the coordinated healthcare structure. These benefits were accompanied by increases in the number of visits to the pulmonary outpatient clinic (p < 0.001), diagnostic costs (p < 0.001), and referrals to other outpatient clinics (p < 0.003) and hospitals (p < 0.001). The advantageous effects of healthcare coordination on clinical status of respiratory patients above outlined persisted over a 3-year period being reviewed.

The theory precision analyse of RFM localization of satellite remote sensing imagery

NASA Astrophysics Data System (ADS)

Zhang, Jianqing; Xv, Biao

2009-11-01

The tradition method of detecting precision of Rational Function Model(RFM) is to make use of a great deal check points, and it calculates mean square error through comparing calculational coordinate with known coordinate. This method is from theory of probability, through a large number of samples to statistic estimate value of mean square error, we can think its estimate value approaches in its true when samples are well enough. This paper is from angle of survey adjustment, take law of propagation of error as the theory basis, and it calculates theory precision of RFM localization. Then take the SPOT5 three array imagery as experiment data, and the result of traditional method and narrated method in the paper are compared, while has confirmed tradition method feasible, and answered its theory precision question from the angle of survey adjustment.

Seventeen-Coordinate Actinide Helium Complexes.

PubMed

Kaltsoyannis, Nikolas

2017-06-12

The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe 17 3+ , ThHe 17 4+ , and PaHe 17 4+ are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHe n 3+ (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R 2 >0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The influence of cations on lithium ion coordination and transport in ionic liquid electrolytes: a MD simulation study.

PubMed

Lesch, Volker; Li, Zhe; Bedrov, Dmitry; Borodin, Oleg; Heuer, Andreas

2016-01-07

The dynamical and structural properties in two ionic liquid electrolytes (ILEs) based on 1-ethyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)-imide ([emim][TFSI]) and N-methyl-N-propylpyrrolidinium bis-(trifluoromethanesulfonyl)imide([pyr13][TFSI]) were compared as a function of lithium bis-(trifluoromethanesulfonyl)-imide (LiTFSI) salt concentrations using atomistic molecular dynamics (MD) simulations. The many-body polarizable APPLE&P force field has been utilized. The influence of anion polarization on the structure of the first coordination shell of Li(+) was examined. In particular, the reduction of the oxygen of the TFSI anion (OTFSI) polarizability from 1.36 Å(3) to 1.00 Å(3) resulted in an increased fraction of the TFSI anion bidentate coordination to the Li(+). While the overall dynamics in [pyr13][TFSI]-based ILEs was slower than in [emim][TFSI]-based ILEs, the exchange of TFSI anions in and out of the first coordination shell of Li(+) was found to be faster in pyr13-based systems. The Li(+) ion transference number is higher for these systems as well. These trends can be related to the difference in interaction of TFSI with the IL cation which is stronger for pyr13 than for emim.

Three-Dimensional Piecewise-Continuous Class-Shape Transformation of Wings

NASA Technical Reports Server (NTRS)

Olson, Erik D.

2015-01-01

Class-Shape Transformation (CST) is a popular method for creating analytical representations of the surface coordinates of various components of aerospace vehicles. A wide variety of two- and three-dimensional shapes can be represented analytically using only a modest number of parameters, and the surface representation is smooth and continuous to as fine a degree as desired. This paper expands upon the original two-dimensional representation of airfoils to develop a generalized three-dimensional CST parametrization scheme that is suitable for a wider range of aircraft wings than previous formulations, including wings with significant non-planar shapes such as blended winglets and box wings. The method uses individual functions for the spanwise variation of airfoil shape, chord, thickness, twist, and reference axis coordinates to build up the complete wing shape. An alternative formulation parameterizes the slopes of the reference axis coordinates in order to relate the spanwise variation to the tangents of the sweep and dihedral angles. Also discussed are methods for fitting existing wing surface coordinates, including the use of piecewise equations to handle discontinuities, and mathematical formulations of geometric continuity constraints. A subsonic transport wing model is used as an example problem to illustrate the application of the methodology and to quantify the effects of piecewise representation and curvature constraints.

On differential transformations between Cartesian and curvilinear (geodetic) coordinates

NASA Technical Reports Server (NTRS)

Soler, T.

1976-01-01

Differential transformations are developed between Cartesian and curvilinear orthogonal coordinates. Only matrix algebra is used for the presentation of the basic concepts. After defining the reference systems used the rotation (R), metric (H), and Jacobian (J) matrices of the transformations between cartesian and curvilinear coordinate systems are introduced. A value of R as a function of H and J is presented. Likewise an analytical expression for J(-1) as a function of H(-2) and R is obtained. Emphasis is placed on showing that differential equations are equivalent to conventional similarity transformations. Scaling methods are discussed along with ellipsoidal coordinates. Differential transformations between elipsoidal and geodetic coordinates are established.

Functional Performance of Children with Developmental Coordination Disorder at Home and at School

ERIC Educational Resources Information Center

Wang, Tien-Ni; Tseng, Mei-Hui; Wilson, Brenda N.; Hu, Fu-Chang

2009-01-01

This study investigated the functional performance of daily activities at home and at school in a population-based sample of children with different degrees of motor coordination impairment and competence. Sixteen children (seven males, nine females; mean age 8y, SD 9mo) with developmental coordination disorder (DCD), 25 with suspected DCD ([sDCD]…

[The effects of Cardiodoron on cardio-respiratory coordination--a literature review].

PubMed

Cysarz, D; Heckmann, C; Kümmell, H C

2002-10-01

In healthy subjects self-regulation of the organism establishes the order of rhythmical functions. This self-regulation is altered in patients suffering from idiopathic orthostatic syndrome resulting from disturbances of functional aspects only. Thus the cardio-respiratory coordination, which may serve as the representative of the order of rhythmical functions, is modified. In the case of idiopathic orthostatic syndrome the anthroposophic medicine offers the medicament Cardiodoron(r). Does it stimulate self-regulation in order to normalise the cardio-respiratory coordination? This claim is analysed by a systematic review of the literature. Only those publications were considered where the cardio-respiratory coordination was analysed in studies with patients or healthy subjects. The methods of the studies with patients and healthy subjects vary strongly. Nevertheless, a normalisation of the cardio-respiratory coordination could be found in studies with patients suffering from idiopathic orthostatic syndrome as well as in studies with healthy subjects. The studies show that the use of the medicament results in a normalisation of the cardiorespiratory coordination. By stimulating the self-regulation the medicament leads to an improvement of the order of rhythmical functions in the human organism. Copyright 2002 S. Karger GmbH, Freiburg

Altered brain connectivity in sagittal craniosynostosis.

PubMed

Beckett, Joel S; Brooks, Eric D; Lacadie, Cheryl; Vander Wyk, Brent; Jou, Roger J; Steinbacher, Derek M; Constable, R Todd; Pelphrey, Kevin A; Persing, John A

2014-06-01

Sagittal nonsyndromic craniosynostosis (sNSC) is the most common form of NSC. The condition is associated with a high prevalence (> 50%) of deficits in executive function. The authors employed diffusion tensor imaging (DTI) and functional MRI to evaluate whether hypothesized structural and functional connectivity differences underlie the observed neurocognitive morbidity of sNSC. Using a 3-T Siemens Trio MRI system, the authors collected DTI and resting-state functional connectivity MRI data in 8 adolescent patients (mean age 12.3 years) with sNSC that had been previously corrected via total vault cranioplasty and 8 control children (mean age 12.3 years) without craniosynostosis. Data were analyzed using the FMRIB Software Library and BioImageSuite. Analyses of the DTI data revealed white matter alterations approaching statistical significance in all supratentorial lobes. Statistically significant group differences (sNSC < control group) in mean diffusivity were localized to the right supramarginal gyrus. Analysis of the resting-state seed in relation to whole-brain data revealed significant increases in negative connectivity (anticorrelations) of Brodmann area 8 to the prefrontal cortex (Montreal Neurological Institute [MNI] center of mass coordinates [x, y, z]: -6, 53, 6) and anterior cingulate cortex (MNI coordinates 6, 43, 14) in the sNSC group relative to controls. Furthermore, in the sNSC patients versus controls, the Brodmann area 7, 39, and 40 seed had decreased connectivity to left angular gyrus (MNI coordinates -31, -61, 34), posterior cingulate cortex (MNI coordinates 13, -52, 18), precuneus (MNI coordinates 10, -55, 54), left and right parahippocampus (MNI coordinates -13, -52, 2 and MNI coordinates 11, -50, 2, respectively), lingual (MNI coordinates -11, -86, -10), and fusiform gyri (MNI coordinates -30, -79, -18). Intrinsic connectivity analysis also revealed altered connectivity between central nodes in the default mode network in sNSC relative to controls; the left and right posterior cingulate cortices (MNI coordinates -5, -35, 34 and MNI coordinates 6, -42, 39, respectively) were negatively correlated to right hemisphere precuneus (MNI coordinates 6, -71, 46), while the left ventromedial prefrontal cortex (MNI coordinates 6, 34, -8) was negatively correlated to right middle frontal gyrus (MNI coordinates 40, 4, 33). All group comparisons (sNSC vs controls) were conducted at a whole brain-corrected threshold of p < 0.05. This study demonstrates altered neocortical structural and functional connectivity in sNSC that may, in part or substantially, underlie the neuropsychological deficits commonly reported in this population. Future studies combining analysis of multimodal MRI and clinical characterization data in larger samples of participants are warranted.

Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.

We introduce a new family of complexes with the general formula [Ru n(tda)(py)2] m+ (n = 2, m = 0, 1; n = 3, m = 1, 2 +; n = 4, m = 2, 3 2+), with tda 2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [Ru IV(OH)(tda-κ-N 3O)(py) 2] +, 4H +, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 3 2+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), includingmore » solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Ru center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H + can be generated potentiometrically, or voltammetrically, from 3 2+, and both coexist in solution. While complex 3 2+ is not catalytically active, the catalytic performance of complex 4H + is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s –1 at pH 7.0 and 50,000 s –1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H +, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.« less

Subtyping children with developmental coordination disorder based on physical fitness outcomes.

PubMed

Aertssen, Wendy; Bonney, Emmanuel; Ferguson, Gillian; Smits-Engelsman, Bouwien

2018-05-28

Children with Developmental Coordination Disorder (DCD) are known to have poor physical fitness. However, differentiating homogenous subgroups of DCD using fitness performance has not yet been established. Therefore the purpose of this study was to identify subtypes in children with and without DCD using measures of physical fitness. Children (aged 6-10 years, n = 217) constituted the sample for this study. They were assessed on 1) aerobic fitness (20m Shuttle Run test), 2) anaerobic fitness (Muscle Power Sprint Test), 3) isometric muscle strength (handheld dynamometry) 4) functional upper and lower body strength (Functional Strength Measurement) and 5) motor coordination [Movement Assessment Battery for Children-2nd edition (MABC-2) test]. The Ward method was used to identify the various clusters. Five subtypes emerged in the entire sample. In the typically developing (TD) children mainly 2 subtypes (number 5 and 2) were found containing 89% of the TD children (n = 55), with the largest group demonstrating above average performance on all measures (cluster 5). Children in subtype 2 had just above average motor coordination and good aerobic fitness but lower muscle strength. Subtypes 1, 3 and 4 were clearly "DCD" clusters, however they showed difference in fitness performance. Subtype 1 contained children with DCD who showed poor performance on all fitness outcomes (n = 45). Children with DCD in subtype 3 had poor aerobic but average strength and anaerobic fitness (n = 48). Subtype 4 contained children with DCD (n = 45) who had good muscle strength and anaerobic fitness. Of these, 36% were at risk of DCD while 24% had definite motor coordination problems. Our findings indicate that children with and without DCD demonstrate heterogeneous physical fitness profiles. The majority of the children (66%) with DCD belonged to subtypes with lower fitness performance. Further studies are needed to confirm these findings in other samples of DCD children. Copyright © 2018 Elsevier B.V. All rights reserved.

Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

DOE PAGES

Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.; ...

2015-07-30

We introduce a new family of complexes with the general formula [Ru n(tda)(py)2] m+ (n = 2, m = 0, 1; n = 3, m = 1, 2 +; n = 4, m = 2, 3 2+), with tda 2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [Ru IV(OH)(tda-κ-N 3O)(py) 2] +, 4H +, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 3 2+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), includingmore » solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Ru center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H + can be generated potentiometrically, or voltammetrically, from 3 2+, and both coexist in solution. While complex 3 2+ is not catalytically active, the catalytic performance of complex 4H + is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s –1 at pH 7.0 and 50,000 s –1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H +, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.« less

FUNCTIONAL NETWORK ARCHITECTURE OF READING-RELATED REGIONS ACROSS DEVELOPMENT

PubMed Central

Vogel, Alecia C.; Church, Jessica A.; Power, Jonathan D.; Miezin, Fran M.; Petersen, Steven E.; Schlaggar, Bradley L.

2013-01-01

Reading requires coordinated neural processing across a large number of brain regions. Studying relationships between reading-related regions informs the specificity of information processing performed in each region. Here, regions of interest were defined from a meta-analysis of reading studies, including a developmental study. Relationships between regions were defined as temporal correlations in spontaneous fMRI signal; i.e., resting state functional connectivity MRI (RSFC). Graph theory based network analysis defined the community structure of the “reading-related” regions. Regions sorted into previously defined communities, such as the fronto-parietal and cingulo-opercular control networks, and the default mode network. This structure was similar in children, and no apparent “reading” community was defined in any age group. These results argue against regions, or sets of regions, being specific or preferential for reading, instead indicating that regions used in reading are also used in a number of other tasks. PMID:23506969

Coevolutionary constraints in the sequence-space of macromolecular complexes reflect their self-assembly pathways.

PubMed

Mallik, Saurav; Kundu, Sudip

2017-07-01

Is the order in which biomolecular subunits self-assemble into functional macromolecular complexes imprinted in their sequence-space? Here, we demonstrate that the temporal order of macromolecular complex self-assembly can be efficiently captured using the landscape of residue-level coevolutionary constraints. This predictive power of coevolutionary constraints is irrespective of the structural, functional, and phylogenetic classification of the complex and of the stoichiometry and quaternary arrangement of the constituent monomers. Combining this result with a number of structural attributes estimated from the crystal structure data, we find indications that stronger coevolutionary constraints at interfaces formed early in the assembly hierarchy probably promotes coordinated fixation of mutations that leads to high-affinity binding with higher surface area, increased surface complementarity and elevated number of molecular contacts, compared to those that form late in the assembly. Proteins 2017; 85:1183-1189. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Percolation Pore Network Study on the Residue Gas Saturation of Dry Reservoir Rocks

NASA Astrophysics Data System (ADS)

Cheng, T.; Tang, Y. B.; Zou, G. Y.; Jiang, K.; Li, M.

2014-12-01

We tried to model the effect of pore size heterogeneity and pore connectivity on the residue gas saturation for dry gas reservoir rocks. If we consider that snap-off does not exist and only piston displacement takes place in all pores with the same size during imbibition process, in the extreme case, the residue gas saturation will be equal to zero. Thus we can suppose that the residue gas saturation of dry rocks is mainly controlled by the pore size distribution. To verify the assumption, percolation pore networks (i.e., three-dimensional simple cubic (SC) and body-center cubic (BCC)) were used in the study. The connectivity and the pore size distribution in percolation pore network could be changed randomly. The concept of water phase connectivity zw(i.e., water coordination number) and gas phase connectivity zg (i.e., gas coordination number) was introduced here. zw and zg will change during simulation and can be estimated numerically from the results of simulations through gradually saturated networks by water. The Simulation results show that when zg less than or equal to 1.5 during water quasi - static imbibition, the gas will be trapped in rock pores. Network simulation results also shows that the residue gas saturation Srg follows a power law relationship (i.e.,Srg∝σrα, where σr is normalized standard deviation of the pore radius distribution, and exponent α is a function of coordination number). This indicates that the residue gas saturation has no explicit relationship with porosity and permeability as it should have in light of previous study, pore radius distribution is the principal factor in determining the residue gas saturation of dry reservoir rocks.

Comparison of Bystander Cardiopulmonary Resuscitation (BCPR) Performance in the Absence and Presence of Timing Devices for Coordinating Delivery of Ventilatory Breaths and Cardiac Compressions in a Model of Adult Cardiopulmonary Arrest

NASA Technical Reports Server (NTRS)

Hurst, Victor, IV; West, Sarah; Austin, Paul; Branson, Richard; Beck, George

2006-01-01

Astronaut crew medical officers (CMO) aboard the International Space Station (ISS) receive 40 hours of medical training during the 18 months preceding each mission. Part of this training ilncludes twoperson cardiopulmonary resuscitation (CPR) per training guidelines from the American Heart Association (AHA). Recent studies concluded that the use of metronomic tones improves the coordination of CPR by trained clinicians. Similar data for bystander or "trained lay people" (e.g. CMO) performance of CPR (BCPR) have been limited. The purpose of this study was to evailuate whether use of timing devices, such as audible metronomic tones, would improve BCPR perfomance by trained bystanders. Twenty pairs of bystanders trained in two-person BCPR performled BCPR for 4 minutes on a simulated cardiopulmonary arrest patient using three interventions: 1) BCPR with no timing devices, 2) BCPR plus metronomic tones for coordinating compression rate only, 3) BCPR with a timing device and metronome for coordinating ventilation and compression rates, respectively. Bystanders were evaluated on their ability to meet international and AHA CPR guidelines. Bystanders failed to provide the recommended number of breaths and number of compressions in the absence of a timing device and in the presence of audible metronomic tones for only coordinating compression rate. Bystanders using timing devices to coordinate both components of BCPR provided the reco number of breaths and were closer to providing the recommended number of compressions compared with the other interventions. Survey results indicated that bystanders preferred to use a metronome for delivery of compressions during BCPR. BCPR performance is improved by timing devices that coordinate both compressions and breaths.

Structured Analysis/Design - LSA Task 101, Early Logistic Support Analysis Strategy, Subtask 101.2.1, Develop Early LSA Strategy

DTIC Science & Technology

1990-07-01

replacing "logic diagrams" or "flow charts") to aid in coordinating the functions to be performed by a computer program and its associated Inputs...ADDRESS (City, State, and ZIP Code) 10. SOURCE OF FUNDING NUMBERS PROGRAM PROJECT ITASK IWORK UNIT ELEMENT NO. NO. NO. ACCESSION NO. 11. TITLE...the analysis. Both the logical model and detailed procedures are used to develop the application software programs which will be provided to Government

Octupole correlations in the 144Ba nucleus described with symmetry-conserving configuration-mixing calculations

NASA Astrophysics Data System (ADS)

Bernard, Rémi N.; Robledo, Luis M.; Rodríguez, Tomás R.

2016-06-01

We study the interplay of quadrupole and octupole degrees of freedom in the structure of the isotope 144Ba. A symmetry-conserving configuration-mixing method (SCCM) based on a Gogny energy density functional (EDF) has been used. The method includes particle number, parity, and angular momentum restoration as well as axial quadrupole and octupole shape mixing within the generator coordinate method. Predictions both for excitation energies and electromagnetic transition probabilities are in good agreement with the most recent experimental data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chung, Won Sang, E-mail: mimip4444@hanmail.net; Hounkonnou, Mahouton Norbert, E-mail: norbert.hounkonnou@cipma.uac.bj; Arjika, Sama, E-mail: rjksama2008@gmail.com

In this paper, we propose a full characterization of a generalized q-deformed Tamm-Dancoff oscillator algebra and investigate its main mathematical and physical properties. Specifically, we study its various representations and find the condition satisfied by the deformed q-number to define the algebra structure function. Particular Fock spaces involving finite and infinite dimensions are examined. A deformed calculus is performed as well as a coordinate realization for this algebra. A relevant example is exhibited. Associated coherent states are constructed. Finally, some thermodynamics aspects are computed and discussed.

Interventions for coordination of walking following stroke: systematic review.

PubMed

Hollands, Kristen L; Pelton, Trudy A; Tyson, Sarah F; Hollands, Mark A; van Vliet, Paulette M

2012-03-01

Impairments in gait coordination may be a factor in falls and mobility limitations after stroke. Therefore, rehabilitation targeting gait coordination may be an effective way to improve walking post-stroke. This review sought to examine current treatments that target impairments of gait coordination, the theoretical basis on which they are derived and the effects of such interventions. Few high quality RCTs with a low risk of bias specifically targeting and measuring restoration of coordinated gait were found. Consequently, we took a pragmatic approach to describing and quantifying the available evidence and included non-randomised study designs and limited the influence of heterogeneity in experimental design and control comparators by restricting meta-analyses to pre- and post-test comparisons of experimental interventions only. Results show that physiotherapy interventions significantly improved gait function and coordination. Interventions involving repetitive task-specific practice and/or auditory cueing appeared to be the most promising approaches to restore gait coordination. The fact that overall improvements in gait coordination coincided with increased walking speed lends support to the hypothesis that targeting gait coordination gait may be a way of improving overall walking ability post-stroke. However, establishing the mechanism for improved locomotor control requires a better understanding of the nature of both neuroplasticity and coordination deficits in functional tasks after stroke. Future research requires the measurement of impairment, activity and cortical activation in an effort to establish the mechanism by which functional gains are achieved. Copyright © 2011 Elsevier B.V. All rights reserved.

Mean-field theory of spin-glasses with finite coordination number

NASA Technical Reports Server (NTRS)

Kanter, I.; Sompolinsky, H.

1987-01-01

The mean-field theory of dilute spin-glasses is studied in the limit where the average coordination number is finite. The zero-temperature phase diagram is calculated and the relationship between the spin-glass phase and the percolation transition is discussed. The present formalism is applicable also to graph optimization problems.

Linking initial microstructure and local response during quasistatic granular compaction

DOE PAGES

Hurley, R. C.; Lind, J.; Pagan, D. C.; ...

2017-07-24

In this study, we performed experiments combining three-dimensional x-ray diffraction and x-ray computed tomography to explore the relationship between microstructure and local force and strain during quasistatic granular compaction. We found that initial void space around a grain and contact coordination number before compaction can be used to predict regions vulnerable to above-average local force and strain at later stages of compaction. We also found correlations between void space around a grain and coordination number, and between grain stress and maximum interparticle force, at all stages of compaction. Finally, we observed grains that fracture to have an above-average initial localmore » void space and a below-average initial coordination number. In conclusion, our findings provide (1) a detailed description of microstructure evolution during quasistatic granular compaction, (2) an approach for identifying regions vulnerable to large values of strain and interparticle force, and (3) methods for identifying regions of a material with large interparticle forces and coordination numbers from measurements of grain stress and local porosity.« less

The circadian coordination of cell biology.

PubMed

Chaix, Amandine; Zarrinpar, Amir; Panda, Satchidananda

2016-10-10

Circadian clocks are cell-autonomous timing mechanisms that organize cell functions in a 24-h periodicity. In mammals, the main circadian oscillator consists of transcription-translation feedback loops composed of transcriptional regulators, enzymes, and scaffolds that generate and sustain daily oscillations of their own transcript and protein levels. The clock components and their targets impart rhythmic functions to many gene products through transcriptional, posttranscriptional, translational, and posttranslational mechanisms. This, in turn, temporally coordinates many signaling pathways, metabolic activity, organelles' structure and functions, as well as the cell cycle and the tissue-specific functions of differentiated cells. When the functions of these circadian oscillators are disrupted by age, environment, or genetic mutation, the temporal coordination of cellular functions is lost, reducing organismal health and fitness. © 2016 Chaix et al.

Grain boundaries at the surface of consolidated MgO nanocrystals and acid-base functionality.

PubMed

Vingurt, Dima; Fuks, David; Landau, Miron V; Vidruk, Roxana; Herskowitz, Moti

2013-09-21

The increase of the surface basicity-acidity of MgO material by factors of 1.8-3.0 due to consolidation of its nanocrystals was demonstrated by the indicator titration. It was shown that the parallel increase of surface acidity and basicity is attributed to the formation of grain boundaries (GB) after MgO aerogel densification. A simple model predicting the increase of surface acidity-basicity of MgO that correlates with the results of direct measurements was proposed. The model is based on the study of the fine atomic structure at GB surface areas in consolidated MgO nanocrystals in the framework of Density Functional Theory. It is found that the displacements of coordinatively unsaturated surface ions near the GB are significant at the distances ~3-4 atomic layers from the geometrical contact plane between nanocrystals. The detailed analysis of atomic positions inside GB demonstrated the coordination deficiency of surface atoms at the GB areas leading to the formation of stretched bonds and to creation of low coordinated surface ions due to splitting of coordination numbers of surface atoms belonging to GB areas. Density of states for electrons shows the existence of additional states in the band gap close to the bottom of the conduction band. The adsorption energy of CO2 molecules atop oxygen atoms exposed at surface GB areas is of the same order of magnitude as that reported for oxygen atoms at crystallographic edges and corners of MgO crystals. It provides additional options for bonding of molecules at the surface of nanocrystalline MgO increasing the adsorption capacity and catalytic activity.

Functional Two-Dimensional Coordination Polymeric Layer as a Charge Barrier in Li-S Batteries.

PubMed

Huang, Jing-Kai; Li, Mengliu; Wan, Yi; Dey, Sukumar; Ostwal, Mayur; Zhang, Daliang; Yang, Chih-Wen; Su, Chun-Jen; Jeng, U-Ser; Ming, Jun; Amassian, Aram; Lai, Zhiping; Han, Yu; Li, Sean; Li, Lain-Jong

2018-01-23

Ultrathin two-dimensional (2D) polymeric layers are capable of separating gases and molecules based on the reported size exclusion mechanism. What is equally important but missing today is an exploration of the 2D layers with charge functionality, which enables applications using the charge exclusion principle. This work demonstrates a simple and scalable method of synthesizing a free-standing 2D coordination polymer Zn 2 (benzimidazolate) 2 (OH) 2 at the air-water interface. The hydroxyl (-OH) groups are stoichiometrically coordinated and implement electrostatic charges in the 2D structures, providing powerful functionality as a charge barrier. Electrochemical performance of the Li-S battery shows that the Zn 2 (benzimidazolate) 2 (OH) 2 coordination polymer layers efficiently mitigate the polysulfide shuttling effects and largely enhance the battery capacity and cycle performance. The synthesis of the proposed coordination polymeric layers is simple, scalable, cost saving, and promising for practical use in batteries.

On a new coordinate system with astrophysical application: Spiral coordinates

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Gil, P. J. S.

In this presentation are introduced spiral coordinates, which are a particular case of conformal coordinates, i.e. orthogonal curvelinear coordinates with equal factors along all coordinate axis. The spiral coordinates in the plane have as coordinate curves two families of logarithmic spirals, making a constant angle, respectively phi and pi / 2-phi, with all radial lines, where phi is a parameter. They can be obtained from a complex function, representing a spiral potential flow, due to the superposition of a source/sink with a vortex; the parameter phi in this case specifies the ratio of the ass flux of source/sink to the circulation of the vortex. Regardless of hydrodynamical or other interpretations, spiral coordinates are particulary convenient in situation where physical quantities vary only along a logarithmicspiral. The example chosen is the propagation of Alfven waves along a logarithmic spiral, as an approximation to Parker's spiral. The equation of dissipative MHD are written in spiral coordinates, and eliminated to specify the Alfven wave equation in spiral coordinates; the latter is solved exactly in terms of Bessel functions, and the results analyzed for values of the parameters corresponding to the solar wind.

Effects of various experimental parameters on errors in triangulation solution of elongated object in space. [barium ion cloud

NASA Technical Reports Server (NTRS)

Long, S. A. T.

1975-01-01

The effects of various experimental parameters on the displacement errors in the triangulation solution of an elongated object in space due to pointing uncertainties in the lines of sight have been determined. These parameters were the number and location of observation stations, the object's location in latitude and longitude, and the spacing of the input data points on the azimuth-elevation image traces. The displacement errors due to uncertainties in the coordinates of a moving station have been determined as functions of the number and location of the stations. The effects of incorporating the input data from additional cameras at one of the stations were also investigated.

Decomposing functional trait associations in a Chinese subtropical forest

PubMed Central

Pei, Kequan; Kéry, Marc; Niklaus, Pascal A.; Schmid, Bernhard

2017-01-01

Functional traits, properties of organisms correlated with ecological performance, play a central role in plant community assembly and functioning. To some extents, functional traits vary in concert, reflecting fundamental ecological strategies. While “trait syndromes” characteristic of e.g. fast-growing, early-successional vs. competitive, late-successional species are recognized in principle, less is known about the environmental and genetic factors at the source of trait variation and covariation within plant communities. We studied the three leaf traits leaf half-life (LHL), leaf mass per area (LMA) and nitrogen concentration in green leaves (Ngreen) and the wood trait wood density (WD) in 294 individuals belonging to 45 tree or shrub species in a Chinese subtropical forest from September 2006 to January 2009. Using multilevel ANOVA and decomposition of sums of products, we estimated the amount of trait variation and covariation among species (mainly genetic causes), i.e. plant functional type (deciduous vs. evergreen species), growth form (tree vs. shrub species), family/genus/species differences, and within species (mainly environmental causes), i.e. individual and season. For single traits, the variation between functional types and among species within functional types was large, but only LMA and Ngreen varied significantly among families and thus showed phylogenetic signal. Trait variation among individuals within species was small, but large temporal variation due to seasonal effects was found within individuals. We did not find any trait variation related to soil conditions underneath the measured individuals. For pairs of traits, variation between functional types and among species within functional types was large, reflecting a strong evolutionary coordination of the traits, with LMA, LHL and WD being positively correlated among each other and negatively with Ngreen. This integration of traits was consistent with a putative stem-leaf economics spectrum ranging from deciduous species with thin, high-nitrogen leaves and low-density wood to evergreen species with thick, low-nitrogen leaves and dense wood and was not influenced by phylogenetic history. Trait coordination within species was weak, allowing individual trees to deviate from the interspecific trait coordination and thus respond flexibly to environmental heterogeneity. Our findings suggest that within a single woody plant community variation and covariation in functional traits allows a large number of species to co-exist and cover a broad spectrum of multivariate niche space, which in turn may increase total resource extraction by the community and community functioning. PMID:28419169

Talampanel improves the functional deficit after transient focal cerebral ischemia in rats. A 30-day follow up study.

PubMed

Erdo, Franciska; Berzsenyi, Pál; Német, László; Andrási, Ferenc

2006-01-15

The neuroprotective effect of talampanel, a negative allosteric modulator of alpha-amino-3-hydroxy-methyl-4-isoxazolyl-propionic acid (AMPA) receptors has been described previously. However, in these studies the histological changes and not the functional consequences of the brain damage were evaluated. The aim of present investigation was to analyze the sensorimotor function after stroke and to test the influence of talampanel (GYKI-53773, LY-300164) by 30-day monitoring in rats. After 1h middle cerebral artery occlusion (MCAO) general 'well-being', neurological status, spontaneous motor activity, rotation, motor coordination, balancing, muscle strength and reaction time were followed for 1 month. Talampanel (6 x 10 mg/kg i.p. given on the day of stroke) improved the motor coordination in rotarod (p < 0.01) and beam walking (p < 0.01) tests, reduced the number of stroke-induced rotations (p < 0.05), shortened the reflex time on the forelimb contralateral to brain ischemia and improved the survival rate comparing with vehicle treated control. After stroke, serious sensorimotor deficits appeared in rats but they showed partial spontaneous recovery after 30 days. Talampanel treatment enhanced the rate of functional improvement without changing the morphology at the end of the experiment. Our results indicate that modulation of AMPA receptors by talampanel can be a promising therapeutic approach to the treatment of stroke.

Continuous time anomalous diffusion in a composite medium.

PubMed

Stickler, B A; Schachinger, E

2011-08-01

The one-dimensional continuous time anomalous diffusion in composite media consisting of a finite number of layers in immediate contact is investigated. The diffusion process itself is described with the help of two probability density functions (PDFs), one of which is an arbitrary jump-length PDF, and the other is a long-tailed waiting-time PDF characterized by the waiting-time index β∈(0,1). The former is assumed to be a function of the space coordinate x and the time coordinate t while the latter is a function of x and the time interval. For such an environment a very general form of the diffusion equation is derived which describes the continuous time anomalous diffusion in a composite medium. This result is then specialized to two particular forms of the jump-length PDF, namely the continuous time Lévy flight PDF and the continuous time truncated Lévy flight PDF. In both cases the PDFs are characterized by the Lévy index α∈(0,2) which is regarded to be a function of x and t. It is possible to demonstrate that for particular choices of the indices α and β other equations for anomalous diffusion, well known from the literature, follow immediately. This demonstrates the very general applicability of the derivation and of the resulting fractional differential equation discussed here.

Irreducible correlation functions of the S matrix in the coordinate representation: application in calculating Lorentzian half-widths and shifts.

PubMed

Ma, Q; Tipping, R H; Boulet, C

2006-01-07

By introducing the coordinate representation, the derivation of the perturbation expansion of the Liouville S matrix is formulated in terms of classically behaved autocorrelation functions. Because these functions are characterized by a pair of irreducible tensors, their number is limited to a few. They represent how the overlaps of the potential components change with a time displacement, and under normal conditions, their magnitudes decrease by several orders of magnitude when the displacement reaches several picoseconds. The correlation functions contain all dynamical information of the collision processes necessary in calculating half-widths and shifts and can be easily derived with high accuracy. Their well-behaved profiles, especially the rapid decrease of the magnitude, enables one to transform easily the dynamical information contained in them from the time domain to the frequency domain. More specifically, because these correlation functions are well time limited, their continuous Fourier transforms should be band limited. Then, the latter can be accurately replaced by discrete Fourier transforms and calculated with a standard fast Fourier transform method. Besides, one can easily calculate their Cauchy principal integrations and derive all functions necessary in calculating half-widths and shifts. A great advantage resulting from introducing the coordinate representation and choosing the correlation functions as the starting point is that one is able to calculate the half-widths and shifts with high accuracy, no matter how complicated the potential models are and no matter what kind of trajectories are chosen. In any case, the convergence of the calculated results is always guaranteed. As a result, with this new method, one can remove some uncertainties incorporated in the current width and shift studies. As a test, we present calculated Raman Q linewidths for the N2-N2 pair based on several trajectories, including the more accurate "exact" ones. Finally, by using this new method as a benchmark, we have carried out convergence checks for calculated values based on usual methods and have found that some results in the literature are not converged.

Review on the Celestial Sphere Positioning of FITS Format Image Based on WCS and Research on General Visualization

NASA Astrophysics Data System (ADS)

Song, W. M.; Fan, D. W.; Su, L. Y.; Cui, C. Z.

2017-11-01

Calculating the coordinate parameters recorded in the form of key/value pairs in FITS (Flexible Image Transport System) header is the key to determine FITS images' position in the celestial system. As a result, it has great significance in researching the general process of calculating the coordinate parameters. By combining CCD related parameters of astronomical telescope (such as field, focal length, and celestial coordinates in optical axis, etc.), astronomical images recognition algorithm, and WCS (World Coordinate System) theory, the parameters can be calculated effectively. CCD parameters determine the scope of star catalogue, so that they can be used to build a reference star catalogue by the corresponding celestial region of astronomical images; Star pattern recognition completes the matching between the astronomical image and reference star catalogue, and obtains a table with a certain number of stars between CCD plane coordinates and their celestial coordinates for comparison; According to different projection of the sphere to the plane, WCS can build different transfer functions between these two coordinates, and the astronomical position of image pixels can be determined by the table's data we have worked before. FITS images are used to carry out scientific data transmission and analyze as a kind of mainstream data format, but only to be viewed, edited, and analyzed in the professional astronomy software. It decides the limitation of popular science education in astronomy. The realization of a general image visualization method is significant. FITS is converted to PNG or JPEG images firstly. The coordinate parameters in the FITS header are converted to metadata in the form of AVM (Astronomy Visualization Metadata), and then the metadata is added to the PNG or JPEG header. This method can meet amateur astronomers' general needs of viewing and analyzing astronomical images in the non-astronomical software platform. The overall design flow is realized through the java program and tested by SExtractor, WorldWide Telescope, picture viewer, and other software.

Weak Coordination as a Powerful Means for Developing Broadly Useful C–H Functionalization Reactions

PubMed Central

Engle, Keary M.; Mei, Tian-Sheng; Wasa, Masayuki

2011-01-01

Conspectus Reactions that convert carbon–hydrogen (C–H) bonds into carbon–carbon (C–C) or carbon–heteroatom (C–Y) bonds are attractive tools for organic chemists, potentially expediting the synthesis of target molecules through new disconnections in retrosynthetic analysis. Despite extensive inorganic and organometallic study of the insertion of homogeneous metal species into unactivated C–H bonds, practical applications of this technology in organic chemistry are still rare. Only in the past decade have metal-catalyzed C–H functionalization reactions become more widely utilized in organic synthesis. Research in the area of homogeneous transition metal–catalyzed C–H functionalization can be broadly grouped into two subfields. They reflect different approaches and goals and thus have different challenges and opportunities. One approach involves reactions of completely unfunctionalized aromatic and aliphatic hydrocarbons, which we refer to as “first functionalization.” Here the substrates are nonpolar and hydrophobic and thus interact very weakly with polar metal species. To overcome this weak affinity and drive metal-mediated C–H cleavage, chemists often use hydrocarbon substrates in large excess (for example, as solvent). Because highly reactive metal species are needed in first functionalization, controlling the chemoselectivity to avoid over-functionalization is often difficult. Additionally, because both substrates and products are comparatively low-value chemicals, developing cost-effective catalysts with exceptionally high turnover numbers that are competitive with alternatives (including heterogeneous catalysts) is challenging. Although an exciting field, first functionalization is beyond the scope of this Account. The second subfield of C–H functionalization involves substrates containing one or more pre-existing functional groups, termed “further functionalization.” One advantage of this approach is that the existing functional group (or groups) can be used to chelate the metal catalyst and position it for selective C–H cleavage. Precoordination can overcome the paraffin nature of C–H bonds by increasing the effective concentration of the substrate so that it needn't be used as solvent. From a synthetic perspective, it is desirable to use a functional group that is an intrinsic part of the substrate so that extra steps for installation and removal of an external directing group can be avoided. In this way, dramatic increases in molecular complexity can be accomplished in a single stroke through stereo- and site-selective introduction of a new functional group. Although reactivity is a major challenge (as with first functionalization), the philosophy in further functionalization differs—the major challenge is developing reactions that work with predictable selectivity in intricately functionalized contexts on commonly occurring structural motifs. In this Account, we focus on an emergent theme within the further functionalization literature: the use of commonly occurring functional groups to direct C–H cleavage through weak coordinations. We discuss our motivation for studying Pd-catalyzed C–H functionalization assisted by weakly coordinating functional groups and chronicle our endeavors to bring reactions of this type to fruition. Through this approach, we have developed reactions with a diverse range of substrates and coupling partners, with the broad scope likely stemming from higher reactivity of the less stable cyclopalladated intermediates held in place by weak coordinations. PMID:22166158

76 FR 51380 - National Institute of Mental Health Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-18

....S.C. App.), notice is hereby given of a conference call of the Interagency Autism Coordinating...-in number and access code. Name of Committee: Interagency Autism Coordinating Committee (IACC). Type... public. Contact Person: Ms. Lina Perez, Office of Autism Research Coordination, National Institute of...

Investigating the Effects of Higher Spatial Resolution on Benthic Classification Accuracy at Midway Atoll

DTIC Science & Technology

2008-09-01

2 X Components: 1 Y Components: 1 Product MBR Geographic Coordinates Number of Coordinates: 4 Coordinate: 1 Latitude...bottom (other than live coral) bldgs., docks, etc.) 4. linear reef- B. SHORELINE -INTERTIDAL modifiers 5. pinnacle reef- c. submerged vegetation- sand

The architecture of metal coordination groups in proteins.

PubMed

Harding, Marjorie M

2004-05-01

A set of tables is presented and a survey given of the architecture of metal coordination groups in a representative set of protein structures from the Protein Data Bank [Bernstein et al. (1977), J. Mol. Biol. 112, 535-542; Berman et al. (2000), Nucleic Acids Res. 28, 235-242]. The structures have been determined to a resolution of 2.5 A or better; the metals considered are Ca, Mg, Mn, Fe, Cu, Zn, Na and K, with particular emphasis on Ca and Zn and the exclusion of haem groups and Fe/S clusters; the proteins are a representative set in which none has more than 30% sequence identity with any other. In them the metal is coordinated by several donor groups from different amino-acid residues in the protein chain and often also by water or other small molecules. The tables, for approximately 600 metal coordination groups, include information on the conformations of the protein chain in the region around the metal and reliability indicators. They illustrate the wide variety of coordination numbers, chelate-loop sizes and other properties and the different characteristics of different metals. They show that glycine has a particular significance in the position adjacent to a donor residue, especially in Ca coordination groups. They also show that metal coordination does not appear to lead to significant distortions of the torsion angles phi, psi from their normally allowed values. Very few metal coordination groups occur more than once in the representative set and when they do they are usually related in fold and function; they have similar but not necessarily identical conformations. However, individual chelate loops, for example Zn(-C-X-X'-C-), in which both cysteines are coordinated to Zn through S, and X and X' are any amino acids, are repeated frequently in many different and unrelated proteins. Not all chelate loops with the same composition have the same conformation, but for smaller loops there are usually one or two strongly preferred and well defined conformations. Quite frequently more than one metal coordination group is associated with one protein chain; these proteins are identified.

Continuously differentiable PIC shape functions for triangular meshes

DOE PAGES

Barnes, D. C.

2018-03-21

In this study, a new class of continuously-differentiable shape functions is developed and applied to two-dimensional electrostatic PIC simulation on an unstructured simplex (triangle) mesh. It is shown that troublesome aliasing instabilities are avoided for cold plasma simulation in which the Debye length is as small as 0.01 cell sizes. These new shape functions satisfy all requirements for PIC particle shape. They are non-negative, have compact support, and partition unity. They are given explicitly by cubic expressions in the usual triangle logical (areal) coordinates. The shape functions are not finite elements because their structure depends on the topology of themore » mesh, in particular, the number of triangles neighboring each mesh vertex. Nevertheless, they may be useful as approximations to solution of other problems in which continuity of derivatives is required or desired.« less

Continuously differentiable PIC shape functions for triangular meshes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barnes, D. C.

In this study, a new class of continuously-differentiable shape functions is developed and applied to two-dimensional electrostatic PIC simulation on an unstructured simplex (triangle) mesh. It is shown that troublesome aliasing instabilities are avoided for cold plasma simulation in which the Debye length is as small as 0.01 cell sizes. These new shape functions satisfy all requirements for PIC particle shape. They are non-negative, have compact support, and partition unity. They are given explicitly by cubic expressions in the usual triangle logical (areal) coordinates. The shape functions are not finite elements because their structure depends on the topology of themore » mesh, in particular, the number of triangles neighboring each mesh vertex. Nevertheless, they may be useful as approximations to solution of other problems in which continuity of derivatives is required or desired.« less

Cohesion and coordination effects on transition metal surface energies

NASA Astrophysics Data System (ADS)

Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

2017-10-01

Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

Functional Properties of the Mitochondrial Carrier System.

PubMed

Taylor, Eric B

2017-09-01

The mitochondrial carrier system (MCS) transports small molecules between mitochondria and the cytoplasm. It is integral to the core mitochondrial function to regulate cellular chemistry by metabolism. The mammalian MCS comprises the transporters of the 53-member canonical SLC25A family and a lesser number of identified noncanonical transporters. The recent discovery and investigations of the mitochondrial pyruvate carrier (MPC) illustrate the diverse effects a single mitochondrial carrier may exert on cellular function. However, the transport selectivities of many carriers remain unknown, and most have not been functionally investigated in mammalian cells. The mechanisms coordinating their function as a unified system remain undefined. Increased accessibility to molecular genetic and metabolomic technologies now greatly enables investigation of the MCS. Continued investigation of the MCS may reveal how mitochondria encode complex regulatory information within chemical thermodynamic gradients. This understanding may enable precision modulation of cellular chemistry to counteract the dysmetabolism inherent in disease. Copyright © 2017 Elsevier Ltd. All rights reserved.

True and masked three-coordinate T-shaped platinum(II) intermediates.

PubMed

Ortuño, Manuel A; Conejero, Salvador; Lledós, Agustí

2013-01-01

Although four-coordinate square-planar geometries, with a formally 16-electron counting, are absolutely dominant in isolated Pt(II) complexes, three-coordinate, 14-electron Pt(II) complexes are believed to be key intermediates in a number of platinum-mediated organometallic transformations. Although very few authenticated three-coordinate Pt(II) complexes have been characterized, a much larger number of complexes can be described as operationally three-coordinate in a kinetic sense. In these compounds, which we have called masked T-shaped complexes, the fourth position is occupied by a very weak ligand (agostic bond, solvent molecule or counteranion), which can be easily displaced. This review summarizes the structural features of the true and masked T-shaped Pt(II) complexes reported so far and describes synthetic strategies employed for their formation. Moreover, recent experimental and theoretical reports are analyzed, which suggest the involvement of such intermediates in reaction mechanisms, particularly C-H bond-activation processes.

Movement dynamics reflect a functional role for weak coupling and role structure in dyadic problem solving.

PubMed

Abney, Drew H; Paxton, Alexandra; Dale, Rick; Kello, Christopher T

2015-11-01

Successful interaction requires complex coordination of body movements. Previous research has suggested a functional role for coordination and especially synchronization (i.e., time-locked movement across individuals) in different types of human interaction contexts. Although such coordination has been shown to be nearly ubiquitous in human interaction, less is known about its function. One proposal is that synchrony supports and facilitates communication (Topics Cogn Sci 1:305-319, 2009). However, questions still remain about what the properties of coordination for optimizing communication might look like. In the present study, dyads worked together to construct towers from uncooked spaghetti and marshmallows. Using cross-recurrence quantification analysis, we found that dyads with loosely coupled gross body movements performed better, supporting recent work suggesting that simple synchrony may not be the key to effective performance (Riley et al. 2011). We also found evidence that leader-follower dynamics-when sensitive to the specific role structure of the interaction-impact task performance. We discuss our results with respect to the functional role of coordination in human interaction.

HIF-1 and SKN-1 coordinate the transcriptional response to hydrogen sulfide in Caenorhabditis elegans.

PubMed

Miller, Dana L; Budde, Mark W; Roth, Mark B

2011-01-01

Hydrogen sulfide (H₂S) has dramatic physiological effects on animals that are associated with improved survival. C. elegans grown in H₂S are long-lived and thermotolerant. To identify mechanisms by which adaptation to H₂S effects physiological functions, we have measured transcriptional responses to H₂S exposure. Using microarray analysis we observe rapid changes in the abundance of specific mRNAs. The number and magnitude of transcriptional changes increased with the duration of H₂S exposure. Functional annotation suggests that genes associated with protein homeostasis are upregulated upon prolonged exposure to H₂S. Previous work has shown that the hypoxia-inducible transcription factor, HIF-1, is required for survival in H₂S. In fact, we show that hif-1 is required for most, if not all, early transcriptional changes in H₂S. Moreover, our data demonstrate that SKN-1, the C. elegans homologue of NRF2, also contributes to H₂S-dependent changes in transcription. We show that these results are functionally important, as skn-1 is essential to survive exposure to H₂S. Our results suggest a model in which HIF-1 and SKN-1 coordinate a broad transcriptional response to H₂S that culminates in a global reorganization of protein homeostasis networks.

A direct method for the solution of unsteady two-dimensional incompressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Ghia, K. N.; Osswald, G. A.; Ghia, U.

1983-01-01

The unsteady incompressible Navier-Stokes equations are formulated in terms of vorticity and stream function in generalized curvilinear orthogonal coordinates to facilitiate analysis of flow configurations with general geometries. The numerical method developed solves the conservative form of the transport equation using the alternating-direction implicit method, whereas the stream-function equation is solved by direct block Gaussian elimination. The method is applied to a model problem of flow over a back-step in a doubly infinite channel, using clustered conformal coordinates. One-dimensional stretching functions, dependent on the Reynolds number and the asymptotic behavior of the flow, are used to provide suitable grid distribution in the separation and reattachment regions, as well as in the inflow and outflow regions. The optimum grid distribution selected attempts to honor the multiple length scales of the separated-flow model problem. The asymptotic behavior of the finite-differenced transport equation near infinity is examined and the numerical method is carefully developed so as to lead to spatially second-order accurate wiggle-free solutions, i.e., with minimum dispersive error. Results have been obtained in the entire laminar range for the backstep channel and are in good agreement with the available experimental data for this flow problem.

Dual Coordination of Post Translational Modifications in Human Protein Networks

PubMed Central

Woodsmith, Jonathan; Kamburov, Atanas; Stelzl, Ulrich

2013-01-01

Post-translational modifications (PTMs) regulate protein activity, stability and interaction profiles and are critical for cellular functioning. Further regulation is gained through PTM interplay whereby modifications modulate the occurrence of other PTMs or act in combination. Integration of global acetylation, ubiquitination and tyrosine or serine/threonine phosphorylation datasets with protein interaction data identified hundreds of protein complexes that selectively accumulate each PTM, indicating coordinated targeting of specific molecular functions. A second layer of PTM coordination exists in these complexes, mediated by PTM integration (PTMi) spots. PTMi spots represent very dense modification patterns in disordered protein regions and showed an equally high mutation rate as functional protein domains in cancer, inferring equivocal importance for cellular functioning. Systematic PTMi spot identification highlighted more than 300 candidate proteins for combinatorial PTM regulation. This study reveals two global PTM coordination mechanisms and emphasizes dataset integration as requisite in proteomic PTM studies to better predict modification impact on cellular signaling. PMID:23505349

Nonparametric variational optimization of reaction coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk

State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such anmore » approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.« less

Valence, Covalence, Hypervalence, Oxidation State, and Coordination Number

ERIC Educational Resources Information Center

Smith, Derek W.

2005-01-01

Valence as a numerical measure of an atom's combining power, expressed by the number of bonds it forms in a molecular formulation of the compound in question, was unable to cope with coordination compounds. The covalence of an atom is the nearest model equivalent, but is subject to ambiguity since it often depends on which bonding model is being…

Two-dimensional Ising model on random lattices with constant coordination number

NASA Astrophysics Data System (ADS)

Schrauth, Manuel; Richter, Julian A. J.; Portela, Jefferson S. E.

2018-02-01

We study the two-dimensional Ising model on networks with quenched topological (connectivity) disorder. In particular, we construct random lattices of constant coordination number and perform large-scale Monte Carlo simulations in order to obtain critical exponents using finite-size scaling relations. We find disorder-dependent effective critical exponents, similar to diluted models, showing thus no clear universal behavior. Considering the very recent results for the two-dimensional Ising model on proximity graphs and the coordination number correlation analysis suggested by Barghathi and Vojta [Phys. Rev. Lett. 113, 120602 (2014), 10.1103/PhysRevLett.113.120602], our results indicate that the planarity and connectedness of the lattice play an important role on deciding whether the phase transition is stable against quenched topological disorder.

BRIEF COMMUNICATION: A note on the Coulomb collision operator in curvilinear coordinates

NASA Astrophysics Data System (ADS)

Goncharov, P. R.

2010-10-01

The dynamic friction force, diffusion tensor, flux density in velocity space and Coulomb collision term are expressed in curvilinear coordinates via Trubnikov potential functions corresponding to each species of a background plasma. For comparison, explicit formulae are given for the dynamic friction force, diffusion tensor and collisional flux density in velocity space in curvilinear coordinates via Rosenbluth potential functions summed over all species of the background plasma.

Convergent and divergent two-dimensional coordination networks formed through substrate-activated or quenched alkynyl ligation.

PubMed

Čechal, Jan; Kley, Christopher S; Kumagai, Takashi; Schramm, Frank; Ruben, Mario; Stepanow, Sebastian; Kern, Klaus

2014-09-07

Metal coordination assemblies of the symmetric bi-functional 4,4'-di-(1,4-buta-1,3-diynyl)-benzoic acid are investigated by scanning tunnelling microscopy on metal surfaces. The formation of long-range ordered, short-range disordered and random phases depends on the competition between the convergent and divergent coordination motifs of the individual functional groups and is crucially influenced by the substrate.

Statewide Coordination of Community Junior Colleges.

ERIC Educational Resources Information Center

Stuckman, Jeffrey A.

The need for statewide coordinating agencies has become more evident as the number of junior colleges within each state continues to grow. These centralized agencies can assist in reducing unnecessary competition and duplication among junior colleges, and can improve the coordination of statewide educational needs with those of the individual…

Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

PubMed

Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

2008-04-24

We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results insignificantly for iron(II) porphyrin coordinated with imidazole. Poor performance of a "locally dense" basis set with a large number of basis functions on the Fe center was observed in calculation of quintet-triplet gaps. Our results lead to a series of suggestions for density functional theory calculations of quintet-triplet energy gaps in ferrohemes with a single axial imidazole; these suggestions are potentially applicable for other transition-metal complexes.

A modular, energy-based approach to the development of nickel containing molecular electrocatalysts for hydrogen production and oxidation.

PubMed

Shaw, Wendy J; Helm, Monte L; DuBois, Daniel L

2013-01-01

This review discusses the development of molecular electrocatalysts for H2 production and oxidation based on nickel. A modular approach is used in which the structure of the catalyst is divided into first, second, and outer coordination spheres. The first coordination sphere consists of the ligands bound directly to the metal center, and this coordination sphere can be used to control such factors as the presence or absence of vacant coordination sites, redox potentials, hydride donor abilities and other important thermodynamic parameters. The second coordination sphere includes functional groups such as pendent acids or bases that can interact with bound substrates such as H2 molecules and hydride ligands, but that do not form strong bonds with the metal center. These functional groups can play diverse roles such as assisting the heterolytic cleavage of H2, controlling intra- and intermolecular proton transfer reactions, and providing a physical pathway for coupling proton and electron transfer reactions. By controlling both the hydride donor ability of the catalysts using the first coordination sphere and the proton donor abilities of the functional groups in the second coordination sphere, catalysts can be designed that are biased toward H2 production, oxidation, or bidirectional (catalyzing both H2 oxidation and production). The outer coordination sphere is defined as that portion of the catalytic system that is beyond the second coordination sphere. This coordination sphere can assist in the delivery of protons and electrons to and from the catalytically active site, thereby adding another important avenue for controlling catalytic activity. Many features of these simple catalytic systems are good models for enzymes, and these simple systems provide insights into enzyme function and reactivity that may be difficult to probe in enzymes. This article is part of a Special Issue entitled: Metals in Bioenergetics and Biomimetics Systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Short-range structure of barium tellurite glasses and its correlation with stress-optic response

NASA Astrophysics Data System (ADS)

Kaur, Amarjot; Khanna, Atul; Fábián, Margit

2018-06-01

The atomic parameters of metal ion-oxygen speciation such as bond-lengths and nearest neighbor distances for Ba-O, Te-O and O-O pairs, co-ordination numbers and bond angle distributions for O-Ba-O, O-Te-O and O-O-O linkages are determined by neutron diffraction and Reverse Monte Carlo simulations on the series of xBaO-(100-x)TeO2 glasses containing 10, 15 and 20 mol% BaO. The glass network depolymerizes and the average Te-O co-ordination number decreases from 3.60 ± 0.02 to 3.48 ± 0.02 with increase in BaO concentration. Te-O bond lengths are in the range: 1.97 ± 0.01–1.92 ± 0.01 Å. Ba2+ is mostly in octahedral coordination and the Ba-O bond lengths are in the range: 2.73 ± 0.01 to 2.76 ± 0.03 Å. Te-O co-ordination number is also determined by Raman spectroscopy and it shows good agreement with the neutron data. The short-range structural properties i.e. metal ion coordination number (Nc) and bond lengths (d) were correlated with the stress-optic response. The bonding characteristic, Br values were determined from the structural data of xBaO-(100-x)TeO2 glasses and were used to predict the stress-induced birefringence properties.

Southern Africa Development Coordinating Conference and Its Security Implications

DTIC Science & Technology

1989-04-03

CLASSIFICATION OF THIS PAGE (When Data lintered) REPORT DOCUMENTATION PAGE ;READ INSTRUCTIONS R TP BEFORE COMPLETING FORM I. REPORT NUMBER 12. GOVT...ACCESSION NO., RECIPIENT’S CATALOG NUMBER . TITLE (an1d Su~btile) TYPE OF REPORT , PERIOD COVERED Southern Africa Development Coordinating Conference and...OFFICE NAME AND ADn1PE-c 12. RCPOr,7 DATE 3 April 1989 f3. NUMBER OF PAGE.3 55 14. MONITORING AGENCY NAME & AODRESS(If different from Controlling Office

Wisconsin Card Sorting Test Performance in Children with Developmental Coordination Disorder

ERIC Educational Resources Information Center

Wuang, Yee-Pay; Su, Chwen-Yng; Su, Jui-Hsing

2011-01-01

The primary purpose of this study was to investigate and compare the executive functions measured by the Wisconsin Card Sorting Test (WCST) between children with developmental coordination disorder (DCD) and age-matched normal controls. A second purpose was to examine the relations between executive functions and school functions in DCD children.…

Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients

PubMed Central

Park, Gi-Tae; Kim, Mihyun

2016-01-01

[Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients. PMID:27630440

Dimensional oscillation. A fast variation of energy embedding gives good results with the AMBER potential energy function.

PubMed

Snow, M E; Crippen, G M

1991-08-01

The structure of the AMBER potential energy surface of the cyclic tetrapeptide cyclotetrasarcosyl is analyzed as a function of the dimensionality of coordinate space. It is found that the number of local energy minima decreases as the dimensionality of the space increases until some limit at which point equipotential subspaces appear. The applicability of energy embedding methods to finding global energy minima in this type of energy-conformation space is explored. Dimensional oscillation, a computationally fast variant of energy embedding is introduced and found to sample conformation space widely and to do a good job of finding global and near-global energy minima.

Utilizing semantic networks to database and retrieve generalized stochastic colored Petri nets

NASA Technical Reports Server (NTRS)

Farah, Jeffrey J.; Kelley, Robert B.

1992-01-01

Previous work has introduced the Planning Coordinator (PCOORD), a coordinator functioning within the hierarchy of the Intelligent Machine Mode. Within the structure of the Planning Coordinator resides the Primitive Structure Database (PSDB) functioning to provide the primitive structures utilized by the Planning Coordinator in the establishing of error recovery or on-line path plans. This report further explores the Primitive Structure Database and establishes the potential of utilizing semantic networks as a means of efficiently storing and retrieving the Generalized Stochastic Colored Petri Nets from which the error recovery plans are derived.

Transcriptomic basis of functional difference and coordination between seeds and the silique wall of Brassica napus during the seed-filling stage.

PubMed

Liu, Han; Yang, Qingyong; Fan, Chuchuan; Zhao, Xiaoqin; Wang, Xuemin; Zhou, Yongming

2015-04-01

The silique of oilseed rape (Brassica napus) is a composite organ including seeds and the silique wall (SW) that possesses distinctly physiological, biochemical and functional differentiations. Yet, the molecular events controlling such differences between the SW and seeds, as well as their coordination during silique development at transcriptional level are largely unknown. Here, we identified large sets of differentially expressed genes in the SW and seeds of siliques at 21-22 days after flowering with a Brassica 95K EST microarray. At this particular stage, there were 3278 SW preferentially expressed genes and 2425 seed preferentially expressed genes. Using the MapMan visualization software, genes differentially regulated in various metabolic pathways and sub-pathways between the SW and seeds were revealed. Photosynthesis and transport-related genes were more actively transcripted in the SW, while those involved in lipid metabolism were more active in seeds during the seed filling stage. On the other hand, genes involved in secondary metabolisms were selectively regulated in the SW and seeds. Large numbers of transcription factors were identified to be differentially expressed between the SW and seeds, suggesting a complex pattern of transcriptional control in these two organs. Furthermore, most genes discussed in categories or pathways showed a similar expression pattern through 21 DAF to 42 DAF. Our results thus provide insights into the coordination of seeds and the SW in the developing silique at the transcriptional levels, which will facilitate the functional studies of important genes for improving B. napus seed productivity and quality. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

The Intersection between Ocular and Manual Motor Control: Eye–Hand Coordination in Acquired Brain Injury

PubMed Central

Rizzo, John-Ross; Hosseini, Maryam; Wong, Eric A.; Mackey, Wayne E.; Fung, James K.; Ahdoot, Edmond; Rucker, Janet C.; Raghavan, Preeti; Landy, Michael S.; Hudson, Todd E.

2017-01-01

Acute and chronic disease processes that lead to cerebral injury can often be clinically challenging diagnostically, prognostically, and therapeutically. Neurodegenerative processes are one such elusive diagnostic group, given their often diffuse and indolent nature, creating difficulties in pinpointing specific structural abnormalities that relate to functional limitations. A number of studies in recent years have focused on eye–hand coordination (EHC) in the setting of acquired brain injury (ABI), highlighting the important set of interconnected functions of the eye and hand and their relevance in neurological conditions. These experiments, which have concentrated on focal lesion-based models, have significantly improved our understanding of neurophysiology and underscored the sensitivity of biomarkers in acute and chronic neurological disease processes, especially when such biomarkers are combined synergistically. To better understand EHC and its connection with ABI, there is a need to clarify its definition and to delineate its neuroanatomical and computational underpinnings. Successful EHC relies on the complex feedback- and prediction-mediated relationship between the visual, ocular motor, and manual motor systems and takes advantage of finely orchestrated synergies between these systems in both the spatial and temporal domains. Interactions of this type are representative of functional sensorimotor control, and their disruption constitutes one of the most frequent deficits secondary to brain injury. The present review describes the visually mediated planning and control of eye movements, hand movements, and their coordination, with a particular focus on deficits that occur following neurovascular, neurotraumatic, and neurodegenerative conditions. Following this review, we also discuss potential future research directions, highlighting objective EHC as a sensitive biomarker complement within acute and chronic neurological disease processes. PMID:28620341

Gauge Theories of Vector Particles

DOE R&D Accomplishments Database

Glashow, S. L.; Gell-Mann, M.

1961-04-24

The possibility of generalizing the Yang-Mills trick is examined. Thus we seek theories of vector bosons invariant under continuous groups of coordinate-dependent linear transformations. All such theories may be expressed as superpositions of certain "simple" theories; we show that each "simple theory is associated with a simple Lie algebra. We may introduce mass terms for the vector bosons at the price of destroying the gauge-invariance for coordinate-dependent gauge functions. The theories corresponding to three particular simple Lie algebras - those which admit precisely two commuting quantum numbers - are examined in some detail as examples. One of them might play a role in the physics of the strong interactions if there is an underlying super-symmetry, transcending charge independence, that is badly broken. The intermediate vector boson theory of weak interactions is discussed also. The so-called "schizon" model cannot be made to conform to the requirements of partial gauge-invariance.

The IAU's East Asian Regional Office of Astronomy for Development

NASA Astrophysics Data System (ADS)

de Grijs, Richard

2014-09-01

At the 2012 General Assembly of the International Astronomical Union (IAU), the Office of Astronomy for Development (OAD) programme announced a number of exciting new partnerships to assist with the IAU's decadal strategic plan (2010-2020). These landmark decisions included establishing a new coordinating centre that aims at using astronomy as a tool for development in East Asia. The agreement covers two important functions. One is known as a Regional Node, which entails the coordination of astronomy-for-development activities in countries within the general geographical region of East Asia (in first instance China, Mongolia and the DPRK, but without placing firm geographical limits on the region). The other is known as a Language Expertise Centre which will deal with all aspects relating to (mainly) the Chinese language and culture. The impact of the latter may obviously spread well beyond the geographical region to other parts of the world.

The East Asian Regional Office of Astronomy for Development

NASA Astrophysics Data System (ADS)

de Grijs, Richard; Zhang, Ziping; He, Jinhua

2016-10-01

At the 2012 General Assembly of the International Astronomical Union (IAU), the Office of Astronomy for Development announced a number of exciting new partnerships to assist with the IAU's decadal strategic plan (2010-2020). These landmark decisions included establishing a new coordinating centre that aims at using astronomy as a tool for development in East Asia. The agreement covers two important functions. One is known as a Regional Node, which entails the coordination of astronomy-for-development activities in countries within the general geographical region of East Asia. The other is known as a Language Expertise Centre which deals with all aspects relating to (mainly) the Chinese language and culture. The impact of the latter may obviously spread well beyond the geographical region to other parts of the world. Here we provide an update of the achievements and aims of the East Asian Office of Astronomy for Development.

Managing Fault Management Development

NASA Technical Reports Server (NTRS)

McDougal, John M.

2010-01-01

As the complexity of space missions grows, development of Fault Management (FM) capabilities is an increasingly common driver for significant cost overruns late in the development cycle. FM issues and the resulting cost overruns are rarely caused by a lack of technology, but rather by a lack of planning and emphasis by project management. A recent NASA FM Workshop brought together FM practitioners from a broad spectrum of institutions, mission types, and functional roles to identify the drivers underlying FM overruns and recommend solutions. They identified a number of areas in which increased program and project management focus can be used to control FM development cost growth. These include up-front planning for FM as a distinct engineering discipline; managing different, conflicting, and changing institutional goals and risk postures; ensuring the necessary resources for a disciplined, coordinated approach to end-to-end fault management engineering; and monitoring FM coordination across all mission systems.

Zn(II) and Hg(II) binding to a designed peptide that accommodates different coordination geometries.

PubMed

Szunyogh, Dániel; Gyurcsik, Béla; Larsen, Flemming H; Stachura, Monika; Thulstrup, Peter W; Hemmingsen, Lars; Jancsó, Attila

2015-07-28

Designed metal ion binding peptides offer a variety of applications in both basic science as model systems of more complex metalloproteins, and in biotechnology, e.g. in bioremediation of toxic metal ions, biomining or as artificial enzymes. In this work a peptide (HS: Ac-SCHGDQGSDCSI-NH2) has been specifically designed for binding of both Zn(II) and Hg(II), i.e. metal ions with different preferences in terms of coordination number, coordination geometry, and to some extent ligand composition. It is demonstrated that HS accommodates both metal ions, and the first coordination sphere, metal ion exchange between peptides, and speciation are characterized as a function of pH using UV-absorption-, synchrotron radiation CD-, (1)H-NMR-, and PAC-spectroscopy as well as potentiometry. Hg(II) binds to the peptide with very high affinity in a {HgS2} coordination geometry, bringing together the two cysteinates close to each end of the peptide in a loop structure. Despite the high affinity, Hg(II) is kinetically labile, exchanging between peptides on the subsecond timescale, as indicated by line broadening in (1)H-NMR. The Zn(II)-HS system displays more complex speciation, involving monomeric species with coordinating cysteinates, histidine, and a solvent water molecule, as well as HS-Zn(II)-HS complexes. In summary, the HS peptide displays conformational flexibility, contains many typical metal ion binding groups, and is able to accommodate metal ions with different structural and ligand preferences with high affinity. As such, the HS peptide may be a scaffold offering binding of a variety of metal ions, and potentially serve for metal ion sequestration in biotechnological applications.

Compressible flows with periodic vortical disturbances around lifting airfoils. Ph.D. Thesis - Notre Dame Univ.

NASA Technical Reports Server (NTRS)

Scott, James R.

1991-01-01

A numerical method is developed for solving periodic, three-dimensional, vortical flows around lifting airfoils in subsonic flow. The first-order method that is presented fully accounts for the distortion effects of the nonuniform mean flow on the convected upstream vortical disturbances. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Using an elliptic coordinate transformation, the unsteady boundary value problem is solved in the frequency domain on grids which are determined as a function of the Mach number and reduced frequency. The numerical scheme is validated through extensive comparisons with known solutions to unsteady vortical flow problems. In general, it is seen that the agreement between the numerical and analytical results is very good for reduced frequencies ranging from 0 to 4, and for Mach numbers ranging from .1 to .8. Numerical results are also presented for a wide variety of flow configurations for the purpose of determining the effects of airfoil thickness, angle of attack, camber, and Mach number on the unsteady lift and moment of airfoils subjected to periodic vortical gusts. It is seen that each of these parameters can have a significant effect on the unsteady airfoil response to the incident disturbances, and that the effect depends strongly upon the reduced frequency and the dimensionality of the gust. For a one-dimensional (transverse) or two-dimensional (transverse and longitudinal) gust, the results indicate that airfoil thickness increases the unsteady lift and moment at the low reduced frequencies but decreases it at the high reduced frequencies. The results show that an increase in airfoil Mach number leads to a significant increase in the unsteady lift and moment for the low reduced frequencies, but a significant decrease for the high reduced frequencies.

Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.

PubMed

Celeste, Ricardo; Maringolo, Milena P; Comar, Moacyr; Viana, Rommel B; Guimarães, Amanda R; Haiduke, Roberto L A; da Silva, Albérico B F

2015-10-01

Accurate Gaussian basis sets for atoms from H to Ba were obtained by means of the generator coordinate Hartree-Fock (GCHF) method based on a polynomial expansion to discretize the Griffin-Wheeler-Hartree-Fock equations (GWHF). The discretization of the GWHF equations in this procedure is based on a mesh of points not equally distributed in contrast with the original GCHF method. The results of atomic Hartree-Fock energies demonstrate the capability of these polynomial expansions in designing compact and accurate basis sets to be used in molecular calculations and the maximum error found when compared to numerical values is only 0.788 mHartree for indium. Some test calculations with the B3LYP exchange-correlation functional for N2, F2, CO, NO, HF, and HCN show that total energies within 1.0 to 2.4 mHartree compared to the cc-pV5Z basis sets are attained with our contracted bases with a much smaller number of polarization functions (2p1d and 2d1f for hydrogen and heavier atoms, respectively). Other molecular calculations performed here are also in very good accordance with experimental and cc-pV5Z results. The most important point to be mentioned here is that our generator coordinate basis sets required only a tiny fraction of the computational time when compared to B3LYP/cc-pV5Z calculations.

The LIM protein LIMD1 influences osteoblast differentiation and function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luderer, Hilary F.; Bai Shuting; Longmore, Gregory D.

2008-09-10

The balance between bone resorption and bone formation involves the coordinated activities of osteoblasts and osteoclasts. Communication between these two cell types is essential for maintenance of normal bone homeostasis; however, the mechanisms regulating this cross talk are not completely understood. Many factors that mediate differentiation and function of both osteoblasts and osteoclasts have been identified. The LIM protein Limd1 has been implicated in the regulation of stress osteoclastogenesis through an interaction with the p62/sequestosome protein. Here we show that Limd1 also influences osteoblast progenitor numbers, differentiation, and function. Limd1{sup -/-} calvarial osteoblasts display increased mineralization and accelerated differentiation. Whilemore » no significant differences in osteoblast number or function were detected in vivo, bone marrow stromal cells isolated from Limd1{sup -/-} mice contain significantly more osteoblast progenitors compared to wild type controls when cultured ex vivo. Furthermore, we observed a significant increase in nuclear {beta}-catenin staining in differentiating Limd1{sup -/-} calvarial osteoblasts suggesting that Limd1 is a negative regulator of canonical Wnt signaling in osteoblasts. These results demonstrate that Limd1 influences not only stress osteoclastogenesis but also osteoblast function and osteoblast progenitor commitment. Together, these data identify Limd1 as a novel regulator of both bone osetoclast and bone osteoblast development and function.« less

X-ray microtomography study of the compaction process of rods under tapping.

PubMed

Fu, Yang; Xi, Yan; Cao, Yixin; Wang, Yujie

2012-05-01

We present an x-ray microtomography study of the compaction process of cylindrical rods under tapping. The process is monitored by measuring the evolution of the orientational order parameter, local, and overall packing densities as a function of the tapping number for different tapping intensities. The slow relaxation dynamics of the orientational order parameter can be well fitted with a stretched-exponential law with stretching exponents ranging from 0.9 to 1.6. The corresponding relaxation time versus tapping intensity follows an Arrhenius behavior which is reminiscent of the slow dynamics in thermal glassy systems. We also investigated the boundary effect on the ordering process and found that boundary rods order faster than interior ones. In searching for the underlying mechanism of the slow dynamics, we estimated the initial random velocities of the rods under tapping and found that the ordering process is compatible with a diffusion mechanism. The average coordination number as a function of the tapping number at different tapping intensities has also been measured, which spans a range from 6 to 8.

Activity-Based Therapies To Promote Forelimb Use after a Cervical Spinal Cord Injury

PubMed Central

Dai, Haining; MacArthur, Linda; McAtee, Marietta; Hockenbury, Nicole; Tidwell, J. Lille; McHugh, Brian; Mansfield, Kevin; Finn, Tom; Hamers, Frank P.T.

2009-01-01

Abstract Significant interest exists in strategies for improving forelimb function following spinal cord injury. We investigated the effect of enriched housing combined with skilled training on the recovery of skilled and automatic forelimb function after a cervical spinal cord injury in adult rats. All animals were pretrained in skilled reaching, gridwalk crossing, and overground locomotion. Some received a cervical over-hemisection lesion at C4-5, interrupting the right side of the spinal cord and dorsal columns bilaterally, and were housed in standard housing alone or enriched environments with daily training. A subset of animals received rolipram to promote neuronal plasticity. Animals were tested weekly for 4 weeks to measure reaching, errors on the gridwalk, locomotion, and vertical exploration. Biotinylated dextran amine was injected into the cortex to label the corticospinal tract. Enriched environments/daily training significantly increased the number and success of left reaches compared to standard housing. Animals also made fewer errors on the gridwalk, a measure of coordinated forelimb function. However, there were no significant improvements in forelimb use during vertical exploration or locomotion. Likewise, rolipram did not improve any of the behaviors tested. Both enriched housing and rolipram increased plasticity of the corticospinal tract rostral to the lesion. These studies indicate that skilled training after a cervical spinal cord injury improves recovery of skilled forelimb use (reaching) and coordinated limb function (gridwalk) but does not improve automatic forelimb function (locomotion and vertical exploration). These studies suggest that rehabilitating forelimb function after spinal cord injury will require separate strategies for descending and segmental pathways. PMID:19317604

Functional Data Approximation on Bounded Domains using Polygonal Finite Elements.

PubMed

Cao, Juan; Xiao, Yanyang; Chen, Zhonggui; Wang, Wenping; Bajaj, Chandrajit

2018-07-01

We construct and analyze piecewise approximations of functional data on arbitrary 2D bounded domains using generalized barycentric finite elements, and particularly quadratic serendipity elements for planar polygons. We compare approximation qualities (precision/convergence) of these partition-of-unity finite elements through numerical experiments, using Wachspress coordinates, natural neighbor coordinates, Poisson coordinates, mean value coordinates, and quadratic serendipity bases over polygonal meshes on the domain. For a convex n -sided polygon, the quadratic serendipity elements have 2 n basis functions, associated in a Lagrange-like fashion to each vertex and each edge midpoint, rather than the usual n ( n + 1)/2 basis functions to achieve quadratic convergence. Two greedy algorithms are proposed to generate Voronoi meshes for adaptive functional/scattered data approximations. Experimental results show space/accuracy advantages for these quadratic serendipity finite elements on polygonal domains versus traditional finite elements over simplicial meshes. Polygonal meshes and parameter coefficients of the quadratic serendipity finite elements obtained by our greedy algorithms can be further refined using an L 2 -optimization to improve the piecewise functional approximation. We conduct several experiments to demonstrate the efficacy of our algorithm for modeling features/discontinuities in functional data/image approximation.

Mathematical model and coordination algorithms for ensuring complex security of an organization

NASA Astrophysics Data System (ADS)

Novoseltsev, V. I.; Orlova, D. E.; Dubrovin, A. S.; Irkhin, V. P.

2018-03-01

The mathematical model of coordination when ensuring complex security of the organization is considered. On the basis of use of a method of casual search three types of algorithms of effective coordination adequate to mismatch level concerning security are developed: a coordination algorithm at domination of instructions of the coordinator; a coordination algorithm at domination of decisions of performers; a coordination algorithm at parity of interests of the coordinator and performers. Assessment of convergence of the algorithms considered above it was made by carrying out a computing experiment. The described algorithms of coordination have property of convergence in the sense stated above. And, the following regularity is revealed: than more simply in the structural relation the algorithm, for the smaller number of iterations is provided to those its convergence.

Relationships between Motor and Executive Functions and the Effect of an Acute Coordinative Intervention on Executive Functions in Kindergartners

PubMed Central

Stein, Marion; Auerswald, Max; Ebersbach, Mirjam

2017-01-01

There is growing evidence indicating positive, causal effects of acute physical activity on cognitive performance of school children, adolescents, and adults. However, only a few studies examined these effects in kindergartners, even though correlational studies suggest moderate relationships between motor and cognitive functions in this age group. One aim of the present study was to examine the correlational relationships between motor and executive functions among 5- to 6-year-olds. Another aim was to test whether an acute coordinative intervention, which was adapted to the individual motor functions of the children, causally affected different executive functions (i.e., motor inhibition, cognitive inhibition, and shifting). Kindergartners (N = 102) were randomly assigned either to a coordinative intervention (20 min) or to a control condition (20 min). The coordination group performed five bimanual exercises (e.g., throwing/kicking balls onto targets with the right and left hand/foot), whereas the control group took part in five simple activities that hardly involved coordination skills (e.g., stamping). Children’s motor functions were assessed with the Movement Assessment Battery for Children 2 (Petermann, 2009) in a pre-test (T1), 1 week before the intervention took place. Motor inhibition was assessed with the Simon says task (Carlson and Wang, 2007), inhibition and shifting were assessed with the Hearts and Flowers task (Davidson et al., 2006) in the pre-test and again in a post-test (T2) immediately after the interventions. Results revealed significant correlations between motor functions and executive functions (especially shifting) at T1. There was no overall effect of the intervention. However, explorative analyses indicated a three-way interaction, with the intervention leading to accuracy gains only in the motor inhibition task and only if it was tested directly after the intervention. As an unexpected effect, this result needs to be treated with caution but may indicate that the effect of acute coordinative exercise is temporally limited and emerges only for motor inhibition, but not for cognitive inhibition or shifting. More generally, in contrast to other studies including older participants and endurance exercises, no general effect of an acute coordinative intervention on executive functions was revealed for kindergartners. PMID:28611709

Photogrammetry Toolbox Reference Manual

NASA Technical Reports Server (NTRS)

Liu, Tianshu; Burner, Alpheus W.

2014-01-01

Specialized photogrammetric and image processing MATLAB functions useful for wind tunnel and other ground-based testing of aerospace structures are described. These functions include single view and multi-view photogrammetric solutions, basic image processing to determine image coordinates, 2D and 3D coordinate transformations and least squares solutions, spatial and radiometric camera calibration, epipolar relations, and various supporting utility functions.

The Effect of Titanium Tetrahedral Coordination of Silica-Titania Catalyst on the Physical Properties of Biodiesel

NASA Astrophysics Data System (ADS)

Nizar, U. K.; Hidayatul, J.; Sundari, R.; Bahrizal, B.; Amran, A.; Putra, A.; Latisma DJ, L.; Dewata, I.

2018-04-01

This study investigates the correlation of the number of titanium tetrahedral coordination and biodiesel production. The solid-state method has been used to synthesis of silica-titania catalyst for biodiesel production, which the precursors, i.e. silica and titania commercials were heated in the temperature range of 450 - 550°C. The characterization of the prepared silica-titania has been studied by FTIR and DR UV-Vis in order to identify and calculate the presence of titanium tetrahedral coordination in silica-titania catalyst. A very small peak at around 950 cm-1 indicated the presence of titanium tetrahedral coordination through Si–O–Ti bonds. Deconvolution of DR UV-Vis spectra showed the coordination of titanium in silica-titania is more octahedral. However, the number of titanium tetrahedral coordination of the prepared silica-titania is found higher than that of TiO2 commercial. The increasing of titanium tetrahedral fraction in silica-titania affects the physical properties of biodiesel in terms of boiling point, viscosity and density, which is produced by the reaction of methanol and palm oil.

Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Dejun, E-mail: dejun.lin@gmail.com

2015-09-21

Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between themore » kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A software library based on this algorithm has been implemented in C++11 and has been released.« less

HGDP and HapMap Analysis by Ancestry Mapper Reveals Local and Global Population Relationships

PubMed Central

Magalhães, Tiago R.; Casey, Jillian P.; Conroy, Judith; Regan, Regina; Fitzpatrick, Darren J.; Shah, Naisha; Sobral, João; Ennis, Sean

2012-01-01

Knowledge of human origins, migrations, and expansions is greatly enhanced by the availability of large datasets of genetic information from different populations and by the development of bioinformatic tools used to analyze the data. We present Ancestry Mapper, which we believe improves on existing methods, for the assignment of genetic ancestry to an individual and to study the relationships between local and global populations. The principle function of the method, named Ancestry Mapper, is to give each individual analyzed a genetic identifier, made up of just 51 genetic coordinates, that corresponds to its relationship to the HGDP reference population. As a consequence, the Ancestry Mapper Id (AMid) has intrinsic biological meaning and provides a tool to measure similarity between world populations. We applied Ancestry Mapper to a dataset comprised of the HGDP and HapMap data. The results show distinctions at the continental level, while simultaneously giving details at the population level. We clustered AMids of HGDP/HapMap and observe a recapitulation of human migrations: for a small number of clusters, individuals are grouped according to continental origins; for a larger number of clusters, regional and population distinctions are evident. Calculating distances between AMids allows us to infer ancestry. The number of coordinates is expandable, increasing the power of Ancestry Mapper. An R package called Ancestry Mapper is available to apply this method to any high density genomic data set. PMID:23189146

HGDP and HapMap analysis by Ancestry Mapper reveals local and global population relationships.

PubMed

Magalhães, Tiago R; Casey, Jillian P; Conroy, Judith; Regan, Regina; Fitzpatrick, Darren J; Shah, Naisha; Sobral, João; Ennis, Sean

2012-01-01

Knowledge of human origins, migrations, and expansions is greatly enhanced by the availability of large datasets of genetic information from different populations and by the development of bioinformatic tools used to analyze the data. We present Ancestry Mapper, which we believe improves on existing methods, for the assignment of genetic ancestry to an individual and to study the relationships between local and global populations. The principle function of the method, named Ancestry Mapper, is to give each individual analyzed a genetic identifier, made up of just 51 genetic coordinates, that corresponds to its relationship to the HGDP reference population. As a consequence, the Ancestry Mapper Id (AMid) has intrinsic biological meaning and provides a tool to measure similarity between world populations. We applied Ancestry Mapper to a dataset comprised of the HGDP and HapMap data. The results show distinctions at the continental level, while simultaneously giving details at the population level. We clustered AMids of HGDP/HapMap and observe a recapitulation of human migrations: for a small number of clusters, individuals are grouped according to continental origins; for a larger number of clusters, regional and population distinctions are evident. Calculating distances between AMids allows us to infer ancestry. The number of coordinates is expandable, increasing the power of Ancestry Mapper. An R package called Ancestry Mapper is available to apply this method to any high density genomic data set.

Robust Coordination for Large Sets of Simple Rovers

NASA Technical Reports Server (NTRS)

Tumer, Kagan; Agogino, Adrian

2006-01-01

The ability to coordinate sets of rovers in an unknown environment is critical to the long-term success of many of NASA;s exploration missions. Such coordination policies must have the ability to adapt in unmodeled or partially modeled domains and must be robust against environmental noise and rover failures. In addition such coordination policies must accommodate a large number of rovers, without excessive and burdensome hand-tuning. In this paper we present a distributed coordination method that addresses these issues in the domain of controlling a set of simple rovers. The application of these methods allows reliable and efficient robotic exploration in dangerous, dynamic, and previously unexplored domains. Most control policies for space missions are directly programmed by engineers or created through the use of planning tools, and are appropriate for single rover missions or missions requiring the coordination of a small number of rovers. Such methods typically require significant amounts of domain knowledge, and are difficult to scale to large numbers of rovers. The method described in this article aims to address cases where a large number of rovers need to coordinate to solve a complex time dependent problem in a noisy environment. In this approach, each rover decomposes a global utility, representing the overall goal of the system, into rover-specific utilities that properly assign credit to the rover s actions. Each rover then has the responsibility to create a control policy that maximizes its own rover-specific utility. We show a method of creating rover-utilities that are "aligned" with the global utility, such that when the rovers maximize their own utility, they also maximize the global utility. In addition we show that our method creates rover-utilities that allow the rovers to create their control policies quickly and reliably. Our distributed learning method allows large sets rovers be used unmodeled domains, while providing robustness against rover failures and changing environments. In experimental simulations we show that our method scales well with large numbers of rovers in addition to being robust against noisy sensor inputs and noisy servo control. The results show that our method is able to scale to large numbers of rovers and achieves up to 400% performance improvement over standard machine learning methods.

[Integral health provision by two Catalonian health providing entities (Spain)].

PubMed

Henao-Martínez, Diana; Vázquez-Navarrete, María L; Vargas-Lorenzo, Ingrid; Coderch-Lassaletta, Jordi; Llopart-López, Josep R

2008-01-01

Health policies aimed at promoting collaboration amongst providers have led to different initiatives, amongst them integrated healthcare delivery systems (IDS); these have been analysed mainly in the USA but hardly so in Colombia or Spain . This article thus analyses the experience of two IDS in Catalonia for identifying elements for improvement. This was a case-study carried out via individual semi-structured interviews and analysing documents. Two IDS were selected; a sample of documents and reports providing information on analysis variables were selected for each case. Content was analysed via mixed categories and segmentation by cases and topics. Both IDS are health-care providing organisations presenting backward vertical integration, having total internal service production and virtual integration of ownership. BSA is funded by providing services whilst SSIBE relies on shareholding via capitation pilot test. Both have closely coordinated multiple managing bodies and have defined overall strategies orientated towards coordination and efficiency; they differ regarding implementation time. BSA has a divisional structure and SSIBE a functional one, organised by transversal areas. Clinical coordination is based on standardising processes and abilities, having few mechanisms for mutual adaptation and disparity in the number of instruments implemented. Both organisations presented enabling and hindering factors for clinical coordination which would need changes in internal and external components in order to improve overall efficiency and health care continuity.

Synthesis and structure of cesium complexes of nitrilotris(methylenephosphonic) acid [Cs-μ6-NH(CH2PO3)3H4] and [Cs2-μ10-NH(CH2PO3H)3] · H2O

NASA Astrophysics Data System (ADS)

Somov, N. V.; Chausov, F. F.; Zakirov, R. M.

2017-07-01

3D coordination polymers cesium nitrilotris(methylenephosphonate) and dicesium nitrilotris( methylenephosphonate) are synthesized and their crystal structure is determined. In the crystal of [Cs-μ6-NH(CH2PO3)3H4] (space group P, Z = 2), cesium atoms occupy two crystallographically inequivalent positions with c.n. = 10 and c.n. = 14. The phosphonate ligand plays the bridging function; its denticity is nine. The crystal packing consists of alternating layers of Cs atoms in different environments with layers of ligand molecules between them. A ligand is bound to three Cs atoms of one layer and three Cs atoms of another layer. In the crystal of [Cs2-μ10-NH(CH2PO3H)3] · H2O (space group P, Z = 2), the complex has a dimeric structure: the bridging phosphonate ligand coordinates Cs to form a three-dimensional Cs4O6 cluster. The denticity of the ligand is equal to nine; the coordination numbers of cesium atoms are seven and nine. Two-dimensional corrugated layers of Cs4O6 clusters lie in the (002) plane, and layers of ligand molecules are located between them. Each ligand molecule coordinates eight Cs atoms of one layer and two Cs atoms of the neighboring layer.

Coordinated control of micro-grid based on distributed moving horizon control.

PubMed

Ma, Miaomiao; Shao, Liyang; Liu, Xiangjie

2018-05-01

This paper proposed the distributed moving horizon coordinated control scheme for the power balance and economic dispatch problems of micro-grid based on distributed generation. We design the power coordinated controller for each subsystem via moving horizon control by minimizing a suitable objective function. The objective function of distributed moving horizon coordinated controller is chosen based on the principle that wind power subsystem has the priority to generate electricity while photovoltaic power generation coordinates with wind power subsystem and the battery is only activated to meet the load demand when necessary. The simulation results illustrate that the proposed distributed moving horizon coordinated controller can allocate the output power of two generation subsystems reasonably under varying environment conditions, which not only can satisfy the load demand but also limit excessive fluctuations of output power to protect the power generation equipment. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Bimanual coordination: A missing piece of arm rehabilitation after stroke.

PubMed

Kantak, Shailesh; Jax, Steven; Wittenberg, George

2017-01-01

Inability to use the arm in daily actions significantly lowers quality of life after stroke. Most contemporary post-stroke arm rehabilitation strategies that aspire to re-engage the weaker arm in functional activities have been greatly limited in their effectiveness. Most actions of daily life engage the two arms in a highly coordinated manner. In contrast, most rehabilitation approaches predominantly focus on restitution of the impairments and unilateral practice of the weaker hand alone. We present a perspective that this misalignment between real world requirements and intervention strategies may limit the transfer of unimanual capability to spontaneous arm use and functional recovery. We propose that if improving spontaneous engagement and use of the weaker arm in real life is the goal, arm rehabilitation research and treatment need to address the coordinated interaction between arms in targeted theory-guided interventions. Current narrow focus on unimanual deficits alone, difficulty in quantifying bimanual coordination in real-world actions and limited theory-guided focus on control and remediation of different coordination modes are some of the biggest obstacles to successful implementation of effective interventions to improve bimanual coordination in the real world. We present a theory-guided taxonomy of bimanual actions that will facilitate quantification of coordination for different real-world tasks and provide treatment targets for addressing coordination deficits. We then present evidence in the literature that points to bimanual coordination deficits in stroke survivors and demonstrate how current rehabilitation approaches are limited in their impact on bimanual coordination. Importantly, we suggest theory-based areas of future investigation that may assist quantification, identification of neural mechanisms and scientifically-based training/remediation approaches for bimanual coordination deficits post-stroke. Advancing the science and practice of arm rehabilitation to incorporate bimanual coordination will lead to a more complete functional recovery of the weaker arm, thus improving the effectiveness of rehabilitation interventions and augmenting quality of life after stroke.

Leadership in Multiteam Systems

ERIC Educational Resources Information Center

DeChurch, Leslie A.; Marks, Michelle A.

2006-01-01

This study examined 2 leader functions likely to be instrumental in synchronizing large systems of teams (i.e., multiteam systems [MTSs]). Leader strategizing and coordinating were manipulated through training, and effects on functional leadership, interteam coordination, and MTS performance were examined. Three hundred eighty-four undergraduate…

44 CFR 352.22 - Functions of the Federal Radiological Preparedness Coordinating Committee (FRPCC).

Code of Federal Regulations, 2010 CFR

2010-10-01

... Radiological Preparedness Coordinating Committee (FRPCC). 352.22 Section 352.22 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY, DEPARTMENT OF HOMELAND SECURITY PREPAREDNESS COMMERCIAL NUCLEAR POWER PLANTS: EMERGENCY PREPAREDNESS PLANNING Federal Participation § 352.22 Functions of the...

Electronic structure and reactivity of three-coordinate iron complexes.

PubMed

Holland, Patrick L

2008-08-01

[Reaction: see text]. The identity and oxidation state of the metal in a coordination compound are typically thought to be the most important determinants of its reactivity. However, the coordination number (the number of bonds to the metal) can be equally influential. This Account describes iron complexes with a coordination number of only three, which differ greatly from iron complexes with octahedral (six-coordinate) geometries with respect to their magnetism, electronic structure, preference for ligands, and reactivity. Three-coordinate complexes with a trigonal-planar geometry are accessible using bulky, anionic, bidentate ligands (beta-diketiminates) that steer a monodentate ligand into the plane of their two nitrogen donors. This strategy has led to a variety of three-coordinate iron complexes in which iron is in the +1, +2, and +3 oxidation states. Systematic studies on the electronic structures of these complexes have been useful in interpreting their properties. The iron ions are generally high spin, with singly occupied orbitals available for pi interactions with ligands. Trends in sigma-bonding show that iron(II) complexes favor electronegative ligands (O, N donors) over electropositive ligands (hydride). The combination of electrostatic sigma-bonding and the availability of pi-interactions stabilizes iron(II) fluoride and oxo complexes. The same factors destabilize iron(II) hydride complexes, which are reactive enough to add the hydrogen atom to unsaturated organic molecules and to take part in radical reactions. Iron(I) complexes use strong pi-backbonding to transfer charge from iron into coordinated alkynes and N 2, whereas iron(III) accepts charge from a pi-donating imido ligand. Though the imidoiron(III) complex is stabilized by pi-bonding in the trigonal-planar geometry, addition of pyridine as a fourth donor weakens the pi-bonding, which enables abstraction of H atoms from hydrocarbons. The unusual bonding and reactivity patterns of three-coordinate iron compounds may lead to new catalysts for oxidation and reduction reactions and may be used by nature in transient intermediates of nitrogenase enzymes.

The Functions of Metallothionein and ZIP and ZnT Transporters: An Overview and Perspective

PubMed Central

Kimura, Tomoki; Kambe, Taiho

2016-01-01

Around 3000 proteins are thought to bind zinc in vivo, which corresponds to ~10% of the human proteome. Zinc plays a pivotal role as a structural, catalytic, and signaling component that functions in numerous physiological processes. It is more widely used as a structural element in proteins than any other transition metal ion, is a catalytic component of many enzymes, and acts as a cellular signaling mediator. Thus, it is expected that zinc metabolism and homeostasis have sophisticated regulation, and elucidating the underlying molecular basis of this is essential to understanding zinc functions in cellular physiology and pathogenesis. In recent decades, an increasing amount of evidence has uncovered critical roles of a number of proteins in zinc metabolism and homeostasis through influxing, chelating, sequestrating, coordinating, releasing, and effluxing zinc. Metallothioneins (MT) and Zrt- and Irt-like proteins (ZIP) and Zn transporters (ZnT) are the proteins primarily involved in these processes, and their malfunction has been implicated in a number of inherited diseases such as acrodermatitis enteropathica. The present review updates our current understanding of the biological functions of MTs and ZIP and ZnT transporters from several new perspectives. PMID:26959009

Psychiatric symptoms mediate the effects of neurological soft signs on functional outcomes in patients with chronic schizophrenia: A longitudinal path-analytic study.

PubMed

Fong, Ted C T; Ho, Rainbow T H; Wan, Adrian H Y; Au-Yeung, Friendly S W

2017-03-01

Neurological soft signs (NSS) in motor coordination and sequencing occur in schizophrenia patients and are an intrinsic sign of the underlying neural dysfunctions. The present longitudinal study explored the relationships among NSS, psychiatric symptoms, and functional outcomes in 151 Chinese patients with chronic schizophrenia across a 6-month period. The participants completed neurological assessments at baseline (Time 1), psychiatric interviews at Time 1 and 3-month follow-up (Time 2), and self-report measures on daily functioning at 6-month follow-up (Time 3). Two possible (combined and cascading) path models were examined on predicting the functional outcomes. Direct and indirect effects of Time 1 NSS on Time 3 functional outcomes via Time 2 psychiatric symptoms were evaluated using path analysis under bootstrapping. Motor coordination and sequencing NSS did not have significant direct effects on functional outcomes. Motor coordination NSS exerted significant and negative indirect effects on functional outcomes via psychiatric symptoms. These results contribute to a better understanding of the determinants of functional outcomes by showing significant indirect pathways from motor coordination NSS to functional outcomes via psychiatric symptoms. That motor sequencing NSS did not affect functional outcomes either directly or indirectly may be explained by their trait marking features. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.

Inositol Hexakisphosphate Kinase-3 Regulates the Morphology and Synapse Formation of Cerebellar Purkinje Cells via Spectrin/Adducin

PubMed Central

Fu, Chenglai; Xu, Jing; Li, Ruo-Jing; Crawford, Joshua A.; Khan, A. Basit; Ma, Ting Martin; Cha, Jiyoung Y.; Snowman, Adele M.; Pletnikov, Mikhail V.

2015-01-01

The inositol hexakisphosphate kinases (IP6Ks) are the principal enzymes that generate inositol pyrophosphates. There are three IP6Ks (IP6K1, 2, and 3). Functions of IP6K1 and IP6K2 have been substantially delineated, but little is known of IP6K3's role in normal physiology, especially in the brain. To elucidate functions of IP6K3, we generated mice with targeted deletion of IP6K3. We demonstrate that IP6K3 is highly concentrated in the brain in cerebellar Purkinje cells. IP6K3 physiologically binds to the cytoskeletal proteins adducin and spectrin, whose mutual interactions are perturbed in IP6K3-null mutants. Consequently, IP6K3 knock-out cerebella manifest abnormalities in Purkinje cell structure and synapse number, and the mutant mice display deficits in motor learning and coordination. Thus, IP6K3 is a major determinant of cytoskeletal disposition and function of cerebellar Purkinje cells. SIGNIFICANCE STATEMENT We identified and cloned a family of three inositol hexakisphosphate kinases (IP6Ks) that generate the inositol pyrophosphates, most notably 5-diphosphoinositol pentakisphosphate (IP7). Of these, IP6K3 has been least characterized. In the present study we generated IP6K3 knock-out mice and show that IP6K3 is highly expressed in cerebellar Purkinje cells. IP6K3-deleted mice display defects of motor learning and coordination. IP6K3-null mice manifest aberrations of Purkinje cells with a diminished number of synapses. IP6K3 interacts with the cytoskeletal proteins spectrin and adducin whose altered disposition in IP6K3 knock-out mice may mediate phenotypic features of the mutant mice. These findings afford molecular/cytoskeletal mechanisms by which the inositol polyphosphate system impacts brain function. PMID:26245967

Neuropsychological, physical, and functional mobility measures associated with falls in cognitively impaired older adults.

PubMed

Taylor, Morag E; Delbaere, Kim; Lord, Stephen R; Mikolaizak, A Stefanie; Brodaty, Henry; Close, Jacqueline C T

2014-08-01

Older people with cognitive impairment have an elevated fall risk, with 60% falling annually. There is a lack of evidence for fall prevention in this population, in part due to limited understanding of risk factors. This study examined fall risk in older people with cognitive impairment with an emphasis on identifying explanatory and modifiable risk factors. One hundred and seventy-seven community-dwelling older people with mild-moderate cognitive impairment (Mini-Mental State Examination 11-23/Addenbrooke's Cognitive Examination-Revised <83) underwent neuropsychological, physical, and functional assessments. Falls were recorded prospectively for 12 months with the assistance of carers. Of the 174 participants available to follow-up, 111 (64%) fell at least once and 71 (41%) at least twice. Higher fall rates were associated with slower reaction time, impaired balance (sway on floor and foam, semitandem, near-tandem, tandem stance), and reduced functional mobility (co-ordinated stability, timed up-and-go, steps needed to turn 180°, sit-to-stand, gait velocity). Higher fall rates were also associated with increased medication use (central nervous system, total number) and poorer performances in cognitive (Addenbrooke's Cognitive Examination-Revised: visuospatial domain, cube drawing; Trail-Making Test) and psychological (Geriatric Depression Scale, Goldberg Anxiety Scale, Falls Efficacy Scale-International) tests. Multivariate analysis identified increased sway on foam, co-ordinated stability score, and depressive symptoms to be significantly and independently associated with falls while controlling for age, years of education, and Addenbrooke's Cognitive Examination-Revised score. This study identified several risk factors of falls in older people with cognitive impairment, a number of which are potentially modifiable. Future research involving targeted interventions addressing medication use, balance, mood, and functional performance may prove useful for fall prevention in this population. © The Author 2013. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Majorization Minimization by Coordinate Descent for Concave Penalized Generalized Linear Models

PubMed Central

Jiang, Dingfeng; Huang, Jian

2013-01-01

Recent studies have demonstrated theoretical attractiveness of a class of concave penalties in variable selection, including the smoothly clipped absolute deviation and minimax concave penalties. The computation of the concave penalized solutions in high-dimensional models, however, is a difficult task. We propose a majorization minimization by coordinate descent (MMCD) algorithm for computing the concave penalized solutions in generalized linear models. In contrast to the existing algorithms that use local quadratic or local linear approximation to the penalty function, the MMCD seeks to majorize the negative log-likelihood by a quadratic loss, but does not use any approximation to the penalty. This strategy makes it possible to avoid the computation of a scaling factor in each update of the solutions, which improves the efficiency of coordinate descent. Under certain regularity conditions, we establish theoretical convergence property of the MMCD. We implement this algorithm for a penalized logistic regression model using the SCAD and MCP penalties. Simulation studies and a data example demonstrate that the MMCD works sufficiently fast for the penalized logistic regression in high-dimensional settings where the number of covariates is much larger than the sample size. PMID:25309048

Association Between Chronic Conditions and Physical Function Among Veteran and Non-Veteran Women With Diabetes

PubMed Central

Gray, Kristen E.; Katon, Jodie G.; Rillamas-Sun, Eileen; Bastian, Lori A.; Nelson, Karin M.; LaCroix, Andrea Z.; Reiber, Gayle E.

2016-01-01

Abstract Purpose of the Study: To compare the number of chronic conditions among a list of 12 and their association with physical function among postmenopausal non-Veteran and Veteran women with diabetes. Design and Methods: Among women with diabetes from the Women’s Health Initiative, we compared the average number of chronic conditions between non-Veterans and Veterans and the association between total number of chronic conditions on subsequent RAND-36 physical function. To examine associations between each condition and subsequent physical function, we compared women with diabetes plus one chronic condition to women with diabetes alone using linear regression in separate models for each condition and for non-Veterans and Veterans. Results: Both non-Veterans ( N = 23,542) and Veterans ( N = 618) with diabetes had a median of 3 chronic conditions. Decreases in physical function for each additional condition were larger among Veterans than non-Veterans (−6.3 vs. −4.1 points). Decreases in physical function among women with diabetes plus one chronic condition were greater than that reported for diabetes alone for all combinations and were more pronounced among Veterans (non-Veterans: −11.1 to −24.2, Veterans: −16.6 to −40.4 points). Hip fracture, peripheral artery disease, cerebrovascular disease, and coronary disease in combination with diabetes were associated with the greatest decreases in physical function. Implications: Chronic conditions were common among postmenopausal women with diabetes and were associated with large declines in physical function, particularly among Veterans. Interventions to prevent and reduce the impact of these conditions and facilitate coordination of care among women with diabetes may help them maintain physical function. PMID:26768385

First principles simulation of amorphous InSb

NASA Astrophysics Data System (ADS)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-05-01

Ab initio molecular dynamics simulations based on density functional theory have been performed to generate a model of amorphous InSb by quenching from the melt. The resulting network is mostly tetrahedral with a minor fraction (10%) of atoms in a fivefold coordination. The structural properties are in good agreement with available x-ray diffraction and extended x-ray-absorption fine structure data and confirm the proposed presence of a sizable fraction of homopolar In-In and Sb-Sb bonds whose concentration in our model amounts to about 20% of the total number of bonds.

Computer simulation of formation and decomposition of Au13 nanoparticles

NASA Astrophysics Data System (ADS)

Stishenko, P.; Svalova, A.

2017-08-01

To study the Ostwald ripening process of Au13 nanoparticles a two-scale model is constructed: analytical approximation of average nanoparticle energy as function of nanoparticle size and structural motive, and the Monte Carlo model of 1000 particles ensemble. Simulation results show different behavior of particles of different structural motives. The change of the distributions of atom coordination numbers during the Ostwald ripening process was observed. The nanoparticles of the equal size and shape with the face-centered cubic structure of the largest sizes appeared to be the most stable.

Coordination of precision grip in 2–6 years-old children with autism spectrum disorders compared to children developing typically and children with developmental disabilities

PubMed Central

David, Fabian J.; Baranek, Grace T.; Wiesen, Chris; Miao, Adrienne F.; Thorpe, Deborah E.

2012-01-01

Impaired motor coordination is prevalent in children with Autism Spectrum Disorders (ASD) and affects adaptive skills. Little is known about the development of motor patterns in young children with ASD between 2 and 6 years of age. The purpose of the current study was threefold: (1) to describe developmental correlates of motor coordination in children with ASD, (2) to identify the extent to which motor coordination deficits are unique to ASD by using a control group of children with other developmental disabilities (DD), and (3) to determine the association between motor coordination variables and functional fine motor skills. Twenty-four children with ASD were compared to 30 children with typical development (TD) and 11 children with DD. A precision grip task was used to quantify and analyze motor coordination. The motor coordination variables were two temporal variables (grip to load force onset latency and time to peak grip force) and two force variables (grip force at onset of load force and peak grip force). Functional motor skills were assessed using the Fine Motor Age Equivalents of the Vineland Adaptive Behavior Scale and the Mullen Scales of Early Learning. Mixed regression models were used for all analyses. Children with ASD presented with significant motor coordination deficits only on the two temporal variables, and these variables differentiated children with ASD from the children with TD, but not from children with DD. Fine motor functional skills had no statistically significant associations with any of the motor coordination variables. These findings suggest that subtle problems in the timing of motor actions, possibly related to maturational delays in anticipatory feed-forward mechanisms, may underlie some motor deficits reported in children with ASD, but that these issues are not unique to this population. Further research is needed to investigate how children with ASD or DD compensate for motor control deficits to establish functional skills. PMID:23293589

Equidistant map projections of a triaxial ellipsoid with the use of reduced coordinates

NASA Astrophysics Data System (ADS)

Pędzich, Paweł

2017-12-01

The paper presents a new method of constructing equidistant map projections of a triaxial ellipsoid as a function of reduced coordinates. Equations for x and y coordinates are expressed with the use of the normal elliptic integral of the second kind and Jacobian elliptic functions. This solution allows to use common known and widely described in literature methods of solving such integrals and functions. The main advantage of this method is the fact that the calculations of x and y coordinates are practically based on a single algorithm that is required to solve the elliptic integral of the second kind. Equations are provided for three types of map projections: cylindrical, azimuthal and pseudocylindrical. These types of projections are often used in planetary cartography for presentation of entire and polar regions of extraterrestrial objects. The paper also contains equations for the calculation of the length of a meridian and a parallel of a triaxial ellipsoid in reduced coordinates. Moreover, graticules of three coordinates systems (planetographic, planetocentric and reduced) in developed map projections are presented. The basic properties of developed map projections are also described. The obtained map projections may be applied in planetary cartography in order to create maps of extraterrestrial objects.

Derivation of nonlinear wave equations for ultrasound beam in nonuniform bubbly liquids

NASA Astrophysics Data System (ADS)

Kanagawa, Tetsuya; Yano, Takeru; Kawahara, Junya; Kobayashi, Kazumichi; Watanabe, Masao; Fujikawa, Shigeo

2012-09-01

Weakly nonlinear propagation of diffracted ultrasound beams in a nonuniform bubbly liquid is theoretically studied based on the method of multiple scales with the set of scaling relations of some physical parameters. It is assumed that the spatial distribution of the number density of bubbles in an initial state at rest is a slowly varying function of space coordinates and the amplitude of its variation is small compared with a mean number density. As a result, a Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation with dispersion and nonuniform effects for a low frequency case and a nonlinear Schrödinger (NLS) equation with dissipation, diffraction, and nonuniform effects for a high frequency case, are derived from the basic equations of bubbly flows.

Comprehensive Fe-ligand vibration identification in {FeNO} 6 Hemes

DOE PAGES

Li, Jianfeng; Peng, Qian; Oliver, Allen G.; ...

2014-12-09

Oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS) has been used to obtain all iron vibrations in two {FeNO} 6 porphyrinate complexes, five-coordinate [Fe(OEP)(NO)]ClO 4 and six-coordinate [Fe(OEP)(2-MeHIm)(NO)]ClO 4. A new crystal structure was required for measurements of [Fe(OEP)(2-MeHIm)(NO)]ClO 4, and the new structure is reported herein. Single crystals of both complexes were oriented to be either parallel or perpendicular to the porphyrin plane and/or axial imidazole ligand plane. Thus, the FeNO bending and stretching modes can now be unambiguously assigned; the pattern of shifts in frequency as a function of coordination number can also be determined. The pattern is quitemore » distinct from those found for CO or {FeNO} 7 heme species. This is the result of unchanging Fe–N NO bonding interactions in the {FeNO} 6 species, in distinct contrast to the other diatomic ligand species. DFT calculations were also used to obtain detailed predictions of vibrational modes. Predictions were consistent with the intensity and character found in the experimental spectra. The NRVS data allow the assignment and observation of the challenging to obtain Fe–Im stretch in six-coordinate heme derivatives. Furthermore, NRVS data for this and related six-coordinate hemes with the diatomic ligands CO, NO, and O 2 reveal a strong correlation between the Fe–Im stretch and Fe–N Im bond distance that is detailed for the first time.« less

Iron chemistry at the service of life.

PubMed

Sánchez, Manu; Sabio, Laura; Gálvez, Natividad; Capdevila, Mercè; Dominguez-Vera, Jose M

2017-06-01

Iron is an essential element for almost all organisms on Earth. It is necessary for a number of crucial processes such as hemoglobin and myoglobin transport and storage of oxygen in mammals; electron transfer support in a variety of iron-sulfur protein or cytochrome reactions; and activation and catalysis of reactions of a wide range of substrate like alkanes, olefins, and alcohols. Living organisms adopted iron as the main metal to carry out all of these functions due to the rich coordination chemistry of its two main redox states, Fe 2+ and Fe 3+ , and because of its abundance in the Earth's crust and oceans. This paper presents an overview of the coordination chemistry of iron that makes it suitable for a large variety of functions within biological systems. Despite iron's chemical advantages, organisms were forced to manage with some drawbacks: Fe 3+ insolubility and the formation of toxic radicals, especially the hydroxyl radical. Iron chemistry within biology is an example of how organisms evolved by creating molecular machinery to overcome these difficulties and perform crucial processes with extraordinary elegance and efficiency. © 2017 IUBMB Life, 69(6):382-388, 2017. © 2017 International Union of Biochemistry and Molecular Biology.

Free solar lanterns to below poverty line girls in India: a step toward achieving millennium development goals.

PubMed

Garg, Rajesh

2014-01-01

Development sectors like health cannot function in isolation. Intersectoral coordination between various departments helps in bringing a positive change in the health-seeking behavior of society in the long run. The decision by the Government of India to provide free solar lanterns (lamps) to the school-going girls of below poverty line families is a welcome step in this context. This initiative would help in reducing the number of school dropout girls and thus help in improving the health indicators that are directly related to women's education. Thus it is an initiative that will help in attainment of Millennium Development Goals through women's education and empowerment. Along with that, the environment-friendly approach will definitely have an impact on health of the girls by switching from kerosene/wood stoves to solar lantern light. Also this initiative would pave the path of real "intersectoral coordination" in the health sector in India that is marred with watertight functioning of various departments. There is an urgent need to popularize the scheme and involve different stakeholders like corporate houses, media, nongovernment organizations, multinational welfare agencies, and local governing bodies for ensuring the availability and utilization of solar lanterns in India.

Connecting the Kinetics and Energy Landscape of tRNA Translocation on the Ribosome

PubMed Central

Whitford, Paul C.; Blanchard, Scott C.; Cate, Jamie H. D.; Sanbonmatsu, Karissa Y.

2013-01-01

Functional rearrangements in biomolecular assemblies result from diffusion across an underlying energy landscape. While bulk kinetic measurements rely on discrete state-like approximations to the energy landscape, single-molecule methods can project the free energy onto specific coordinates. With measures of the diffusion, one may establish a quantitative bridge between state-like kinetic measurements and the continuous energy landscape. We used an all-atom molecular dynamics simulation of the 70S ribosome (2.1 million atoms; 1.3 microseconds) to provide this bridge for specific conformational events associated with the process of tRNA translocation. Starting from a pre-translocation configuration, we identified sets of residues that collectively undergo rotary rearrangements implicated in ribosome function. Estimates of the diffusion coefficients along these collective coordinates for translocation were then used to interconvert between experimental rates and measures of the energy landscape. This analysis, in conjunction with previously reported experimental rates of translocation, provides an upper-bound estimate of the free-energy barriers associated with translocation. While this analysis was performed for a particular kinetic scheme of translocation, the quantitative framework is general and may be applied to energetic and kinetic descriptions that include any number of intermediates and transition states. PMID:23555233

Connecting the kinetics and energy landscape of tRNA translocation on the ribosome.

PubMed

Whitford, Paul C; Blanchard, Scott C; Cate, Jamie H D; Sanbonmatsu, Karissa Y

2013-01-01

Functional rearrangements in biomolecular assemblies result from diffusion across an underlying energy landscape. While bulk kinetic measurements rely on discrete state-like approximations to the energy landscape, single-molecule methods can project the free energy onto specific coordinates. With measures of the diffusion, one may establish a quantitative bridge between state-like kinetic measurements and the continuous energy landscape. We used an all-atom molecular dynamics simulation of the 70S ribosome (2.1 million atoms; 1.3 microseconds) to provide this bridge for specific conformational events associated with the process of tRNA translocation. Starting from a pre-translocation configuration, we identified sets of residues that collectively undergo rotary rearrangements implicated in ribosome function. Estimates of the diffusion coefficients along these collective coordinates for translocation were then used to interconvert between experimental rates and measures of the energy landscape. This analysis, in conjunction with previously reported experimental rates of translocation, provides an upper-bound estimate of the free-energy barriers associated with translocation. While this analysis was performed for a particular kinetic scheme of translocation, the quantitative framework is general and may be applied to energetic and kinetic descriptions that include any number of intermediates and transition states.

Unpredictability and the transmission of numbers

NASA Astrophysics Data System (ADS)

Myers, John M.; Madjid, F. Hadi

2016-03-01

Curiously overlooked in physics is its dependence on the transmission of numbers. For example, the transmission of numerical clock readings is implicit in the concept of a coordinate system. The transmission of numbers and other logical distinctions is often achieved over a computer-mediated communications network in the face of an unpredictable environment. By unpredictable we mean something stronger than the spread of probabilities over given possible outcomes, namely an opening to unforeseeable possibilities. Unpredictability, until now overlooked in theoretical physics, makes the transmission of numbers interesting. Based on recent proofs within quantum theory that provide a theoretical foundation to unpredictability, here we show how regularities in physics rest on a background of channels over which numbers are transmitted. As is known to engineers of digital communications, numerical transmissions depend on coordination reminiscent of the cycle of throwing and catching by players tossing a ball back and forth. In digital communications, the players are computers, and the required coordination involves unpredictably adjusting "live clocks" that step these computers through phases of a cycle. We show how this phasing, which we call logical synchronization, constrains number-carrying networks, and, if a spacetime manifold in invoked, put "stripes" on spacetime. Via its logically synchronized channels, a network of live clocks serves as a reference against which to locate events. Such a network in any case underpins a coordinate frame, and in some cases the direct use of a network can be tailored to investigate an unpredictable environment. Examples include explorations of gravitational variations near Earth.

International NGOs and the role of network centrality in humanitarian aid operations: a case study of coordination during the 2000 Mozambique floods.

PubMed

Moore, Spencer; Eng, Eugenia; Daniel, Mark

2003-12-01

In February 2000, Mozambique suffered its worst flooding in almost 50 years: 699 people died and hundreds of thousands were displaced. Over 49 countries and 30 international non-governmental organisations provided humanitarian assistance. Coordination of disaster assistance is critical for effective humanitarian aid operations, but limited attention has been directed toward evaluating the system-wide structure of inter-organisational coordination during humanitarian operations. Network analysis methods were used to examine the structure of inter-organisational relations among 65 non-governmental organisations (NGOs) involved in the flood operations in Mozambique. Centrality scores were used to estimate NGO-specific potential for aid coordination and tested against NGO beneficiary numbers. The average number of relief- and recovery-period beneficiaries was significantly greater for NGOs with high relative to low centrality scores (p < 0.05). This report addresses the significance of these findings in the context of the Mozambican 2000 floods and the type of data required to evaluate system-wide coordination.

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures

PubMed Central

Prescher, Clemens; Prakapenka, Vitali B.; Stefanski, Johannes; Jahn, Sandro; Skinner, Lawrie B.; Wang, Yanbin

2017-01-01

We investigated the structure of SiO2 glass up to 172 GPa using high-energy X-ray diffraction. The combination of a multichannel collimator with diamond anvil cells enabled the measurement of structural changes in silica glass with total X-ray diffraction to previously unachievable pressures. We show that SiO2 first undergoes a change in Si–O coordination number from fourfold to sixfold between 15 and 50 GPa, in agreement with previous investigations. Above 50 GPa, the estimated coordination number continuously increases from 6 to 6.8 at 172 GPa. Si–O bond length shows first an increase due to the fourfold to sixfold coordination change and then a smaller linear decrease up to 172 GPa. We reconcile the changes in relation to the oxygen-packing fraction, showing that oxygen packing decreases at ultrahigh pressures to accommodate the higher than sixfold Si–O coordination. These results give experimental insight into the structural changes of silicate glasses as analogue materials for silicate melts at ultrahigh pressures. PMID:28874582

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures.

PubMed

Prescher, Clemens; Prakapenka, Vitali B; Stefanski, Johannes; Jahn, Sandro; Skinner, Lawrie B; Wang, Yanbin

2017-09-19

We investigated the structure of SiO 2 glass up to 172 GPa using high-energy X-ray diffraction. The combination of a multichannel collimator with diamond anvil cells enabled the measurement of structural changes in silica glass with total X-ray diffraction to previously unachievable pressures. We show that SiO 2 first undergoes a change in Si-O coordination number from fourfold to sixfold between 15 and 50 GPa, in agreement with previous investigations. Above 50 GPa, the estimated coordination number continuously increases from 6 to 6.8 at 172 GPa. Si-O bond length shows first an increase due to the fourfold to sixfold coordination change and then a smaller linear decrease up to 172 GPa. We reconcile the changes in relation to the oxygen-packing fraction, showing that oxygen packing decreases at ultrahigh pressures to accommodate the higher than sixfold Si-O coordination. These results give experimental insight into the structural changes of silicate glasses as analogue materials for silicate melts at ultrahigh pressures.

Practices and Institutional Effects of Function-Implementation by the Professional Staff of Statewide Coordinating Agencies for Public Junior Colleges.

ERIC Educational Resources Information Center

Stuckman, Jeffrey Alan

The implementation of selected coordinating functions by the professional staffs of state Junior College Boards in Florida and Illinois, and effects of the implementation practices on individual community-junior college integrity were investigated in this study. A survey of the literature revealed the generally recognized functions for which state…

47 CFR 0.121 - Location of field installations.

Code of Federal Regulations, 2011 CFR

2011-10-01

... throughout the United States. For the address and phone number of the closest office contact the Enforcement... geographical coordinates (coordinates are referenced to North American Datum 1983 (NAD83)): Allegan, Michigan...

47 CFR 0.121 - Location of field installations.

Code of Federal Regulations, 2010 CFR

2010-10-01

... throughout the United States. For the address and phone number of the closest office contact the Enforcement... geographical coordinates (coordinates are referenced to North American Datum 1983 (NAD83)): Allegan, Michigan...

Missouri Coordinating Board for Higher Education Fiscal Year 2005 Annual Report

ERIC Educational Resources Information Center

Fitch, Gregory G.; Stein, Robert; Matchefts, Jim; Peterson, Dan; Imhoff, Donna; Miner, Brenda; Fennewald, Amy

2005-01-01

The Coordinating Board for Higher Education and the Missouri Department of Higher Education present this fiscal year 2005 Annual Report to inform individuals of the state's status and progress in higher education. The Coordinating Board for Higher Education (CBHE) began the 2005 calendar year with a number of significant changes. The board and its…

The Development and Standardization of the Adult Developmental Co-Ordination Disorders/Dyspraxia Checklist (ADC)

ERIC Educational Resources Information Center

Kirby, Amanda; Edwards, Lisa; Sugden, David; Rosenblum, Sara

2010-01-01

Developmental Co-ordination Disorder (DCD), also known as Dyspraxia in the United Kingdom (U.K.), is a developmental disorder affecting motor co-ordination. In the past this was regarded as a childhood disorder, however there is increasing evidence that a significant number of children will continue to have persistent difficulties into adulthood.…

Obtaining Training Stations. Module Number 3. Work Experience Program Modules. Coordination Techniques Series.

ERIC Educational Resources Information Center

Schmalle, Bonnie

This self-instructional module, one of 16 on techniques for coordinating work experience programs, provides preservice and inservice educational materials for teacher-coordinators supervising on the job training. The three goals stated for this module are (1) to know the types of information needed to obtain an appropriate training station, (2) to…

40 CFR 761.283 - Determination of the number of samples to collect and sample collection locations.

Code of Federal Regulations, 2011 CFR

2011-07-01

... sampling points after the recleaning, but select three new pairs of sampling coordinates. (i) Beginning in the southwest corner (lower left when facing magnetic north) of the area to be sampled, measure in... new pair of sampling coordinates. Continue to select pairs of sampling coordinates until three are...

Metal-organometallic polymers and frameworks derived from facially metalated arylcarboxylates

NASA Astrophysics Data System (ADS)

Kumalah Robinson, Sayon A.

The interest in coordination polymers, also known as metal-organic frameworks, has risen drastically over the past 2 decades. In this time, the field has matured and given rise to a diverse range of crystalline structures possessing various functionalities. Coordination polymers are typically formed from the self assembly of metal ions which serve as nodes and organic ligands which act as bridges. By the careful selection of the organic ligand and the metal ion, the overall physical properties of the material may be tuned. In this work, the use of organometallic bridging ligands are explored using facially metalated aryl carboxylates ligands to synthesize metal-organometallic frameworks (MOMFs). Therefore, with the aim of synthesizing [CpM]+-functionalized (M = FeII, RuII; Cp = cyclopentadienyl) coordination polymers and metal organic frameworks, various [CpFe]+and [CpRu] + functionalized aryl carboxylates were synthesized and characterized. In particular, the [CpFe]+-functionalized benzoic, terephthalic and trimesic acids as well as the [CpRu]+-functionalized terephthalic acid were made. Using the [CpFe]+ complexes of the benzoic and terephthalic acid as bridging ligands, a number of 1D and 2D coordination polymers were synthesized. For instance, the reaction of [CpFe]+-functionalized benzoic acid with CdCl2 yielded the 1D chain of [Cd(benzoate)Cl 2]˙H2O whilst the reaction of [CpFe]+-functionalized terephthalic acid with Cu(NO3)2˙6H2O yielded a 2D square grid sheet. Using the [CpFe]+-functionalized terephthalic acid, a series of polymorphic, 3D metal-organometallic frameworks of the general formula [M3(terephthalate)4(mu-H2O)2(H 2O)2][NO3]2˙xsolvent (M = Co II, NiII ; solvent = EtOH, DMF, H2O) were synthesized and fully characterized. The polymorphic nature of these frameworks may be attributed to the different orientations that the [CpFe]+ moiety may adapt within the cavities in the 3D frameworks. The selectivity of the desolvated forms of the polymorphs for various alcohols was also probed. A framework having the same 3D topology but slightly different composition as the polymorphic frameworks of [M3(terephthalate)4(mu-H 2O)2(H2O)2][NO3]2˙ xsolvent was obtained using MnBr2˙4H2O. The solvothermal reaction of [CpFe]+-functionalized terephthalic acid and Co(NO3)2˙6H2O afforded the first microporous metal-organometallic phosphate. This 3D framework formed a cubic, 12-connected face centered net featuring a novel dodecanuclear truncated tetrahedral node consisting of [CpFe(terephthalate)]+, CoII, F- and phosphate ions. Lastly, the [CpFe]+-functionalized terephthalic acid was successfully reticulated into the MIL-88 and MIL 53 framework topologies indicating that the metalated ligand may be used to synthesis both known and novel 3D metal organic frameworks.

Numerical solution of potential flow about arbitrary 2-dimensional multiple bodies

NASA Technical Reports Server (NTRS)

Thompson, J. F.; Thames, F. C.

1982-01-01

A procedure for the finite-difference numerical solution of the lifting potential flow about any number of arbitrarily shaped bodies is given. The solution is based on a technique of automatic numerical generation of a curvilinear coordinate system having coordinate lines coincident with the contours of all bodies in the field, regardless of their shapes and number. The effects of all numerical parameters involved are analyzed and appropriate values are recommended. Comparisons with analytic solutions for single Karman-Trefftz airfoils and a circular cylinder pair show excellent agreement. The technique of application of the boundary-fitted coordinate systems to the numerical solution of partial differential equations is illustrated.

Hospital marketing orientation and managed care processes: are they coordinated?

PubMed

White, K R; Thompson, J M; Patel, U B

2001-01-01

The hospital marketing function has been widely adopted as a way to learn about markets, attract sufficient resources, develop appropriate services, and communicate the availability of such goods to those who may be able to purchase such services. The structure, tasks, and effectiveness of the marketing function have been the subject of increased inquiry by researchers and practitioners alike. A specific understanding of hospital marketing in a growing managed care environment and the relationship between marketing and managed care processes in hospitals is a growing concern. Using Kotler and Clarke's framework for assessing marketing orientation, we examined the marketing orientation of hospitals in a single state at two points in time--1993 and 1999. Study findings show that the overall marketing orientation score decreased from 1993 to 1999 for the respondent hospitals. The five elements of the Kotler and Clarke definition of marketing orientation remained relatively stable, with slightly lower scores related to customer philosophy. In addition, we evaluated the degree to which selected managed care activities are carried out as part of its marketing function. A significant (p < .05) decrease in managed care processes coordinated with the formal marketing function was evident from 1993 to 1999. With increasing numbers of managed care plan enrollees, hospitals are likely focusing on organizational buyers as important customers. In order to appeal to organizational buyers, hospital executives may be focusing more on clinical quality and cost efficiency in the production of services, which will improve a hospital's position with organizational buyers.

Abnormalities in brain structure and behavior in GSK-3alpha mutant mice

PubMed Central

2009-01-01

Background Glycogen synthase kinase-3 (GSK-3) is a widely expressed and highly conserved serine/threonine protein kinase encoded by two genes that generate two related proteins: GSK-3α and GSK-3β. Mice lacking a functional GSK-3α gene were engineered in our laboratory; they are viable and display insulin sensitivity. In this study, we have characterized brain functions of GSK-3α KO mice by using a well-established battery of behavioral tests together with neurochemical and neuroanatomical analysis. Results Similar to the previously described behaviours of GSK-3β+/-mice, GSK-3α mutants display decreased exploratory activity, decreased immobility time and reduced aggressive behavior. However, genetic inactivation of the GSK-3α gene was associated with: decreased locomotion and impaired motor coordination, increased grooming activity, loss of social motivation and novelty; enhanced sensorimotor gating and impaired associated memory and coordination. GSK-3α KO mice exhibited a deficit in fear conditioning, however memory formation as assessed by a passive avoidance test was normal, suggesting that the animals are sensitized for active avoidance of a highly aversive stimulus in the fear-conditioning paradigm. Changes in cerebellar structure and function were observed in mutant mice along with a significant decrease of the number and size of Purkinje cells. Conclusion Taken together, these data support a role for the GSK-3α gene in CNS functioning and possible involvement in the development of psychiatric disorders. PMID:19925672

Solutions for data integration in functional genomics: a critical assessment and case study.

PubMed

Smedley, Damian; Swertz, Morris A; Wolstencroft, Katy; Proctor, Glenn; Zouberakis, Michael; Bard, Jonathan; Hancock, John M; Schofield, Paul

2008-11-01

The torrent of data emerging from the application of new technologies to functional genomics and systems biology can no longer be contained within the traditional modes of data sharing and publication with the consequence that data is being deposited in, distributed across and disseminated through an increasing number of databases. The resulting fragmentation poses serious problems for the model organism community which increasingly rely on data mining and computational approaches that require gathering of data from a range of sources. In the light of these problems, the European Commission has funded a coordination action, CASIMIR (coordination and sustainability of international mouse informatics resources), with a remit to assess the technical and social aspects of database interoperability that currently prevent the full realization of the potential of data integration in mouse functional genomics. In this article, we assess the current problems with interoperability, with particular reference to mouse functional genomics, and critically review the technologies that can be deployed to overcome them. We describe a typical use-case where an investigator wishes to gather data on variation, genomic context and metabolic pathway involvement for genes discovered in a genome-wide screen. We go on to develop an automated approach involving an in silico experimental workflow tool, Taverna, using web services, BioMart and MOLGENIS technologies for data retrieval. Finally, we focus on the current impediments to adopting such an approach in a wider context, and strategies to overcome them.

Overreaching in coordination dynamics therapy in an athlete with a spinal cord injury.

PubMed

Schalow, G; Vaher, I; Jaigma, P

2008-03-01

A motocross athlete suffered a clinically complete spinal cord injury (SCI) during competition. Although MRIs (magnetic resonance imaging) showed a complete spinal cord injury at the Thoracic 11/12 levels, surface EMG recordings indicated the survival of few tract fibres across the injury site. Six weeks after the accident the subject began intensive Coordination Dynamics Therapy (CDT) at an up-to-date therapy centre. The subject trained at his physical limits to induce structural and functional repair. Exercising at variable loads between 20 and 200N (on a special CDT and recording device) generated periods of overreaching and super-compensation. By plotting coordination dynamics values (kinesiology), including high-load exertion (200N) and hysteresis curves, periods of overreaching and super-compensation were made graphically visible. It was found that symmetrical improvements of central nervous system (CNS) functioning occurred during overreaching. Improvements in spinal cord functioning were achieved throughout one year of CDT in this chronically injured subject with an almost anatomically complete SCI. It is discussed that the measuring of CNS functions by means of recording coordination dynamics is a powerful and non-invasive tool ideal for exact quantitative and qualitative measurements of improvement (or change) in CNS functioning. Such diagnostics may be of particular importance in sport during training and before competition. Also, coordination dynamics might be used to measure the effects of prolonged exposure to reduced gravitational conditions on CNS functions, such as faced by astronauts.

A harmonic adiabatic approximation to calculate highly excited vibrational levels of ``floppy molecules''

NASA Astrophysics Data System (ADS)

Lauvergnat, David; Nauts, André; Justum, Yves; Chapuisat, Xavier

2001-04-01

The harmonic adiabatic approximation (HADA), an efficient and accurate quantum method to calculate highly excited vibrational levels of molecular systems, is presented. It is well-suited to applications to "floppy molecules" with a rather large number of atoms (N>3). A clever choice of internal coordinates naturally suggests their separation into active, slow, or large amplitude coordinates q', and inactive, fast, or small amplitude coordinates q″, which leads to an adiabatic (or Born-Oppenheimer-type) approximation (ADA), i.e., the total wave function is expressed as a product of active and inactive total wave functions. However, within the framework of the ADA, potential energy data concerning the inactive coordinates q″ are required. To reduce this need, a minimum energy domain (MED) is defined by minimizing the potential energy surface (PES) for each value of the active variables q', and a quadratic or harmonic expansion of the PES, based on the MED, is used (MED harmonic potential). In other words, the overall picture is that of a harmonic valley about the MED. In the case of only one active variable, we have a minimum energy path (MEP) and a MEP harmonic potential. The combination of the MED harmonic potential and the adiabatic approximation (harmonic adiabatic approximation: HADA) greatly reduces the size of the numerical computations, so that rather large molecules can be studied. In the present article however, the HADA is applied to our benchmark molecule HCN/CNH, to test the validity of the method. Thus, the HADA vibrational energy levels are compared and are in excellent agreement with the ADA calculations (adiabatic approximation with the full PES) of Light and Bačić [J. Chem. Phys. 87, 4008 (1987)]. Furthermore, the exact harmonic results (exact calculations without the adiabatic approximation but with the MEP harmonic potential) are compared to the exact calculations (without any sort of approximation). In addition, we compare the densities of the bending motion during the HCN/CNH isomerization, computed with the HADA and the exact wave function.

[Mitochondria inheritance in yeast saccharomyces cerevisiae].

PubMed

Fizikova, A Iu

2011-01-01

The review is devoted to the main mechanisms of mitochondria inheritance in yeast Saccharonmyces cerevisiae. The genetic mechanisms of functionally active mitochondria inheritance in eukaryotic cells is one of the most relevant in modem researches. A great number of genetic diseases are associated with mitochondria dysfunction. Plasticity of eukaryotic cell metabolism according to the environmental changes is ensured by adequate mitochondria functioning by means of ATP synthesis coordination, reactive oxygen species accumulation, apoptosis regulation and is an important factor of cell adaptation to stress. Mitochondria participation in important for cell vitality processes masters the presence of accurate mechanisms of mitochondria functions regulation according to environment fluctuations. The mechanisms of mitochondria division and distribution are highly conserved. Baker yeast S. cerevisiae is an ideal model object for mitochondria researches due to energetic metabolism lability, ability to switch over respiration to fermentation, and petite-positive phenotype. Correction of metabolism according to the environmental changes is necessary for cell vitality. The influence of respiratory, carbon, amino acid and phosphate metabolism on mitochondria functions was shown. As far as the mechanisms that stabilize functions of mitochondria and mtDNA are highly conserve, we can project yeast regularities on higher eukaryotes systems. This makes it possible to approximate understanding the etiology and pathogenesis of a great number of human diseases.

75 FR 61157 - Statement of Organization, Functions and Delegations of Authority

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-04

... coordinates personnel activities for BPHC; (3) provides organization and management analysis, coordinating the... Organization, Functions and Delegations of Authority This notice amends Part R of the Statement of Organization... Primary Health Care (RC). Specifically, this notice (1) Creates the Office of Administrative Management...

Atypical inter-hemispheric communication correlates with altered motor inhibition during learning of a new bimanual coordination pattern in developmental coordination disorder.

PubMed

Blais, Mélody; Amarantini, David; Albaret, Jean-Michel; Chaix, Yves; Tallet, Jessica

2018-05-01

Impairment of motor learning skills in developmental coordination disorder (DCD) has been reported in several studies. Some hypotheses on neural mechanisms of motor learning deficits in DCD have emerged but, to date, brain-imaging investigations are scarce. The aim of the present study is to assess possible changes in communication between brain areas during practice of a new bimanual coordination task in teenagers with DCD (n = 10) compared to matched controls (n = 10). Accuracy, stability and number of mirror movements were computed as behavioural variables. Neural variables were assessed by electroencephalographic coherence analyses of intra-hemispheric and inter-hemispheric fronto-central electrodes. In both groups, accuracy of the new coordination increased concomitantly with right intra-hemispheric fronto-central coherence. Compared to typically developing teenagers, DCD teenagers presented learning difficulties expressed by less stability, no stabilization of the new coordination and a greater number of mirror movements despite practice. These measures correlated with reduced inter-hemispheric communication, even after practice of the new coordination. For the first time, these findings provide neuro-imaging evidence of a kind of inter-hemispheric 'disconnection' related to altered inhibition of mirror movements during motor learning in DCD. © 2017 John Wiley & Sons Ltd.

Waterborne carboxyl-terminated hyperbranched oligomer polyester ligand: Synthesis, characterization and chelation with chromium(III)

NASA Astrophysics Data System (ADS)

Yao, Qi; Li, Chenying; Huang, Henghui; Chen, Hualin; Liu, Bailing

2017-09-01

A series of carboxyl-terminated hyperbranched oligomer polyester (HBP) with different degree of branching (DB) and number average molar mass (Mbarn) have been prepared. The molecular structure, degree of branching, molecular mass and its distribution of HBP were investigated by FTIR, 1H NMR, and GPC, respectively. And the coordination number, stability constant and degree of dissociation (α) between HBP and chromium(Ⅲ) were measured via continuous variation method (Job's plot). Experimental results show that the coordination capability between HBP and chromium(Ⅲ) affected by both DB and molecular mass, and the latter plays a decisive role. Moreover HBP outperforms low molecular weight of organic acids (citric acid, acetic acid) and linear polyacrylic acid with similar molecular mass. The coordination number and stability constants of HBP-3 (Mbarn = 1713 Da, Mbarw /Mbarn (PDI) = 1.11 and DB = 0.72) can reach 4 and 6.55e+008, which demonstrated it can be selected as a good ligand to coordination with chromium(Ⅲ). Therefore HBP can be used as chrome auxiliary in chrome tanning to improve the absorption of chromium.

Activation of caspase-1 by the NLRP3 inflammasome regulates the NADPH oxidase NOX2 to control phagosome function

PubMed Central

Sokolovska, Anna; Becker, Christine E.; Eddie Ip, WK; Rathinam, Vijay A.K.; Brudner, Matthew; Paquette, Nicholas; Tanne, Antoine; Vanaja, Sivapriya K.; Moore, Kathryn J.; Fitzgerald, Katherine A.; Lacy-Hulbert, Adam; Stuart, Lynda M.

2013-01-01

Phagocytosis is a fundamental cellular process that is pivotal for immunity as it coordinates microbial killing, innate immune activation and antigen presentation. An essential step in this process is phagosome acidification, which regulates a number of functions of these organelles that allow them to participate in processes essential to both innate and adaptive immunity. Here we report that acidification of phagosomes containing Gram-positive bacteria is regulated by the NLRP3-inflammasome and caspase-1. Active caspase-1 accumulates on phagosomes and acts locally to control the pH by modulating buffering by the NADPH oxidase NOX2. These data provide insight into a mechanism by which innate immune signals can modify cellular defenses and establish a new function for the NLRP3-inflammasome and caspase-1 in host defense. PMID:23644505

Remote site-selective C-H activation directed by a catalytic bifunctional template

NASA Astrophysics Data System (ADS)

Zhang, Zhipeng; Tanaka, Keita; Yu, Jin-Quan

2017-03-01

In chemical syntheses, the activation of carbon-hydrogen (C-H) bonds converts them directly into carbon-carbon or carbon-heteroatom bonds without requiring any prior functionalization. C-H activation can thus substantially reduce the number of steps involved in a synthesis. A single specific C-H bond in a substrate can be activated by using a ‘directing’ (usually a functional) group to obtain the desired product selectively. The applicability of such a C-H activation reaction can be severely curtailed by the distance of the C-H bond in question from the directing group, and by the shape of the substrate, but several approaches have been developed to overcome these limitations. In one such approach, an understanding of the distal and geometric relationships between the functional groups and C-H bonds of a substrate has been exploited to achieve meta-selective C-H activation by using a covalently attached, U-shaped template. However, stoichiometric installation of this template has not been feasible in the absence of an appropriate functional group on which to attach it. Here we report the design of a catalytic, bifunctional nitrile template that binds a heterocyclic substrate via a reversible coordination instead of a covalent linkage. The two metal centres coordinated to this template have different roles: one reversibly anchors substrates near the catalyst, and the other cleaves remote C-H bonds. Using this strategy, we demonstrate remote, site-selective C-H olefination of heterocyclic substrates that do not have the necessary functional groups for covalently attaching templates.

Remote site-selective C-H activation directed by a catalytic bifunctional template.

PubMed

Zhang, Zhipeng; Tanaka, Keita; Yu, Jin-Quan

2017-03-23

In chemical syntheses, the activation of carbon-hydrogen (C-H) bonds converts them directly into carbon-carbon or carbon-heteroatom bonds without requiring any prior functionalization. C-H activation can thus substantially reduce the number of steps involved in a synthesis. A single specific C-H bond in a substrate can be activated by using a 'directing' (usually a functional) group to obtain the desired product selectively. The applicability of such a C-H activation reaction can be severely curtailed by the distance of the C-H bond in question from the directing group, and by the shape of the substrate, but several approaches have been developed to overcome these limitations. In one such approach, an understanding of the distal and geometric relationships between the functional groups and C-H bonds of a substrate has been exploited to achieve meta-selective C-H activation by using a covalently attached, U-shaped template. However, stoichiometric installation of this template has not been feasible in the absence of an appropriate functional group on which to attach it. Here we report the design of a catalytic, bifunctional nitrile template that binds a heterocyclic substrate via a reversible coordination instead of a covalent linkage. The two metal centres coordinated to this template have different roles: one reversibly anchors substrates near the catalyst, and the other cleaves remote C-H bonds. Using this strategy, we demonstrate remote, site-selective C-H olefination of heterocyclic substrates that do not have the necessary functional groups for covalently attaching templates.

Students' Challenges with Polar Functions: Covariational Reasoning and Plotting in the Polar Coordinate System

ERIC Educational Resources Information Center

Habre, Samer

2017-01-01

Covariational reasoning has been the focus of many studies but only a few looked into this reasoning in the polar coordinate system. In fact, research on student's familiarity with polar coordinates and graphing in the polar coordinate system is scarce. This paper examines the challenges that students face when plotting polar curves using the…

The yin and yang of sleep and attention

PubMed Central

Kirszenblat, Leonie; van Swinderen, Bruno

2015-01-01

Sleep is not a single state, but a complex set of brain processes that supports a number of physiological needs. Sleep deprivation is known to affect attention in many animals, suggesting that a key function of sleep is to regulate attention. Conversely, tasks that require more attention drive sleep need and sleep intensity. Attention involves the ability to filter incoming stimuli based on their relative salience, and this is likely to require coordinated synaptic activity across the brain. This capacity may have only become possible with the evolution of related neural mechanisms that support two key sleep functions: stimulus suppression and synaptic plasticity. We argue here that sleep and attention may have co-evolved as brain states that regulate each other. PMID:26602764

A General Model of Sensitized Luminescence in Lanthanide-Based Coordination Polymers and Metal-Organic Framework Materials.

PubMed

Einkauf, Jeffrey D; Clark, Jessica M; Paulive, Alec; Tanner, Garrett P; de Lill, Daniel T

2017-05-15

Luminescent lanthanides containing coordination polymers and metal-organic frameworks hold great potential in many applications due to their distinctive spectroscopic properties. While the ability to design coordination polymers for specific functions is often mentioned as a major benefit bestowed on these compounds, the lack of a meaningful understanding of the luminescence in lanthanide coordination polymers remains a significant challenge toward functional design. Currently, the study of these compounds is based on the antenna effect as derived from molecular systems, where organic antennae are used to facilitate lanthanide-centered luminescence. This molecular-based approach does not take into account the unique features of extended network solids, particularly the formation of band structure. While guidelines for the antenna effect are well established, they require modification before being applied to coordination polymers. A series of nine coordination polymers with varying topologies and organic linkers were studied to investigate the accuracy of the antenna effect in coordination polymer systems. By comparing a molecular-based approach to a band-based one, it was determined that the band structure that occurs in aggregated organic solids needs to be considered when evaluating the luminescence of lanthanide coordination polymers.

Coordinating, Scheduling, Processing and Analyzing IYA09

NASA Technical Reports Server (NTRS)

Gipson, John; Behrend, Dirk; Gordon, David; Himwich, Ed; MacMillan, Dan; Titus, Mike; Corey, Brian

2010-01-01

The IVS scheduled a special astrometric VLBI session for the International Year of Astronomy 2009 (IYA09) commemorating 400 years of optical astronomy and 40 years of VLBI. The IYA09 session is the most ambitious geodetic session to date in terms of network size, number of sources, and number of observations. We describe the process of designing, coordinating, scheduling, pre-session station checkout, correlating, and analyzing this session.

75 FR 82405 - Statement of Organization, Functions, and Delegations of Authority

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-30

... and Regulatory Affairs, to reflect the establishment of a new Federal Coordinated Health Care Office... Health Care Office (FCQ).'' (3) Under Part F, CMS, FC. 20 Functions, change the title of the Office of... Center for Medicare and Medicaid Innovation (FCP): Federal Coordinated Health Care Office (FCQ) Manages...

Scientific basis for learning transfer from movements to urinary bladder functions for bladder repair in human patients with CNS injury.

PubMed

Schalow, G

2010-01-01

Coordination Dynamics Therapy (CDT) has been shown to be able to partly repair CNS injury. The repair is based on a movement-based re-learning theory which requires at least three levels of description: the movement or pattern (and anamnesis) level, the collective variable level, and the neuron level. Upon CDT not only the actually performed movement pattern itself is repaired, but the entire dynamics of CNS organization is improved, which is the theoretical basis for (re-) learning transfer. The transfer of learning for repair from jumping on springboard and exercising on a special CDT and recording device to urinary bladder functions is investigated at the neuron level. At the movement or pattern level, the improvement of central nervous system (CNS) functioning in human patients can be seen (or partly measured) by the improvement of the performance of the pattern. At the collective variable level, coordination tendencies can be measured by the so-called 'coordination dynamics' before, during and after treatment. At the neuron level, re-learning can additionally be assessed by surface electromyography (sEMG) as alterations of single motor unit firings and motor programs. But to express the ongoing interaction between the numerous neural, muscular, and metabolic elements involved in perception and action, it is relevant to inquire how the individual afferent and efferent neurons adjust their phase and frequency coordination to other neurons to satisfy learning task requirements. With the single-nerve fibre action potential recording method it was possible to measure that distributed single neurons communicate by phase and frequency coordination. It is shown that this timed firing of neurons is getting impaired upon injury and has to be improved by learning The stability of phase and frequency coordination among afferent and efferent neuron firings can be related to pattern stability. The stability of phase and frequency coordination at the neuron level can therefore be assessed integratively at the (non-invasive) collective variable level by the arrhythmicity of turning (coordination dynamics) when a patient is exercising on a special CDT device. Upon jumping on springboard and exercising on the special CDT device, the intertwined neuronal networks, subserving movements (somatic) and urinary bladder functions (autonomic and somatic) in the sacral spinal cord, are synchronously activated and entrained to give rise to learning transfer from movements to bladder functions. Jumping on springboard and other movements primarily repair the pattern dynamics, whereas the exactly coordinated performed movements, performed on the special CDT device for turning, primarily improve the preciseness of the timed firing of neurons. The synchronous learning of perceptuomotor and perceptuobladder functioning from a dynamical perspective (giving rise to learning transfer) can be understood at the neuron level. Especially the activated phase and frequency coordination upon natural stimulation under physiologic and pathophysiologic conditions among a and gamma-motoneurons, muscle spindle afferents, touch and pain afferents, and urinary bladder stretch and tension receptor afferents in the human sacral spinal cord make understandable that somatic and parasympathetic functions are integrated in their functioning and give rise to learning transfer from movements to bladder functions. The power of this human treatment research project lies in the unit of theory, diagnostic/measurement, and praxis, namely that CNS injury can partly be repaired, including urinary bladder functions, and the repair can partly be understood even at the neuron level of description in human.

Roles of the Declive, Folium, and Tuber Cerebellar Vermian Lobules in Sportspeople

PubMed Central

Park, In Sung; Lee, Nam Joon

2018-01-01

The cerebellum plays vital roles in balance control and motor learning, including in saccadic adaptation and coordination. It consists of the vermis and two hemispheres and is anatomically separated into ten lobules that are designated as I–X. Although neuroimaging and clinical studies suggest that functions are compartmentalized within the cerebellum, the function of each cerebellar lobule is not fully understood. Electrophysiological and lesion studies in animals as well as neuroimaging and lesion studies in humans have revealed that vermian lobules VI and VII (declive, folium, and tuber) are critical for controlling postural balance, saccadic eye movements, and coordination. In addition, recent structural magnetic resonance imaging studies have revealed that these lobules are larger in elite basketball and short-track speed skaters. Furthermore, in female short-track speed skaters, the volume of this region is significantly correlated with static balance. This article reviews the function of vermian lobules VI and VII, focusing on the control of balance, eye movements, and coordination including coordination between the eyes and hands and bimanual coordination. PMID:29141275

Functional coordination of muscles underlying changes in behavioural dynamics.

PubMed

Vernooij, Carlijn A; Rao, Guillaume; Perdikis, Dionysios; Huys, Raoul; Jirsa, Viktor K; Temprado, Jean-Jacques

2016-06-10

The dynamical systems approach addresses Bernstein's degrees of freedom problem by assuming that the neuro-musculo-skeletal system transiently assembles and dismantles its components into functional units (or synergies) to meet task demands. Strikingly, little is known from a dynamical point of view about the functioning of the muscular sub-system in this process. To investigate the interaction between the dynamical organisation at muscular and behavioural levels, we searched for specific signatures of a phase transition in muscular coordination when a transition is displayed at the behavioural level. Our results provide evidence that, during Fitts' task when behaviour switches to a different dynamical regime, muscular activation displays typical signatures of a phase transition; a reorganisation in muscular coordination patterns accompanied by a peak in the variability of muscle activation. This suggests that consistent changes occur in coordination processes across the different levels of description (i.e., behaviour and muscles). Specifically, in Fitts' task, target size acts as a control parameter that induces a destabilisation and a reorganisation of coordination patterns at different levels of the neuro-musculo-skeletal system.

Effect of Sb content on the physical properties of Ge-Se-Te chalcogenide glasses

NASA Astrophysics Data System (ADS)

Vashist, Priyanka; Anjali, Patial, Balbir Singh; Thakur, Nagesh

2018-05-01

In the present study, the bulk as-(Se80Te20)94-xGe6Sbx (x = 0, 1, 2, 4, 6, 8) glasses were synthesized using melt quenching technique. The physical properties viz coordination number, lone pair of electrons, number of constraints, glass transition temperature, mean bond energy, cohesive energy, electro-negativity and average heat of atomization of the investigated composition are reported and discussed. It is inferred that on increasing Sb content; average coordination number, average number of constraints, mean bond energy, cohesive energy and glass transition temperature increases but lone pair of electrons, average heat of atomization and deviation of stoichiometry decreases.

Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, Yajing; Bai, Dongjie; Feng, Yunlong

Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg{sup 2+}, Ca{sup 2+} and Ba{sup 2+}) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO){sub 4}, which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (4{sup 4}·6{sup 2}){sub 3}(4{sup 9}·6{sup 6}){sub 2}. The calcium compound consists of 1D infinite “Ca-O” inorganic chains connected by the deprotonated ligands to from a 3Dmore » framework. The barium compound exhibits a 3D framework in which 1D “Ba-O” inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions’ influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies. - Graphical abstract: Three alkaline earth-based coordination polymers were constructed from a semirigid cyclotriphosphazene-functionalized hexacarboxylate exhibiting different inorganic nodes as well as distinct ligand conformations relying on the metal ions, which presents the first example of such a ligand incorporated into alkaline earth–based coordination polymers. - Highlights: • Three alkaline earth-based coordination polymers were synthesized. • The three compounds exhibit different inorganic nodes and ligand conformations. • The three compounds are photoluminscent in the solid state.« less

Threat Assessment Teams: A Model for Coordinating the Institutional Response and Reducing Legal Liability when College Students Threaten Suicide

ERIC Educational Resources Information Center

Penven, James C.; Janosik, Steven M.

2012-01-01

Increasing numbers of college students with mental health issues are enrolling in college. If these students threaten suicide they present serious legal issues for college officials. Lack of communication and coordination of a response to these students exacerbates the issue. Threat assessment teams can serve as mechanisms to coordinate the…

Does the Coordination of Verbal and Motor Information Explain the Development of Counting in Children?

ERIC Educational Resources Information Center

Camos, Valerie; Barrouillet, Pierre; Fayol, Michel

2001-01-01

Tested in three experiments hypothesis that coordinating saying number-words and pointing to each object to count requires use of the central executive and that cost of coordination decreases with age. Found that for 5- and 9-year-olds and adults, manipulating difficulty of each component affected counting performance but did not make coordination…

Global Statistics of Bolides in the Terrestrial Atmosphere

NASA Astrophysics Data System (ADS)

Chernogor, L. F.; Shevelyov, M. B.

2017-06-01

Purpose: Evaluation and analysis of distribution of the number of meteoroid (mini asteroid) falls as a function of glow energy, velocity, the region of maximum glow altitude, and geographic coordinates. Design/methodology/approach: The satellite database on the glow of 693 mini asteroids, which were decelerated in the terrestrial atmosphere, has been used for evaluating basic meteoroid statistics. Findings: A rapid decrease in the number of asteroids with increasing of their glow energy is confirmed. The average speed of the celestial bodies is equal to about 17.9 km/s. The altitude of maximum glow most often equals to 30-40 km. The distribution law for a number of meteoroids entering the terrestrial atmosphere in longitude and latitude (after excluding the component in latitudinal dependence due to the geometry) is approximately uniform. Conclusions: Using a large enough database of measurements, the meteoroid (mini asteroid) statistics has been evaluated.

Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miliordos, Evangelos; Xantheas, Sotiris S.

We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson’s GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding numbermore » using double differentiation in Cartesian coordinates. For molecules of C 1 symmetry the computational savings in the energy calculations amount to 36N – 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. Finally, in all cases the frequencies based on internal coordinates differ on average by <1 cm –1 from those obtained from Cartesian coordinates.« less

Generalized spherical and simplicial coordinates

NASA Astrophysics Data System (ADS)

Richter, Wolf-Dieter

2007-12-01

Elementary trigonometric quantities are defined in l2,p analogously to that in l2,2, the sine and cosine functions are generalized for each p>0 as functions sinp and cosp such that they satisfy the basic equation cosp([phi])p+sinp([phi])p=1. The p-generalized radius coordinate of a point [xi][set membership, variant]Rn is defined for each p>0 as . On combining these quantities, ln,p-spherical coordinates are defined. It is shown that these coordinates are nearly related to ln,p-simplicial coordinates. The Jacobians of these generalized coordinate transformations are derived. Applications and interpretations from analysis deal especially with the definition of a generalized surface content on ln,p-spheres which is nearly related to a modified co-area formula and an extension of Cavalieri's and Torricelli's indivisibeln method, and with differential equations. Applications from probability theory deal especially with a geometric interpretation of the uniform probability distribution on the ln,p-sphere and with the derivation of certain generalized statistical distributions.

Telehealth coordinators in hospital based telehealth services: Who are they and what do they do?

PubMed

Edirippulige, Sisira; Armfield, Nigel R; Greenup, Phil; Bryett, Andrew

2016-12-01

Many studies have identified the importance of 'telehealth coordinators' for successful telehealth implementation and operation. However, little is known about the telehealth coordinators' functions, the skills and competencies required and the reasons for their influence. This study aimed to examine the key functions of telehealth coordinators in the Queensland public health system, their perceptions about their role, and the level of competencies to support this role. All telehealth coordinators within Queensland Health Telehealth Services were invited to complete a questionnaire. We collected: (i) demographic information; (ii) details of their telehealth work; and (iii) information about knowledge and skills relevant to their telehealth coordinator role. Eighteen of 20 (90%) participants completed and submitted the survey. Telehealth coordinators were responsible for a range of tasks relating to telehealth consultations, technical assistance, administration, research, promotion and marketing. Nearly all telehealth coordinators (n = 17, 94%) were confident in carrying out the tasks of their job. The majority of telehealth coordinators (n = 13, 72%) thought education and training relating to telehealth would help improve their job. The top three topics that telehealth coordinators were keen to learn about were: (i) examples of clinical use of telehealth; (ii) types of technologies used; and (iii) telehealth clinical and business models. Our participants were all hospital-based; as the use of telehealth is growing outside of the traditional hospital settings, the role of telehealth coordinators is likely to change. © The Author(s) 2016.

A Prospective Cohort Study of the Impact of Return-to-Work Coordinators in Getting Injured Workers Back on the Job.

PubMed

Lane, Tyler J; Lilley, Rebbecca; Hogg-Johnson, Sheilah; LaMontagne, Anthony D; Sim, Malcolm R; Smith, Peter M

2018-06-01

Purpose To assess the impact of workplace-based return-to-work (RTW) Coordinators' interpersonal and functional activities on RTW outcomes. Methods Multivariable logistic regression analyses of cross-sectional and longitudinal survey responses of 632 injured workers with at least 10 days of work absence in Victoria, Australia, adjusting for demographic and other workplace factors. Outcome was being back at work for at least 1 month, measured at both baseline and 6 month follow-up survey. Participant responses to stressfulness of Coordinator interactions were dichotomised into good and poor and evaluated as a proxy for Coordinators' interpersonal activities, while having a RTW plan was evaluated as a proxy for functional activities. Results At baseline, RTW plans doubled the odds of RTW (OR 2.02; 95% CI 1.40-2.90) and attenuated the impact of good Coordinator interactions (1.14; 0.77-1.70). At 6-month follow-up, the opposite was observed: good interactions nearly doubled odds of RTW (1.90; 1.22-2.95) while RTW plans were non-significant (1.02; 0.68-1.54). Conclusions Differences between when the two Coordinator activities were effective may be due to the nature of claimants who RTW in each survey period. Length of shorter-duration claims are influenced by injury related factors, while psychosocial factors tend to be more important for longer-duration claims. Such factors may determine whether a claimant is more likely to respond to Coordinators' functional or interpersonal activities. The findings have important implications for increasing Coordinator effectiveness.

A coordination theory for intelligent machines

NASA Technical Reports Server (NTRS)

Wang, Fei-Yue; Saridis, George N.

1990-01-01

A formal model for the coordination level of intelligent machines is established. The framework of the coordination level investigated consists of one dispatcher and a number of coordinators. The model called coordination structure has been used to describe analytically the information structure and information flow for the coordination activities in the coordination level. Specifically, the coordination structure offers a formalism to (1) describe the task translation of the dispatcher and coordinators; (2) represent the individual process within the dispatcher and coordinators; (3) specify the cooperation and connection among the dispatcher and coordinators; (4) perform the process analysis and evaluation; and (5) provide a control and communication mechanism for the real-time monitor or simulation of the coordination process. A simple procedure for the task scheduling in the coordination structure is presented. The task translation is achieved by a stochastic learning algorithm. The learning process is measured with entropy and its convergence is guaranteed. Finally, a case study of the coordination structure with three coordinators and one dispatcher for a simple intelligent manipulator system illustrates the proposed model and the simulation of the task processes performed on the model verifies the soundness of the theory.

Comparison of methods for developing the dynamics of rigid-body systems

NASA Technical Reports Server (NTRS)

Ju, M. S.; Mansour, J. M.

1989-01-01

Several approaches for developing the equations of motion for a three-degree-of-freedom PUMA robot were compared on the basis of computational efficiency (i.e., the number of additions, subtractions, multiplications, and divisions). Of particular interest was the investigation of the use of computer algebra as a tool for developing the equations of motion. Three approaches were implemented algebraically: Lagrange's method, Kane's method, and Wittenburg's method. Each formulation was developed in absolute and relative coordinates. These six cases were compared to each other and to a recursive numerical formulation. The results showed that all of the formulations implemented algebraically required fewer calculations than the recursive numerical algorithm. The algebraic formulations required fewer calculations in absolute coordinates than in relative coordinates. Each of the algebraic formulations could be simplified, using patterns from Kane's method, to yield the same number of calculations in a given coordinate system.

Solvent-coordinate free-energy landscape view of water-mediated ion-pair dissociation

NASA Astrophysics Data System (ADS)

Yonetani, Yoshiteru

2017-12-01

Water-mediated ion-pair dissociation is studied by molecular dynamics simulations of NaCl in water. Multidimensional free-energy analysis clarifies the relation between two essential solvent coordinates: the water coordination number and water-bridge formation. These two are related in a complex way. Both are necessary to describe ion-pair dissociation. The mechanism constructed with both solvent variables clearly shows the individual roles. The water coordination number is critical for starting ion-pair dissociation. Water-bridge formation is also important because it increases the likelihood of ion-pair dissociation by reducing the dissociation free-energy barrier. Additional Ca-Cl and NH4-Cl calculations show that these conclusions are unaffected by changes in the ion charge and shape. The present results will contribute to future explorations of many other molecular events such as surface water exchange and protein-ligand dissociation because the same mechanism is involved in such events.

Activity of transplant coordination in Uruguay.

PubMed

Mizraji, R; Pérez, S; Alvarez, I

2007-03-01

The purpose of this study was to analyze the evolution of donation and organ transplantation in Uruguay, after the initiation of a program of transplant coordination, which began in 2000. The total number of effective donors increased from 28.7 per million people (pmp) in 2000 to 48.1 pmp in 2005, which constituted an increase of 75%. The number of real donors also increased from 10 pmp in 2000 to 20.6 pmp in 2005, more than a 100% increase, with a cadaveric renal transplantation rate of 36 pmp (2005). The conversion of effective to real donors (RD/ED) increased from 0.125 to 0.42. Familial refusal decreased from 62.1% in 2000 to 19% in 2005, which constituted a decrease of 70%. We concluded that implementation of transplant coordinators and involvement of intensive care medical doctors in coordination have had a strong impact on these results.

Grid adaption based on modified anisotropic diffusion equations formulated in the parametic domain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hagmeijer, R.

1994-11-01

A new grid-adaption algorithm for problems in computational fluid dynamics is presented. The basic equations are derived from a variational problem formulated in the parametric domain of the mapping that defines the existing grid. Modification of the basic equations provides desirable properties in boundary layers. The resulting modified anisotropic diffusion equations are solved for the computational coordinates as functions of the parametric coordinates and these functions are numerically inverted. Numerical examples show that the algorithm is robust, that shocks and boundary layers are well-resolved on the adapted grid, and that the flow solution becomes a globally smooth function of themore » computational coordinates.« less

Kinesins and Myosins: Molecular Motors that Coordinate Cellular Functions in Plants.

PubMed

Nebenführ, Andreas; Dixit, Ram

2018-04-29

Kinesins and myosins are motor proteins that can move actively along microtubules and actin filaments, respectively. Plants have evolved a unique set of motors that function as regulators and organizers of the cytoskeleton and as drivers of long-distance transport of various cellular components. Recent progress has established the full complement of motors encoded in plant genomes and has revealed valuable insights into the cellular functions of many kinesin and myosin isoforms. Interestingly, several of the motors were found to functionally connect the two cytoskeletal systems and thereby to coordinate their activities. In this review, we discuss the available genetic, cell biological, and biochemical data for each of the plant kinesin and myosin families from the context of their subcellular mechanism of action as well as their physiological function in the whole plant. We particularly emphasize work that illustrates mechanisms by which kinesins and myosins coordinate the activities of the cytoskeletal system.

Ultra-Compact Transputer-Based Controller for High-Level, Multi-Axis Coordination

NASA Technical Reports Server (NTRS)

Zenowich, Brian; Crowell, Adam; Townsend, William T.

2013-01-01

The design of machines that rely on arrays of servomotors such as robotic arms, orbital platforms, and combinations of both, imposes a heavy computational burden to coordinate their actions to perform coherent tasks. For example, the robotic equivalent of a person tracing a straight line in space requires enormously complex kinematics calculations, and complexity increases with the number of servo nodes. A new high-level architecture for coordinated servo-machine control enables a practical, distributed transputer alternative to conventional central processor electronics. The solution is inherently scalable, dramatically reduces bulkiness and number of conductor runs throughout the machine, requires only a fraction of the power, and is designed for cooling in a vacuum.

A new method to real-normalize measured complex modes

NASA Technical Reports Server (NTRS)

Wei, Max L.; Allemang, Randall J.; Zhang, Qiang; Brown, David L.

1987-01-01

A time domain subspace iteration technique is presented to compute a set of normal modes from the measured complex modes. By using the proposed method, a large number of physical coordinates are reduced to a smaller number of model or principal coordinates. Subspace free decay time responses are computed using properly scaled complex modal vectors. Companion matrix for the general case of nonproportional damping is then derived in the selected vector subspace. Subspace normal modes are obtained through eigenvalue solution of the (M sub N) sup -1 (K sub N) matrix and transformed back to the physical coordinates to get a set of normal modes. A numerical example is presented to demonstrate the outlined theory.

Lunar rovers and local positioning system

NASA Astrophysics Data System (ADS)

Avery, James; Su, Renjeng

1991-11-01

Telerobotic rovers equipped with adequate actuators and sensors are clearly necessary for extraterrestrial construction. They will be employed as substitutes for humans, to perform jobs like surveying, sensing, signaling, manipulating, and the handling of small materials. Important design criteria for these rovers include versatility and robustness. They must be easily programmed and reprogrammed to perform a wide variety of different functions, and they must be robust so that construction work will not be jeopardized by parts failures. The key qualities and functions necessary for these rovers to achieve the required versatility and robustness are modularity, redundancy, and coordination. Three robotic rovers are being built by CSC as a test bed to implement the concepts of modularity and coordination. The specific goal of the design and construction of these robots is to demonstrate the software modularity and multirobot control algorithms required for the physical manipulation of constructible elements. Each rover consists of a transporter platform, bus manager, simple manipulator, and positioning receivers. These robots will be controlled from a central control console via a radio-frequency local area network (LAN). To date, one prototype transporter platform frame was built with batteries, motors, a prototype single-motor controller, and two prototype internal LAN boards. Software modules were developed in C language for monitor functions, i/o, and parallel port usage in each computer board. Also completed are the fabrication of half of the required number of computer boards, the procurement of 19.2 Kbaud RF modems for inter-robot communications, and the simulation of processing requirements for positioning receivers. In addition to the robotic platform, the fabrication of a local positioning system based on infrared signals is nearly completed. This positioning system will make the rovers into a moving reference system capable of performing site surveys. In addition, a four degree mechanical manipulator especially suited for coordinated teleoperation was conceptually designed and is currently being analyzed. This manipulator will be integrated into the rovers as their end effector. Twenty internal LAN cards fabricated by a commercial firm are being used, a prototype manipulator and a range finder for a positioning system were built, a prototype two-motor controller was designed, and one of the robots is performing its first telerobotic motion. In addition, the robots' internal LAN's were coordinated and tested, hardware design upgrades based on fabrication and fit experience were completed, and the positioning system is running.

Lunar rovers and local positioning system

NASA Technical Reports Server (NTRS)

Avery, James; Su, Renjeng

1991-01-01

Telerobotic rovers equipped with adequate actuators and sensors are clearly necessary for extraterrestrial construction. They will be employed as substitutes for humans, to perform jobs like surveying, sensing, signaling, manipulating, and the handling of small materials. Important design criteria for these rovers include versatility and robustness. They must be easily programmed and reprogrammed to perform a wide variety of different functions, and they must be robust so that construction work will not be jeopardized by parts failures. The key qualities and functions necessary for these rovers to achieve the required versatility and robustness are modularity, redundancy, and coordination. Three robotic rovers are being built by CSC as a test bed to implement the concepts of modularity and coordination. The specific goal of the design and construction of these robots is to demonstrate the software modularity and multirobot control algorithms required for the physical manipulation of constructible elements. Each rover consists of a transporter platform, bus manager, simple manipulator, and positioning receivers. These robots will be controlled from a central control console via a radio-frequency local area network (LAN). To date, one prototype transporter platform frame was built with batteries, motors, a prototype single-motor controller, and two prototype internal LAN boards. Software modules were developed in C language for monitor functions, i/o, and parallel port usage in each computer board. Also completed are the fabrication of half of the required number of computer boards, the procurement of 19.2 Kbaud RF modems for inter-robot communications, and the simulation of processing requirements for positioning receivers. In addition to the robotic platform, the fabrication of a local positioning system based on infrared signals is nearly completed. This positioning system will make the rovers into a moving reference system capable of performing site surveys. In addition, a four degree mechanical manipulator especially suited for coordinated teleoperation was conceptually designed and is currently being analyzed. This manipulator will be integrated into the rovers as their end effector. Twenty internal LAN cards fabricated by a commercial firm are being used, a prototype manipulator and a range finder for a positioning system were built, a prototype two-motor controller was designed, and one of the robots is performing its first telerobotic motion. In addition, the robots' internal LAN's were coordinated and tested, hardware design upgrades based on fabrication and fit experience were completed, and the positioning system is running. The rover system is able to perform simple tasks such as sensing and signaling; coordination systems which allow construction tasks to begin were established, and soon coordinated teams of robots in the laboratory will be able to manipulate common objects.

Magnetic properties of dendrimer structures with different coordination numbers: A Monte Carlo study

NASA Astrophysics Data System (ADS)

Masrour, R.; Jabar, A.

2016-11-01

We investigate the magnetic properties of Cayley trees of large molecules with dendrimer structure using Monte Carlo simulations. The thermal magnetization and magnetic susceptibility of a dendrimer structure are given with different coordination numbers, Z=3, 4, 5 and different generations g=3 and 2. The variation of magnetizations with the exchange interactions and crystal fields have been given of this system. The magnetic hysteresis cycles have been established.

Artillery Engagement Simulation

DTIC Science & Technology

1980-05-01

coordinate* of the burst point to 10 meter accuracy (4 digit number). 7. Press R/S. Calculator will run for approximately one second and display the...northing coordinate* of the burst point to 10 meter accuracy (4 digit number). 8. If it is not desired to send azimuth and distance instructions to the...Now Delhi 1 USA Agey for Aviation Safety, Ft Rucker. ATTN: Educ Advisor I Pars Rsch Ofc, Libary , AKA. Israel Defense Forces I USA Aviation Sch. Ft

The Near Wake of Bluff Bodies in Stratified Fluids and the Emergence of Late Wake Characteristics

DTIC Science & Technology

2010-10-29

including suggestions for reducing this burden to Department of Defense. Washington Headquarters Services, Directorate for Information Operations and...represents the orthnormal coordinate vectors in a Cartesian coordinate system , u = i^ei is the velocity vector field, P is pressure, p is the density, and... different characteristics depending upon the Reynolds number, the Froude number, and possibly the diffusivity [22] of the flow. In turn, the

Electronic palliative care coordination systems: Devising and testing a methodology for evaluating documentation

PubMed Central

Allsop, Matthew J; Kite, Suzanne; McDermott, Sarah; Penn, Naomi; Millares-Martin, Pablo; Bennett, Michael I

2016-01-01

Background: The need to improve coordination of care at end of life has driven electronic palliative care coordination systems implementation across the United Kingdom and internationally. No approaches for evaluating electronic palliative care coordination systems use in practice have been developed. Aim: This study outlines and applies an evaluation framework for examining how and when electronic documentation of advance care planning is occurring in end of life care services. Design: A pragmatic, formative process evaluation approach was adopted. The evaluation drew on the Project Review and Objective Evaluation methodology to guide the evaluation framework design, focusing on clinical processes. Setting/participants: Data were extracted from electronic palliative care coordination systems for 82 of 108 general practices across a large UK city. All deaths (n = 1229) recorded on electronic palliative care coordination systems between April 2014 and March 2015 were included to determine the proportion of all deaths recorded, median number of days prior to death that key information was recorded and observations about routine data use. Results: The evaluation identified 26.8% of all deaths recorded on electronic palliative care coordination systems. The median number of days to death was calculated for initiation of an electronic palliative care coordination systems record (31 days), recording a patient’s preferred place of death (8 days) and entry of Do Not Attempt Cardiopulmonary Resuscitation decisions (34 days). Where preferred and actual place of death was documented, these were matching for 75% of patients. Anomalies were identified in coding used during data entry on electronic palliative care coordination systems. Conclusion: This study reports the first methodology for evaluating how and when electronic palliative care coordination systems documentation is occurring. It raises questions about what can be drawn from routine data collected through electronic palliative care coordination systems and outlines considerations for future evaluation. Future evaluations should consider work processes of health professionals using electronic palliative care coordination systems. PMID:27507636

Electronic palliative care coordination systems: Devising and testing a methodology for evaluating documentation.

PubMed

Allsop, Matthew J; Kite, Suzanne; McDermott, Sarah; Penn, Naomi; Millares-Martin, Pablo; Bennett, Michael I

2017-05-01

The need to improve coordination of care at end of life has driven electronic palliative care coordination systems implementation across the United Kingdom and internationally. No approaches for evaluating electronic palliative care coordination systems use in practice have been developed. This study outlines and applies an evaluation framework for examining how and when electronic documentation of advance care planning is occurring in end of life care services. A pragmatic, formative process evaluation approach was adopted. The evaluation drew on the Project Review and Objective Evaluation methodology to guide the evaluation framework design, focusing on clinical processes. Data were extracted from electronic palliative care coordination systems for 82 of 108 general practices across a large UK city. All deaths ( n = 1229) recorded on electronic palliative care coordination systems between April 2014 and March 2015 were included to determine the proportion of all deaths recorded, median number of days prior to death that key information was recorded and observations about routine data use. The evaluation identified 26.8% of all deaths recorded on electronic palliative care coordination systems. The median number of days to death was calculated for initiation of an electronic palliative care coordination systems record (31 days), recording a patient's preferred place of death (8 days) and entry of Do Not Attempt Cardiopulmonary Resuscitation decisions (34 days). Where preferred and actual place of death was documented, these were matching for 75% of patients. Anomalies were identified in coding used during data entry on electronic palliative care coordination systems. This study reports the first methodology for evaluating how and when electronic palliative care coordination systems documentation is occurring. It raises questions about what can be drawn from routine data collected through electronic palliative care coordination systems and outlines considerations for future evaluation. Future evaluations should consider work processes of health professionals using electronic palliative care coordination systems.

Combined distribution functions: A powerful tool to identify cation coordination geometries in liquid systems

NASA Astrophysics Data System (ADS)

Sessa, Francesco; D'Angelo, Paola; Migliorati, Valentina

2018-01-01

In this work we have developed an analytical procedure to identify metal ion coordination geometries in liquid media based on the calculation of Combined Distribution Functions (CDFs) starting from Molecular Dynamics (MD) simulations. CDFs provide a fingerprint which can be easily and unambiguously assigned to a reference polyhedron. The CDF analysis has been tested on five systems and has proven to reliably identify the correct geometries of several ion coordination complexes. This tool is simple and general and can be efficiently applied to different MD simulations of liquid systems.

75 FR 49494 - Statement of Organization, Functions, and Delegations of Authority; Office of the National...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-13

... Information Technology (ONC), as last amended at 74 FR 62785- 62786, dated December 1, 2009, is corrected as... the Secretary or by the National Coordinator for Health Information Technology, all delegations and..., Functions, and Delegations of Authority; Office of the National Coordinator for Health and Information...

The Role of Communication in Library Management. Occasional Paper No. 34.

ERIC Educational Resources Information Center

Mwenegoha, Hamza A.

This paper defines and discusses the nature of management; outlines the primary management functions and activities, emphasizing the importance of communication and coordination to successful management; and examines the place of communication as a management function in the library setting. After a discussion of the key role of coordination in…

Transcranial magnetic stimulation over the cerebellum delays predictive head movements in the coordination of gaze.

PubMed

Zangemeister, W H; Nagel, M

2001-01-01

We investigated coordinated saccadic eye and head movements following predictive horizontal visual targets at +/- 30 degrees by applying transcranial magnetic stimulation (TMS) over the cerebellum before the start of the gaze movement in 10 young subjects. We found three effects of TMS on eye-head movements: 1. Saccadic latency effect. When stimulation took place shortly before movements commenced (75-25 ms before), significantly shorter latencies were found between predictive target presentation and initiation of saccades. Eye latencies were significantly decreased by 45 ms on average, but head latencies were not. 2. Gaze amplitude effect. Without TMS, for the 60 degrees target amplitudes, head movements usually preceded eye movements, as expected (predictive gaze type 3). With TMS 5-75 ms before the gaze movement, the number of eye movements preceding head movements by 20-50 ms was significantly increased (p < 0.001) and the delay between eye and head movements was reversed (p < 0.001), i.e. we found eye-predictive gaze type 1. 3. Saccadic peak velocity effect. For TMS 5-25 s before the start of head movement, mean peak velocity of synkinetic eye saccades increased by 20-30% up to 600 degrees/s, compared to 350-400 degrees/s without TMS. We conclude that transient functional cerebellar deficits exerted by means of TMS can change the central synkinesis of eye-head coordination, including the preprogramming of the saccadic pulse and step of a coordinated gaze movement.

Can balance trampoline training promote motor coordination and balance performance in children with developmental coordination disorder?

PubMed

Giagazoglou, Paraskevi; Sidiropoulou, Maria; Mitsiou, Maria; Arabatzi, Fotini; Kellis, Eleftherios

2015-01-01

The present study aimed to examine movement difficulties among typically developing 8- to 9-year-old elementary students in Greece and to investigate the possible effects of a balance training program to those children assessed with Developmental Coordination Disorder (DCD). The Body Coordination Test for Children (BCTC; Körperkoordinationstest fur Kinder, KTK, Kiphard & Schilling, 1974) was chosen for the purposes of this study and 20 children out of the total number of 200, exhibited motor difficulties indicating a probable DCD disorder. The 20 students diagnosed with DCD were equally separated into two groups where each individual of the experimental group was paired with an individual of the control group. The intervention group attended a 12-week balance training program while students of the second - control group followed the regular school schedule. All participants were tested prior to the start and after the end of the 12-week period by performing static balance control tasks while standing on an EPS pressure platform and structured observation of trampoline exercises while videotaping. The results indicated that after a 12-week balance training circuit including a trampoline station program, the intervention group improved both factors that were examined. In conclusion, balance training with the use of attractive equipment such as trampoline can be an effective intervention for improving functional outcomes and can be recommended as an alternative mode of physical activity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Experiences from coordinating research after the 2011 terrorist attacks in Norway

PubMed Central

Refsdal, Nils O.

2014-01-01

This brief report presents some of the lessons learned from coordinating research in which people directly affected by terrorist attacks in Norway in 2011 are taking part. After the terrorist attacks, it was decided to establish a national coordinating function in order to protect those who were affected when they participate in research. By gathering key stakeholders, it is possible to avoid duplication of research through practical measures such as information sharing, facilitating cooperation, and working toward sharing of data. In addition, a coordinating function provides a platform for working to increase the impact of the research among practitioners and policy makers, and inform the general public. The conclusions are that coordination should be interdisciplinary, that it is important to plan for the sharing and reuse of data, and that both the research community and the research infrastructure should take steps to improve preparedness when disaster inevitably strikes again. PMID:25018857

Programmed Cell Death and Caspase Functions During Neural Development.

PubMed

Yamaguchi, Yoshifumi; Miura, Masayuki

2015-01-01

Programmed cell death (PCD) is a fundamental component of nervous system development. PCD serves as the mechanism for quantitative matching of the number of projecting neurons and their target cells through direct competition for neurotrophic factors in the vertebrate peripheral nervous system. In addition, PCD plays roles in regulating neural cell numbers, canceling developmental errors or noise, and tissue remodeling processes. These findings are mainly derived from genetic studies that prevent cells from dying by apoptosis, which is a major form of PCD and is executed by activation of evolutionarily conserved cysteine protease caspases. Recent studies suggest that caspase activation can be coordinated in time and space at multiple levels, which might underlie nonapoptotic roles of caspases in neural development in addition to apoptotic roles. © 2015 Elsevier Inc. All rights reserved.

Correlation of ERTS MSS data and earth coordinate systems

NASA Technical Reports Server (NTRS)

Malila, W. A. (Principal Investigator); Hieber, R. H.; Mccleer, A. P.

1973-01-01

The author has identified the following significant results. Experience has revealed a problem in the analysis and interpretation of ERTS-1 multispectral scanner (MSS) data. The problem is one of accurately correlating ERTS-1 MSS pixels with analysis areas specified on aerial photographs or topographic maps for training recognition computers and/or evaluating recognition results. It is difficult for an analyst to accurately identify which ERTS-1 pixels on a digital image display belong to specific areas and test plots, especially when they are small. A computer-aided procedure to correlate coordinates from topographic maps and/or aerial photographs with ERTS-1 data coordinates has been developed. In the procedure, a map transformation from earth coordinates to ERTS-1 scan line and point numbers is calculated using selected ground control points nad the method of least squares. The map transformation is then applied to the earth coordinates of selected areas to obtain the corresponding ERTS-1 point and line numbers. An optional provision allows moving the boundaries of the plots inward by variable distances so the selected pixels will not overlap adjacent features.

Epigenetic transgenerational inheritance of somatic transcriptomes and epigenetic control regions

PubMed Central

2012-01-01

Background Environmentally induced epigenetic transgenerational inheritance of adult onset disease involves a variety of phenotypic changes, suggesting a general alteration in genome activity. Results Investigation of different tissue transcriptomes in male and female F3 generation vinclozolin versus control lineage rats demonstrated all tissues examined had transgenerational transcriptomes. The microarrays from 11 different tissues were compared with a gene bionetwork analysis. Although each tissue transgenerational transcriptome was unique, common cellular pathways and processes were identified between the tissues. A cluster analysis identified gene modules with coordinated gene expression and each had unique gene networks regulating tissue-specific gene expression and function. A large number of statistically significant over-represented clusters of genes were identified in the genome for both males and females. These gene clusters ranged from 2-5 megabases in size, and a number of them corresponded to the epimutations previously identified in sperm that transmit the epigenetic transgenerational inheritance of disease phenotypes. Conclusions Combined observations demonstrate that all tissues derived from the epigenetically altered germ line develop transgenerational transcriptomes unique to the tissue, but common epigenetic control regions in the genome may coordinately regulate these tissue-specific transcriptomes. This systems biology approach provides insight into the molecular mechanisms involved in the epigenetic transgenerational inheritance of a variety of adult onset disease phenotypes. PMID:23034163

75 FR 65312 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-22

...: Request for Reauthorization and Extension of Existing Blanket Authorization to Acquire Securities under.... Applicants: Western Electricity Coordinating Council. Description: Notice of Proposed Cancellation of Western Electricity Coordinating Council's Reliability Management System. Filed Date: 10/12/2010. Accession Number...

System of Monitoring Potential Deceased Organ Donations in Over 200 Hospitals in Poland Using a Web Tool: Implementation and Structure.

PubMed

Danek, T; Protasiuk, R; Mańkowski, M; Brutkiewicz, A; Trześniewski, R; Podlińska, I; Milecka, A; Jonas, M; Danielewicz, R; Czerwiński, J

2016-06-01

In 2010 the formation of the Polish Hospitals Network of Organ Donation Coordinators, originated by Poltransplant, began. One of the goals of this project is to report all deaths in hospital ICUs in which a coordinator is posted. The aim of this strategy is to monitor donation potential, following the recruitment process of potential donors and indicating stages of that process that may be improved to increase effective recruitment. Until the end of 2014 all data were forwarded to Poltransplant as Excel files, but since January 1, 2015, reporting and data collection have been are performed using web tool www.koordynator.net. The aim of the paper is to present the essentials in functioning principles, structure, and usage of the www.koordynator.net system, its technical construction, and to display good practices (know-how) tested by 1 country, for countries such as Poland, that contend with organ insufficiency. The application www.koordynator.net allows for remote addition of individual records with information about deceased patients in hospital ICUs, the forwarding of data about potential and actual organ donors, the generation of complete reports about deceased patients in each hospital monthly, and the introduction of historical data. Introduction of a potential donation monitoring system in 209 hospitals with transplant coordinators increases the number of identified potential and effective actual donors due to self-assessment analysis. Eventually, the www.koordynator.net reporting system allowed for external evaluation by coordinators from other hospitals, regional coordinators, and Poltransplant. The system is a modern tool that improves and increases the quality system in the organ donation field (quality assurance program). Copyright © 2016 Elsevier Inc. All rights reserved.

12 CFR 1704.29 - Coordinating salary offset with other agencies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 7 2010-01-01 2010-01-01 false Coordinating salary offset with other agencies... HOUSING AND URBAN DEVELOPMENT OFHEO ORGANIZATION AND FUNCTIONS DEBT COLLECTION Salary Offset § 1704.29 Coordinating salary offset with other agencies. (a) Responsibility of OFHEO as the creditor agency. (1) OFHEO...

Robust recognition of handwritten numerals based on dual cooperative network

NASA Technical Reports Server (NTRS)

Lee, Sukhan; Choi, Yeongwoo

1992-01-01

An approach to robust recognition of handwritten numerals using two operating parallel networks is presented. The first network uses inputs in Cartesian coordinates, and the second network uses the same inputs transformed into polar coordinates. How the proposed approach realizes the robustness to local and global variations of input numerals by handling inputs both in Cartesian coordinates and in its transformed Polar coordinates is described. The required network structures and its learning scheme are discussed. Experimental results show that by tracking only a small number of distinctive features for each teaching numeral in each coordinate, the proposed system can provide robust recognition of handwritten numerals.

Focal shift and the axial optical coordinate for high-aperture systems of finite Fresnel number.

PubMed

Sheppard, Colin J R; Török, Peter

2003-11-01

Analytic expressions are given for the on-axis intensity predicted by the Rayleigh-Sommerfeld and Kirchhoff diffraction integrals for a scalar optical system of high numerical aperture and finite value of Fresnel number. A definition of the axial optical coordinate is introduced that is valid for finite values of Fresnel number, for high-aperture systems, and for observation points distant from the focus. The focal shift effect is reexamined. For the case when the focal shift is small, explicit expressions are given for the focal shift and the axial peak in intensity.

Estrogen-Related Receptor α (ERRα) and ERRγ Are Essential Coordinators of Cardiac Metabolism and Function

PubMed Central

Wang, Ting; McDonald, Caitlin; Petrenko, Nataliya B.; Leblanc, Mathias; Wang, Tao; Giguere, Vincent; Evans, Ronald M.; Patel, Vickas V.

2015-01-01

Almost all cellular functions are powered by a continuous energy supply derived from cellular metabolism. However, it is little understood how cellular energy production is coordinated with diverse energy-consuming cellular functions. Here, using the cardiac muscle system, we demonstrate that nuclear receptors estrogen-related receptor α (ERRα) and ERRγ are essential transcriptional coordinators of cardiac energy production and consumption. On the one hand, ERRα and ERRγ together are vital for intact cardiomyocyte metabolism by directly controlling expression of genes important for mitochondrial functions and dynamics. On the other hand, ERRα and ERRγ influence major cardiomyocyte energy consumption functions through direct transcriptional regulation of key contraction, calcium homeostasis, and conduction genes. Mice lacking both ERRα and cardiac ERRγ develop severe bradycardia, lethal cardiomyopathy, and heart failure featuring metabolic, contractile, and conduction dysfunctions. These results illustrate that the ERR transcriptional pathway is essential to couple cellular energy metabolism with energy consumption processes in order to maintain normal cardiac function. PMID:25624346

Reorganization of the human central nervous system.

PubMed

Schalow, G; Zäch, G A

2000-10-01

The key strategies on which the discovery of the functional organization of the central nervous system (CNS) under physiologic and pathophysiologic conditions have been based included (1) our measurements of phase and frequency coordination between the firings of alpha- and gamma-motoneurons and secondary muscle spindle afferents in the human spinal cord, (2) knowledge on CNS reorganization derived upon the improvement of the functions of the lesioned CNS in our patients in the short-term memory and the long-term memory (reorganization), and (3) the dynamic pattern approach for re-learning rhythmic coordinated behavior. The theory of self-organization and pattern formation in nonequilibrium systems is explicitly related to our measurements of the natural firing patterns of sets of identified single neurons in the human spinal premotor network and re-learned coordinated movements following spinal cord and brain lesions. Therapy induced cell proliferation, and maybe, neurogenesis seem to contribute to the host of structural changes during the process of re-learning of the lesioned CNS. So far, coordinated functions like movements could substantially be improved in every of the more than 100 patients with a CNS lesion by applying coordination dynamic therapy. As suggested by the data of our patients on re-learning, the human CNS seems to have a second integrative strategy for learning, re-learning, storing and recalling, which makes an essential contribution of the functional plasticity following a CNS lesion. A method has been developed by us for the simultaneous recording with wire electrodes of extracellular action potentials from single human afferent and efferent nerve fibres of undamaged sacral nerve roots. A classification scheme of the nerve fibres in the human peripheral nervous system (PNS) could be set up in which the individual classes of nerve fibres are characterized by group conduction velocities and group nerve fibre diameters. Natural impulse patterns of several identified single afferent and efferent nerve fibres (motoneuron axons) were extracted from multi-unit impulse patterns, and human CNS functions could be analyzed under physiologic and pathophysiologic conditions. With our discovery of premotor spinal oscillators it became possible to judge upon CNS neuronal network organization based on the firing patterns of these spinal oscillators and their driving afferents. Since motoneurons fire occasionally for low activation and oscillatory for high activation, the coherent organization of subnetworks to generate macroscopic function is very complex and for the time being, may be best described by the theory of coordination dynamics. Since oscillatory firing has also been observed by us in single motor unit firing patterns measured electromyographically, it seems possible to follow up therapeutic intervention in patients with spinal cord and brain lesions not only based on the activity levels and phases of motor programs during locomotion but also based on the physiologic and pathophysiologic firing patterns and recruitment of spinal oscillators. The improvement of the coordination dynamics of the CNS can be partly measured directly by rhythmicity upon the patient performing rhythmic movements coordinated up to milliseconds. Since rhythmic dynamic, coordinated, stereotyped movements are mainly located in the spinal cord and only little supraspinal drive is necessary to initiate, maintain, and terminate them, rhythmic, dynamic, coordinated movements were used in therapy to enforce reorganization of the lesioned CNS by improving the self-organization and relative coordination of spinal oscillators (and their interactions with occasionally firing motoneurons) which became pathologic in their firing following CNS lesion. Paraparetic, tetraparetic spinal cord and brain-lesioned patients re-learned running and other movements by an oscillator formation and coordination dynamic therapy. Our development in neurorehabilitation is in accordance with those of theoretical and computational neurosciences which deal with the self-organization of neuronal networks. In particular, jumping on a springboard 'in-phase' and in 'anti-phase' to re-learn phase relations of oscillator coupling can be understood in the framework of the Haken-Kelso-Bunz coordination dynamic model. By introducing broken symmetry, intention, learning and spasticity in the landscape of the potential function of the integrated CNS activity, the change in self-organization becomes understandable. Movement patterns re-learned by oscillator formation and coordination dynamic therapy evolve from reorganization and regeneration of the lesioned CNS by cooperative and competitive interplay between intrinsic coordination dynamics, extrinsic therapy related inputs with physiologic re-afferent input, including intention, motivation, supervised learning, interpersonal coordination, and genetic constraints including neurogenesis. (ABSTRACT TRUNCATED)

Ultrasonic Attenuation in Normal and Superconducting Indium.

DTIC Science & Technology

1980-05-22

dimension x space coordinate, dislocation displacement dislocation displacement y space coordinate.1z space coordinate x ACKNOWLEDGMENTS The author...The driving force on the dislocation is given by: F=bO (2.7) In general, the dislocation displacement will be a function of three space coordinates...mm diameter, 50 Q impedance coaxial conductors 47 * made of stainless steel and teflon . The cavity button is soldered * directly to the rigid

Coordination of reach-to-grasp kinematics in individuals with childhood-onset dystonia due to hemiplegic cerebral palsy

PubMed Central

Kukke, Sahana N.; Curatalo, Lindsey A.; de Campos, Ana Carolina; Hallett, Mark; Alter, Katharine E.; Damiano, Diane L.

2015-01-01

Functional reaching is impaired in dystonia. Here, we analyze upper extremity kinematics to quantify timing and coordination abnormalities during unimanual reach-to-grasp movements in individuals with childhood-onset unilateral wrist dystonia. Kinematics were measured during movements of both upper limbs in a patient group (n = 11, age = 17.5 ± 5 years), and a typically developing control group (n = 9, age = 16.6 ± 5 years). Hand aperture was computed to study the coordination of reach and grasp. Time-varying joint synergies within one upper limb were calculated using a novel technique based on principal component analysis to study intra-limb coordination. In the non-dominant arm, results indicate reduced coordination between reach and grasp in patients who could not lift the grasped object compared to those who could lift it. Lifters exhibit incoordination in distal upper extremity joints later in the movement and non-lifters lacked coordination throughout the movement and in the whole upper limb. The amount of atypical coordination correlates with dystonia severity in patients. Reduced coordination during movement may reflect deficits in the execution of simultaneous movements, motor planning, or muscle activation. Rehabilitation efforts can focus on particular time points when kinematic patterns deviate abnormally to improve functional reaching in individuals with childhood-onset dystonia. PMID:26208359

Coordination of Reach-to-Grasp Kinematics in Individuals With Childhood-Onset Dystonia Due to Hemiplegic Cerebral Palsy.

PubMed

Kukke, Sahana N; Curatalo, Lindsey A; de Campos, Ana Carolina; Hallett, Mark; Alter, Katharine E; Damiano, Diane L

2016-05-01

Functional reaching is impaired in dystonia. Here, we analyze upper extremity kinematics to quantify timing and coordination abnormalities during unimanual reach-to-grasp movements in individuals with childhood-onset unilateral wrist dystonia. Kinematics were measured during movements of both upper limbs in a patient group ( n = 11, age = 17.5 ±5 years), and a typically developing control group ( n = 9, age = 16.6 ±5 years). Hand aperture was computed to study the coordination of reach and grasp. Time-varying joint synergies within one upper limb were calculated using a novel technique based on principal component analysis to study intra-limb coordination. In the non-dominant arm, results indicate reduced coordination between reach and grasp in patients who could not lift the grasped object compared to those who could lift it. Lifters exhibit incoordination in distal upper extremity joints later in the movement and non-lifters lacked coordination throughout the movement and in the whole upper limb. The amount of atypical coordination correlates with dystonia severity in patients. Reduced coordination during movement may reflect deficits in the execution of simultaneous movements, motor planning, or muscle activation. Rehabilitation efforts can focus on particular time points when kinematic patterns deviate abnormally to improve functional reaching in individuals with childhood-onset dystonia.

Gouy phase for relativistic quantum particles

NASA Astrophysics Data System (ADS)

Ducharme, R.; da Paz, I. G.

2015-08-01

Exact Hermite-Gaussian solutions to the Klein-Gordon equation for particle beams are obtained here that depend on the 4-position of the beam waist. These are Bateman-Hillion solutions that are shown to include Gouy phase and preserve their forms under Lorentz transformations. As the wave function contains two time coordinates, the particle current must be interpreted in a constraint space to reduce the number of independent coordinates. The form of the constraint space is not certain except in the nonrelativistic limit, but a trial form is proposed, enabling the observable properties of the beam to be calculated for future comparison to experiment. These results can be relevant in the theoretical development of singular electron optics since it was shown that the Gouy phase is crucial in this field as well as to investigate a possible Gouy phase effect in Zitterbewegung phenomenon of spin-zero particles. Additionally, the traditional argument that beam solutions belong to a complex shifted spacetime is shown to necessitate a corresponding Born reciprocal shift in 4-momentum space.

Ambulatory elderly patients of primary care physicians: functional, psychosocial and environmental predictors of need for social work care management.

PubMed

Berkman, B; Shearer, S; Simmons, W J; White, M; Robinson, M; Sampson, S; Holmes, W; Allison, D; Thomson, J A

1996-01-01

With increasing numbers of elderly people, and the escalating costs of health care, screening becomes increasingly important for identifying those older people with social health care needs who appear in their primary care physicians' offices. Many people are not aware of available social services. Families with serious social problems are not finding the help they need. The aim of this study was to develop and refine a questionnaire as a screening tool to identify elderly outpatients in primary care settings who are at high risk for psychological, social or environmental needs. This study identified those ten factors at each site which were most indicative that further intervention was needed. There were consistencies among the coordinators across sites in terms of what factors triggered intervention. Activities of Daily Living (ADLs) and Instrumental Activities of Daily Living (IADLs) were more likely to be predictive of the coordinator's intervention than were other factors.

The East Asian Office of Astronomy for Development

NASA Astrophysics Data System (ADS)

de Grijs, Richard; Zhang, Ziping

2015-08-01

At the 2012 General Assembly of the International Astronomical Union (IAU), the Office of Astronomy for Development (OAD) programme announced a number of exciting new partnerships to assist with the IAU's decadal strategic plan (2010-2020). These landmark decisions included establishing a new coordinating centre that aims at using astronomy as a tool for development in East Asia. The agreement covers two important functions. One is known as a Regional Node, which entails the coordination of astronomy-for-development activities in countries within the general geographical region of East Asia (in first instance China, Mongolia and the DPRK, but without placing firm geographical limits on the region). The other is known as a Language Expertise Centre which will deal with all aspects relating to (mainly) the Chinese language and culture. The impact of the latter may obviously spread well beyond the geographical region to other parts of the world. At this next General Assembly, we aim at updating the community of the achievements and aims of the East Asian Office of Astronomy for Development.

IHY Modeling Support at the Community Coordinated Modeling Center

NASA Technical Reports Server (NTRS)

Chulaki, A.; Hesse, Michael; Kuznetsova, Masha; MacNeice, P.; Rastaetter, L.

2005-01-01

The Community Coordinated Modeling Center (CCMC) is a US inter-agency activity aiming at research in support of the generation of advanced space weather models. As one of its main functions, the CCMC provides to researchers the use of space science models, even if they are not model owners themselves. In particular, the CCMC provides to the research community the execution of "runs-onrequest" for specific events of interest to space science researchers. Through this activity and the concurrent development of advanced visualization tools, CCMC provides, to the general science community, unprecedented access to a large number of state-of-the-art research models. CCMC houses models that cover the entire domain from the Sun to the Earth. In this presentation, we will provide an overview of CCMC modeling services that are available to support activities during the International Heliospheric Year. In order to tailor CCMC activities to IHY needs, we will also invite community input into our IHY planning activities.

The C. elegans SoxC protein SEM-2 opposes differentiation factors to promote a proliferative blast cell fate in the postembryonic mesoderm

PubMed Central

Tian, Chenxi; Shi, Herong; Colledge, Clark; Stern, Michael; Waterston, Robert; Liu, Jun

2011-01-01

The proper development of multicellular organisms requires precise regulation and coordination of cell fate specification, cell proliferation and differentiation. Abnormal regulation and coordination of these processes could lead to disease, including cancer. We have examined the function of the sole C. elegans SoxC protein, SEM-2, in the M lineage, which produces the postembryonic mesoderm. We found that SEM-2/SoxC is both necessary and sufficient to promote a proliferating blast cell fate, the sex myoblast fate, over a differentiated striated bodywall muscle fate. A number of factors control the specific expression of sem-2 in the sex myoblast precursors and their descendants. This includes direct control of sem-2 expression by a Hox-PBC complex. The crucial nature of the HOX/PBC factors in directly enhancing expression of this proliferative factor in the C. elegans M lineage suggests a possible more general link between Hox-PBC factors and SoxC proteins in regulating cell proliferation. PMID:21307099

Numerical solution of periodic vortical flows about a thin airfoil

NASA Technical Reports Server (NTRS)

Scott, James R.; Atassi, Hafiz M.

1989-01-01

A numerical method is developed for computing periodic, three-dimensional, vortical flows around isolated airfoils. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Solutions for thin airfoils at zero degrees incidence to the mean flow are presented in this paper. Using an elliptic coordinate transformation, the computational domain is transformed into a rectangle. The Sommerfeld radiation condition is applied to the unsteady pressure on the grid line corresponding to the far field boundary. The results are compared with a Possio solver, and it is shown that for maximum accuracy the grid should depend on both the Mach number and reduced frequency. Finally, in order to assess the range of validity of the classical thin airfoil approximation, results for airfoils with zero thickness are compared with results for airfoils with small thickness.

Coordinated Control of Cross-Flow Turbines

NASA Astrophysics Data System (ADS)

Strom, Benjamin; Brunton, Steven; Polagye, Brian

2016-11-01

Cross-flow turbines, also known as vertical-axis turbines, have several advantages over axial-flow turbines for a number of applications including urban wind power, high-density arrays, and marine or fluvial currents. By controlling the angular velocity applied to the turbine as a function of angular blade position, we have demonstrated a 79 percent increase in cross-flow turbine efficiency over constant-velocity control. This strategy uses the downhill simplex method to optimize control parameter profiles during operation of a model turbine in a recirculating water flume. This optimization method is extended to a set of two turbines, where the blade motions and position of the downstream turbine are optimized to beneficially interact with the coherent structures in the wake of the upstream turbine. This control scheme has the potential to enable high-density arrays of cross-flow turbines to operate at cost-effective efficiency. Turbine wake and force measurements are analyzed for insight into the effect of a coordinated control strategy.

Coordinate responses to alkaline pH stress in budding yeast

PubMed Central

Serra-Cardona, Albert; Canadell, David; Ariño, Joaquín

2015-01-01

Alkalinization of the medium represents a stress condition for the budding yeast Saccharomyces cerevisiae to which this organism responds with profound remodeling of gene expression. This is the result of the modulation of a substantial number of signaling pathways whose participation in the alkaline response has been elucidated within the last ten years. These regulatory inputs involve not only the conserved Rim101/PacC pathway, but also the calcium-activated phosphatase calcineurin, the Wsc1-Pkc1-Slt2 MAP kinase, the Snf1 and PKA kinases and oxidative stress-response pathways. The uptake of many nutrients is perturbed by alkalinization of the environment and, consequently, an impact on phosphate, iron/copper and glucose homeostatic mechanisms can also be observed. The analysis of available data highlights cases in which diverse signaling pathways are integrated in the gene promoter to shape the appropriate response pattern. Thus, the expression of different genes sharing the same signaling network can be coordinated, allowing functional coupling of their gene products. PMID:28357292

APC/C-Cdh1 coordinates neurogenesis and cortical size during development

NASA Astrophysics Data System (ADS)

Delgado-Esteban, Maria; García-Higuera, Irene; Maestre, Carolina; Moreno, Sergio; Almeida, Angeles

2013-12-01

The morphology of the adult brain is the result of a delicate balance between neural progenitor proliferation and the initiation of neurogenesis in the embryonic period. Here we assessed whether the anaphase-promoting complex/cyclosome (APC/C) cofactor, Cdh1—which regulates mitosis exit and G1-phase length in dividing cells—regulates neurogenesis in vivo. We use an embryo-restricted Cdh1 knockout mouse model and show that functional APC/C-Cdh1 ubiquitin ligase activity is required for both terminal differentiation of cortical neurons in vitro and neurogenesis in vivo. Further, genetic ablation of Cdh1 impairs the ability of APC/C to promote neurogenesis by delaying the exit of the progenitor cells from the cell cycle. This causes replicative stress and p53-mediated apoptotic death resulting in decreased number of cortical neurons and cortex size. These results demonstrate that APC/C-Cdh1 coordinates cortical neurogenesis and size, thus posing Cdh1 in the molecular pathogenesis of congenital neurodevelopmental disorders, such as microcephaly.

Theoretical Framework for Integrating Distributed Energy Resources into Distribution Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lian, Jianming; Wu, Di; Kalsi, Karanjit

This paper focuses on developing a novel theoretical framework for effective coordination and control of a large number of distributed energy resources in distribution systems in order to more reliably manage the future U.S. electric power grid under the high penetration of renewable generation. The proposed framework provides a systematic view of the overall structure of the future distribution systems along with the underlying information flow, functional organization, and operational procedures. It is characterized by the features of being open, flexible and interoperable with the potential to support dynamic system configuration. Under the proposed framework, the energy consumption of variousmore » DERs is coordinated and controlled in a hierarchical way by using market-based approaches. The real-time voltage control is simultaneously considered to complement the real power control in order to keep nodal voltages stable within acceptable ranges during real time. In addition, computational challenges associated with the proposed framework are also discussed with recommended practices.« less

A Service Delivery Model for Children with DCD Based on Principles of Best Practice.

PubMed

Camden, Chantal; Léger, France; Morel, Julie; Missiuna, Cheryl

2015-01-01

In this perspective article, we propose the Apollo model as an example of an innovative interdisciplinary, community-based service delivery model for children with Developmental Coordination Disorder (DCD) characterized by the use of graduated levels of intensity and evidence-based interventions that focus on function and participation. We describe the context that led to the creation of the Apollo model, describe the approach to service delivery and the services offered. The Apollo model has 5 components: first contact, service delivery coordination, community-, group-, and individual-interventions. This model guided the development of a streamlined set of services offered to children with DCD, including early-intake to share educational information with families, community interventions, inter-disciplinary and occupational therapy groups, and individual interventions. Following implementation of the Apollo model, wait-times decreased and the number of children receiving services increased, without compromising service quality. Lessons learned are shared to facilitate development of other practice models to support children with DCD.

Assessment of Institutional Capacities of Flood Management Institution in Pakistan

NASA Astrophysics Data System (ADS)

Khan, Noor M.

2009-03-01

Pakistan is frequently devastated by floods. The flood impacts can be reduced if the flood management institutional capacities are improved. This paper reviews and assesses the capacities of flood management institution in Pakistan. Citing a number of case studies about the flood management practices in Pakistan, the study estimates the weaknesses and strengths of the institution with respect to various phases of flood management, namely, mitigation, preparedness, response, and rehabilitation and also with respect to various characteristics of institutions, namely, deliberation, coordination, implementation, and evaluation, using an improved capacity assessment framework. It has been found that the performance of the mitigation and rehabilitation phases is not satisfactory and that of preparedness and response is satisfactory. It is concluded that the functions of deliberation need to be improved while the other three characteristics of institution namely, coordination, implementation, and evaluation are performing well. The study will help the policy makers to concentrate on the identified weak capacities.

Map reading tools for map libraries.

USGS Publications Warehouse

Greenberg, G.L.

1982-01-01

Engineers, navigators and military strategists employ a broad array of mechanical devices to facilitate map use. A larger number of map users such as educators, students, tourists, journalists, historians, politicians, economists and librarians are unaware of the available variety of tools which can be used with maps to increase the speed and efficiency of their application and interpretation. This paper identifies map reading tools such as coordinate readers, protractors, dividers, planimeters, and symbol-templets according to a functional classification. Particularly, arrays of tools are suggested for use in determining position, direction, distance, area and form (perimeter-shape-pattern-relief). -from Author

In-house coordination project for organ and tissue procurement: social responsibility and promising results.

PubMed

Silva, Vanessa Silva E; Moura, Luciana Carvalho; Martins, Luciana Ribeiro; Santos, Roberta Cristina Cardoso Dos; Schirmer, Janine; Roza, Bartira de Aguiar

2016-01-01

to report the results of evaluation regarding changes in the number of potential donor referrals, actual donors, and conversion rates after the implementation of an in-house organ and tissue donation for transplantation coordination project. epidemiological study, both retrospective and transversal, was performed with organ donation data from the Secretariat of Health for the State and the in-house organ donation coordination project of a beneficent hospital. The data was compared using nonparametric statistical Mann-Whitney test, and the Student's t-test, considering a significance level of 5% (p <0.05). there were statistically significant differences (p < 0.05), before and after the implementation of the project on the number of potential donor notification/month (3.05 - 4.7 ), number of actual donor/month (0.78 to 1.60) and rate of conversion ( 24.7 to 34.8 %). The hospitals 1, 2, 7 and 8 had significant results in potential donor, actual donor or conversion rate. the presence of an in-house coordinator is promising and beneficial, the specialist is important to change the indicators of efficiency, which consequently reduces the waiting lists for organ transplants.

In-house coordination project for organ and tissue procurement: social responsibility and promising results 1

PubMed Central

Silva, Vanessa Silva e; Moura, Luciana Carvalho; Martins, Luciana Ribeiro; dos Santos, Roberta Cristina Cardoso; Schirmer, Janine; Roza, Bartira de Aguiar

2016-01-01

Abstract Objectives: to report the results of evaluation regarding changes in the number of potential donor referrals, actual donors, and conversion rates after the implementation of an in-house organ and tissue donation for transplantation coordination project. Methods: epidemiological study, both retrospective and transversal, was performed with organ donation data from the Secretariat of Health for the State and the in-house organ donation coordination project of a beneficent hospital. The data was compared using nonparametric statistical Mann-Whitney test, and the Student's t-test, considering a significance level of 5% (p <0.05). Results: there were statistically significant differences (p < 0.05), before and after the implementation of the project on the number of potential donor notification/month (3.05 - 4.7 ), number of actual donor/month (0.78 to 1.60) and rate of conversion ( 24.7 to 34.8 %). The hospitals 1, 2, 7 and 8 had significant results in potential donor, actual donor or conversion rate. Conclusion: the presence of an in-house coordinator is promising and beneficial, the specialist is important to change the indicators of efficiency, which consequently reduces the waiting lists for organ transplants. PMID:27463111

Searching for a 4 α linear-chain structure in excited states of 16O with covariant density functional theory

NASA Astrophysics Data System (ADS)

Yao, J. M.; Itagaki, N.; Meng, J.

2014-11-01

A study of the 4 α linear-chain structure in high-lying collective excitation states of 16O with covariant density functional theory is presented. The low-spin states are obtained by configuration mixing of particle-number and angular-momentum projected quadrupole deformed mean-field states with the generator coordinate method. The high-spin states are determined by cranking calculations. These two calculations are based on the same energy density functional PC-PK1. We have found a rotational band at low spin with the dominant intrinsic configuration considered to be the one whereby 4 α clusters stay along a common axis. The strongly deformed rod shape also appears in the high-spin region with the angular momentum 13 ℏ to18 ℏ ; however, whether the state is a pure 4 α linear chain is less obvious than for the low-spin states.

Evolution of almost circular orbits of satellites under the action of noncentral gravitational field of the Earth and lunisolar perturbations

NASA Astrophysics Data System (ADS)

Dulliev, A. M.

2011-02-01

Based on the results of paper [1] by G.V. Mozhaev, joint perturbations produced by nonsphericity of the Earth and by attraction of the Moon and the Sun are investigated using the method of averaging. Arbitrary number of spherical harmonics was taken into account in the force function of the Earth’s gravitational filed, and only the principal term was retained in the perturbing function of the Sun. In the perturbing function of the Moon two parallactic terms were considered in addition to the dominant term. The flight altitude was chosen in such a way that perturbations produced by the Sun and Moon would have the second order of smallness relative to the polar oblateness of the Earth. As a result, the formulas for calculation of satellite coordinates are derived that give a high precision on long time intervals.

Hybrid optimal online-overnight charging coordination of plug-in electric vehicles in smart grid

NASA Astrophysics Data System (ADS)

Masoum, Mohammad A. S.; Nabavi, Seyed M. H.

2016-10-01

Optimal coordinated charging of plugged-in electric vehicles (PEVs) in smart grid (SG) can be beneficial for both consumers and utilities. This paper proposes a hybrid optimal online followed by overnight charging coordination of high and low priority PEVs using discrete particle swarm optimization (DPSO) that considers the benefits of both consumers and electric utilities. Objective functions are online minimization of total cost (associated with grid losses and energy generation) and overnight valley filling through minimization of the total load levels. The constraints include substation transformer loading, node voltage regulations and the requested final battery state of charge levels (SOCreq). The main challenge is optimal selection of the overnight starting time (toptimal-overnight,start) to guarantee charging of all vehicle batteries to the SOCreq levels before the requested plug-out times (treq) which is done by simultaneously solving the online and overnight objective functions. The online-overnight PEV coordination approach is implemented on a 449-node SG; results are compared for uncoordinated and coordinated battery charging as well as a modified strategy using cost minimizations for both online and overnight coordination. The impact of toptimal-overnight,start on performance of the proposed PEV coordination is investigated.

Musculoskeletal Model-Guided, Customizable Selection of Shoulder and Elbow Muscles for a C5 SCI Neuroprosthesis

PubMed Central

Hincapie, Juan Gabriel; Blana, Dimitra; Chadwick, Edward K.; Kirsch, Robert F.

2010-01-01

Individuals with C5/C6 spinal cord injury (SCI) have a number of paralyzed muscles in their upper extremities that can be electrically activated in a coordinated manner to restore function. The selection of a practical subset of paralyzed muscles for stimulation depends on the specific condition of the individual, the functions targeted for restoration, and surgical considerations. This paper presents a musculoskeletal model-based approach for optimizing the muscle set used for functional electrical stimulation (FES) of the shoulder and elbow in this population. Experimentally recorded kinematics from able-bodied subjects served as inputs to a musculoskeletal model of the shoulder and elbow, which was modified to reflect the reduced muscle force capacities of an individual with C5 SCI but also the potential of using FES to activate paralyzed muscles. A large number of inverse dynamic simulations mimicking typical activities of daily living were performed that included 1) muscles with retained voluntary control and 2) many different combinations of stimulated paralyzed muscles. These results indicate that a muscle set consisting of the serratus anterior, infraspinatus and triceps would enable the greatest range of relevant movements. This set will become the initial target in a C5 SCI neuroprosthesis to restore shoulder and elbow function. PMID:18586604

Confined active Brownian particles: theoretical description of propulsion-induced accumulation

NASA Astrophysics Data System (ADS)

Das, Shibananda; Gompper, Gerhard; Winkler, Roland G.

2018-01-01

The stationary-state distribution function of confined active Brownian particles (ABPs) is analyzed by computer simulations and analytical calculations. We consider a radial harmonic as well as an anharmonic confinement potential. In the simulations, the ABP is propelled with a prescribed velocity along a body-fixed direction, which is changing in a diffusive manner. For the analytical approach, the Cartesian components of the propulsion velocity are assumed to change independently; active Ornstein-Uhlenbeck particle (AOUP). This results in very different velocity distribution functions. The analytical solution of the Fokker-Planck equation for an AOUP in a harmonic potential is presented and a conditional distribution function is provided for the radial particle distribution at a given magnitude of the propulsion velocity. This conditional probability distribution facilitates the description of the coupling of the spatial coordinate and propulsion, which yields activity-induced accumulation of particles. For the anharmonic potential, a probability distribution function is derived within the unified colored noise approximation. The comparison of the simulation results with theoretical predictions yields good agreement for large rotational diffusion coefficients, e.g. due to tumbling, even for large propulsion velocities (Péclet numbers). However, we find significant deviations already for moderate Péclet number, when the rotational diffusion coefficient is on the order of the thermal one.

Predicting hand function in older adults: evaluations of grip strength, arm curl strength, and manual dexterity.

PubMed

Liu, Chiung-Ju; Marie, Deana; Fredrick, Aaron; Bertram, Jessica; Utley, Kristen; Fess, Elaine Ewing

2017-08-01

Hand function is critical for independence in activities of daily living for older adults. The purpose of this study was to examine how grip strength, arm curl strength, and manual dexterous coordination contributed to time-based versus self-report assessment of hand function in community-dwelling older adults. Adults aged ≥60 years without low vision or neurological disorders were recruited. Purdue Pegboard Test, Jamar hand dynamometer, 30-second arm curl test, Jebsen-Taylor Hand Function Test, and the Late-Life Function and Disability Instrument were administered to assess manual dexterous coordination, grip strength, arm curl strength, time-based hand function, and self-report of hand function, respectively. Eighty-four adults (mean age = 72 years) completed the study. Hierarchical multiple regressions show that older adults with better arm curl strength (β = -.25, p < .01) and manual dexterous coordination (β = -.52, p < .01) performed better on the time-based hand function test. In comparison, older adults with better grip strength (β = .40, p < .01), arm curl strength (β = .23, p < .05), and manual dexterous coordination (β = .23, p < .05) were associated with better self-report of upper extremity function. The relationship between grip strength and hand function may be test-specific. Grip strength becomes a significant factor when the test requires grip strength to successfully complete the test tasks. Arm curl strength independently contributed to hand function in both time-based and self-report assessments, indicating that strength of extrinsic muscles of the hand are essential for hand function.

Adding the Third Dimension to Virus Life Cycles: Three-Dimensional Reconstruction of Icosahedral Viruses from Cryo-Electron Micrographs

PubMed Central

Baker, T. S.; Olson, N. H.; Fuller, S. D.

1999-01-01

Viruses are cellular parasites. The linkage between viral and host functions makes the study of a viral life cycle an important key to cellular functions. A deeper understanding of many aspects of viral life cycles has emerged from coordinated molecular and structural studies carried out with a wide range of viral pathogens. Structural studies of viruses by means of cryo-electron microscopy and three-dimensional image reconstruction methods have grown explosively in the last decade. Here we review the use of cryo-electron microscopy for the determination of the structures of a number of icosahedral viruses. These studies span more than 20 virus families. Representative examples illustrate the use of moderate- to low-resolution (7- to 35-Å) structural analyses to illuminate functional aspects of viral life cycles including host recognition, viral attachment, entry, genome release, viral transcription, translation, proassembly, maturation, release, and transmission, as well as mechanisms of host defense. The success of cryo-electron microscopy in combination with three-dimensional image reconstruction for icosahedral viruses provides a firm foundation for future explorations of more-complex viral pathogens, including the vast number that are nonspherical or nonsymmetrical. PMID:10585969

Determination of the coordination environment of Cu(II) in human hair and its possible relevance to health and hair care treatments.

PubMed

Worasith, N; Goodman, B A

2013-10-01

This paper addresses the question of the coordination environment of copper (II) in hair. The research is based on electron paramagnetic resonance (EPR), a spectroscopic technique that detects specifically paramagnetic molecules. Samples were investigated from various male and female subjects of different ages and races. The Cu(II) EPR signals seemed to be a combination of two components in widely differing relative proportions, although both have the relationship g(// )> g(⊥) > 2.0 expected for the unpaired electron in a d(x2-y2) orbital and are thus consistent with square planar or tetragonal symmetry for the Cu(II) ion. With a very few samples, the EPR spectra consisted of a single component, and high quality spectra from these samples are presented for use as standard reference results. In one type of complex, (14) N superhyperfine structure (shfs) was resolved and the spectrum corresponds to Cu coordination to mixed O- and N-containing functional groups, although the number of N atoms cannot be determined with certainty. No (14) N shfs was seen in the spectrum from the other type of complex, and its narrow linewidth excluded the possibility of any. Furthermore, the spectral parameters are inconsistent with coordination of the Cu to four O atoms, but consistent with some S coordinated to the Cu. Large variations between the relative proportions of the two Cu(II) forms were observed with a single healthy subject over a 5-year period, thus suggesting that they are determined by 'environmental' factors, possibly hair treatment processes, rather than being markers for the health of the subject. EPR spectroscopy is a convenient non-destructive method for determining the Cu coordination environment in hair, and could be used to monitor its response to various types of hair treatment. © 2013 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Cation Coordination Alters the Conformation of a Thrombin-Binding G-Quadruplex DNA Aptamer That Affects Inhibition of Thrombin.

PubMed

Zavyalova, Elena; Tagiltsev, Grigory; Reshetnikov, Roman; Arutyunyan, Alexander; Kopylov, Alexey

2016-10-01

Thrombin-binding aptamers are promising anticoagulants. HD1 is a monomolecular antiparallel G-quadruplex with two G-quartets linked by three loops. Aptamer-thrombin interactions are mediated with two TT-loops that bind thrombin exosite I. Several cations were shown to be coordinated inside the G-quadruplex, including K + , Na + , NH 4 + , Ba 2+ , and Sr 2+ ; on the contrary, Mn 2+ was coordinated in the grooves, outside the G-quadruplex. K + or Na + coordination provides aptamer functional activity. The effect of other cations on aptamer functional activity has not yet been described, because of a lack of relevant tests. Interactions between aptamer HD1 and a series of cations were studied. A previously developed enzymatic method was applied to evaluate aptamer inhibitory activity. The structure-function correlation was studied using the characterization of G-quadruplex conformation by circular dichroism spectroscopy. K + coordination provided the well-known high inhibitory activity of the aptamer, whereas Na + coordination supported low activity. Although NH 4 + coordination yielded a typical antiparallel G-quadruplex, no inhibitory activity was shown; a similar effect was observed for Ba 2+ and Sr 2+ coordination. Mn 2+ coordination destabilized the G-quadruplex that drastically diminished aptamer inhibitory activity. Therefore, G-quadruplex existence per se is insufficient for aptamer inhibitory activity. To elicit the nature of these effects, we thoroughly analyzed nuclear magnetic resonance (NMR) and X-ray data on the structure of the HD1 G-quadruplex with various cations. The most reasonable explanation is that cation coordination changes the conformation of TT-loops, affecting thrombin binding and inhibition. HD1 counterparts, aptamers 31-TBA and NU172, behaved similarly with some distinctions. In 31-TBA, an additional duplex module stabilized antiparallel G-quadruplex conformation at high concentrations of divalent cations; whereas in NU172, a different sequence of loops in the G-quadruplex module provided an equilibrium of antiparallel and parallel G-quadruplexes that shifted with cation binding. In conclusion, structures of G-quadruplex aptamers are flexible enough and are fine-tuned with different cation coordination.

Radiological emergency response for community agencies with cognitive task analysis, risk analysis, and decision support framework.

PubMed

Meyer, Travis S; Muething, Joseph Z; Lima, Gustavo Amoras Souza; Torres, Breno Raemy Rangel; del Rosario, Trystyn Keia; Gomes, José Orlando; Lambert, James H

2012-01-01

Radiological nuclear emergency responders must be able to coordinate evacuation and relief efforts following the release of radioactive material into populated areas. In order to respond quickly and effectively to a nuclear emergency, high-level coordination is needed between a number of large, independent organizations, including police, military, hazmat, and transportation authorities. Given the complexity, scale, time-pressure, and potential negative consequences inherent in radiological emergency responses, tracking and communicating information that will assist decision makers during a crisis is crucial. The emergency response team at the Angra dos Reis nuclear power facility, located outside of Rio de Janeiro, Brazil, presently conducts emergency response simulations once every two years to prepare organizational leaders for real-life emergency situations. However, current exercises are conducted without the aid of electronic or software tools, resulting in possible cognitive overload and delays in decision-making. This paper describes the development of a decision support system employing systems methodologies, including cognitive task analysis and human-machine interface design. The decision support system can aid the coordination team by automating cognitive functions and improving information sharing. A prototype of the design will be evaluated by plant officials in Brazil and incorporated to a future trial run of a response simulation.

Thermodynamic and Spectroscopic Studies of Trivalent f -element Complexation with Ethylenediamine- N,N '-di(acetylglycine)- N,N '-diacetic Acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heathman, Colt R.; Grimes, Travis S.; Zalupski, Peter R.

In this study, the coordination behavior and thermodynamic features of complexation of trivalent lanthanides and americium by ethylenediamine- N,N'-di(acetylglycine)- N,N'-diacetic acid (EDDAG-DA) (bisamide-substituted-EDTA) were investigated by potentiometric and spectroscopic techniques. Acid dissociation constants (K a) and complexation constants (β) of lanthanides (except Pm) were determined by potentiometric analysis. Absorption spectroscopy was used to determine stability constants for the binding of trivalent americium and neodymium by EDDAG-DA under similar conditions. The potentiometry revealed 5 discernible protonation constants and 3 distinct metal–ligand complexes (identified as ML –, MHL, and MH 2L +). Time-resolved fluorescence studies of Eu-(EDDAG-DA) solutions (at varying pH) identifiedmore » a constant inner-sphere hydration number of 3, suggesting that glycine functionalities contained in the amide pendant arms are not involved in metal complexation and are protonated under more acidic conditions. The thermodynamic studies identified that f-element coordination by EDDAG-DA is similar to that observed for ethylenediamine- N,N,N',N'-tetraacetic acid (EDTA). However, coordination via two amidic oxygens of EDDAG-DA lowers its trivalent f-element complex stability by roughly 3 orders of magnitude relative to EDTA.« less

Thermodynamic and Spectroscopic Studies of Trivalent f -element Complexation with Ethylenediamine- N,N '-di(acetylglycine)- N,N '-diacetic Acid

DOE PAGES

Heathman, Colt R.; Grimes, Travis S.; Zalupski, Peter R.

2016-03-21

In this study, the coordination behavior and thermodynamic features of complexation of trivalent lanthanides and americium by ethylenediamine- N,N'-di(acetylglycine)- N,N'-diacetic acid (EDDAG-DA) (bisamide-substituted-EDTA) were investigated by potentiometric and spectroscopic techniques. Acid dissociation constants (K a) and complexation constants (β) of lanthanides (except Pm) were determined by potentiometric analysis. Absorption spectroscopy was used to determine stability constants for the binding of trivalent americium and neodymium by EDDAG-DA under similar conditions. The potentiometry revealed 5 discernible protonation constants and 3 distinct metal–ligand complexes (identified as ML –, MHL, and MH 2L +). Time-resolved fluorescence studies of Eu-(EDDAG-DA) solutions (at varying pH) identifiedmore » a constant inner-sphere hydration number of 3, suggesting that glycine functionalities contained in the amide pendant arms are not involved in metal complexation and are protonated under more acidic conditions. The thermodynamic studies identified that f-element coordination by EDDAG-DA is similar to that observed for ethylenediamine- N,N,N',N'-tetraacetic acid (EDTA). However, coordination via two amidic oxygens of EDDAG-DA lowers its trivalent f-element complex stability by roughly 3 orders of magnitude relative to EDTA.« less

Care Coordination with Schools: The Role of Family-Centered Care for Children with Special Health Care Needs.

PubMed

Barnard-Brak, Lucy; Stevens, Tara; Carpenter, Julianna

2017-05-01

Objectives Family-centered care has been associated with positive outcomes for children with special health care needs. The purpose of the current study was to examine the relationship of family-centered care as associated with care coordination with schools and school absences (e.g., missed days) as reported by parents of children with special health care needs. Methods The current study utilized data from the National Survey of Children with Special Health Care Needs 2009-201 (N = 40,242) to achieve this purpose. The National Survey of Children with Special Health Care Needs may be considered a nationally-representative and community-based sample of parent responses for children with special health care needs across the United States. Results Results from the current study indicate that family-centered care is associated with fewer absences and improved care coordination with schools when applicable. The variables of functional difficulties, poverty level, and the number of conditions were statistically controlled. Conclusions We suggest that the positive influence of family-centered care when practiced extends beyond the family and interacts with educational outcomes. We also suggest that the role of schools appears to be under-studied given the role that schools can play in family-centered care.

Control systems and coordination protocols of the secretory pathway.

PubMed

Luini, Alberto; Mavelli, Gabriella; Jung, Juan; Cancino, Jorge

2014-01-01

Like other cellular modules, the secretory pathway and the Golgi complex are likely to be supervised by control systems that support homeostasis and optimal functionality under all conditions, including external and internal perturbations. Moreover, the secretory apparatus must be functionally connected with other cellular modules, such as energy metabolism and protein degradation, via specific rules of interaction, or "coordination protocols". These regulatory devices are of fundamental importance for optimal function; however, they are generally "hidden" at steady state. The molecular components and the architecture of the control systems and coordination protocols of the secretory pathway are beginning to emerge through studies based on the use of controlled transport-specific perturbations aimed specifically at the detection and analysis of these internal regulatory devices.

Absolute GPS Positioning Using Genetic Algorithms

NASA Astrophysics Data System (ADS)

Ramillien, G.

A new inverse approach for restoring the absolute coordinates of a ground -based station from three or four observed GPS pseudo-ranges is proposed. This stochastic method is based on simulations of natural evolution named genetic algorithms (GA). These iterative procedures provide fairly good and robust estimates of the absolute positions in the Earth's geocentric reference system. For comparison/validation, GA results are compared to the ones obtained using the classical linearized least-square scheme for the determination of the XYZ location proposed by Bancroft (1985) which is strongly limited by the number of available observations (i.e. here, the number of input pseudo-ranges must be four). The r.m.s. accuracy of the non -linear cost function reached by this latter method is typically ~10-4 m2 corresponding to ~300-500-m accuracies for each geocentric coordinate. However, GA can provide more acceptable solutions (r.m.s. errors < 10-5 m2), even when only three instantaneous pseudo-ranges are used, such as a lost of lock during a GPS survey. Tuned GA parameters used in different simulations are N=1000 starting individuals, as well as Pc=60-70% and Pm=30-40% for the crossover probability and mutation rate, respectively. Statistical tests on the ability of GA to recover acceptable coordinates in presence of important levels of noise are made simulating nearly 3000 random samples of erroneous pseudo-ranges. Here, two main sources of measurement errors are considered in the inversion: (1) typical satellite-clock errors and/or 300-metre variance atmospheric delays, and (2) Geometrical Dilution of Precision (GDOP) due to the particular GPS satellite configuration at the time of acquisition. Extracting valuable information and even from low-quality starting range observations, GA offer an interesting alternative for high -precision GPS positioning.

PV output smoothing using a battery and natural gas engine-generator.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Jay Dean; Ellis, Abraham; Denda, Atsushi

2013-02-01

In some situations involving weak grids or high penetration scenarios, the variability of photovoltaic systems can affect the local electrical grid. In order to mitigate destabilizing effects of power fluctuations, an energy storage device or other controllable generation or load can be used. This paper describes the development of a controller for coordinated operation of a small gas engine-generator set (genset) and a battery for smoothing PV plant output. There are a number of benefits derived from using a traditional generation resource in combination with the battery; the variability of the photovoltaic system can be reduced to a specific levelmore » with a smaller battery and Power Conditioning System (PCS) and the lifetime of the battery can be extended. The controller was designed specifically for a PV/energy storage project (Prosperity) and a gas engine-generator (Mesa Del Sol) currently operating on the same feeder in Albuquerque, New Mexico. A number of smoothing simulations of the Prosperity PV were conducted using power data collected from the site. By adjusting the control parameters, tradeoffs between battery use and ramp rates could be tuned. A cost function was created to optimize the control in order to balance, in this example, the need to have low ramp rates with reducing battery size and operation. Simulations were performed for cases with only a genset or battery, and with and without coordinated control between the genset and battery, e.g., without the communication link between sites or during a communication failure. The degree of smoothing without coordinated control did not change significantly because the battery dominated the smoothing response. It is anticipated that this work will be followed by a field demonstration in the near future.« less

Conflict and coordination in the provision of public goods: a conceptual analysis of continuous and step-level games.

PubMed

Abele, Susanne; Stasser, Garold; Chartier, Christopher

2010-11-01

Conflicts between individual and collective interests are ubiquitous in social life. Experimental studies have investigated the resolution of such conflicts using public goods games with either continuous or step-level payoff functions. Game theory and social interdependence theory identify consequential differences between these two types of games. Continuous function games are prime examples of social dilemmas because they always contain a conflict between individual and collective interests, whereas step-level games can be construed as social coordination games. Step-level games often provide opportunities for coordinated solutions that benefit both the collective and the individuals. For this and other reasons, the authors conclude that one cannot safely generalize results obtained from step-level to continuous-form games (or vice versa). Finally, the authors identify specific characteristics of the payoff function in public goods games that conceptually mark the transition from a pure dilemma to a coordination problem nested within a dilemma.

Differing Roles of Functional Movement Variability as Experience Increases in Gymnastics

PubMed Central

Busquets, Albert; Marina, Michel; Davids, Keith; Angulo-Barroso, Rosa

2016-01-01

Current theories, like Ecological Dynamics, propose that inter-trial movement variability is functional when acquiring or refining movement coordination. Here, we examined how age-based experience levels of gymnasts constrained differences in emergent movement pattern variability during task performance. Specifically, we investigated different roles of movement pattern variability when gymnasts in different age groups performed longswings on a high bar, capturing the range of experience from beginner to advanced status. We also investigated the functionality of the relationships between levels of inter-trial variability and longswing amplitude during performance. One-hundred and thirteen male gymnasts in five age groups were observed performing longswings (with three different experience levels: beginners, intermediates and advanced performers). Performance was evaluated by analysis of key events in coordination of longswing focused on the arm-trunk and trunk-thigh segmental relations. Results revealed that 10 of 18 inter-trial variability measures changed significantly as a function of increasing task experience. Four of ten variability measures conformed to a U-shaped function with age implying exploratory strategies amongst beginners and functional adaptive variability amongst advanced performers. Inter-trial variability of arm-trunk coordination variables (6 of 10) conformed to a \\-shaped curve, as values were reduced to complete the longswings. Changes in coordination variability from beginner to intermediate status were largely restrictive, with only one variability measure related to exploration. Data revealed how inter-trial movement variability in gymnastics, relative to performance outcomes, needs careful interpretation, implying different roles as task experience changes. Key points Inter-trial variability while performing longswings on a high bar was assessed in a large sample (113 participants) divided into five age groups (form beginners to advanced gymnasts). Longswing assessment allowed us to evaluate inter-trial variability in representative performance context. Coordination variability presented two different configurations across experience levels depending on the variable of interest: either a U-shaped or a L- or \\-shaped graph. Increased inter-trial variability of the functional phase events offered flexibility to adapt the longswing performance in the advanced gymnasts, while decreasing variability in arm-trunk coordination modes was critical to improve longswing and to achieve the most advanced level. In addition, the relationship between variability measures and the global performance outcome (i.e. the swing amplitude) revealed different functional roles of movement variability (exploratory or restrictive) as a function of changes in experience levels. PMID:27274664

Overcoming Communication Restrictions in Collectives

NASA Technical Reports Server (NTRS)

Tumer, Kagan; Agogino, Adrian K.

2004-01-01

Many large distributed system are characterized by having a large number of components (eg., agents, neurons) whose actions and interactions determine a %orld utility which rates the performance of the overall system. Such collectives are often subject to communication restrictions, making it difficult for components which try to optimize their own private utilities, to take actions that also help optimize the world utility. In this article we address that coordination problem and derive four utility functions which present different compromises between how aligned a component s private utility is with the world utility and how readily that component can determine the actions that optimize its utility. The results show that the utility functions specifically derived to operate under communication restrictions outperform both traditional methods and previous collective-based methods by up to 75%.

Averaging the Equations of a Planetary Problem in an Astrocentric Reference Frame

NASA Astrophysics Data System (ADS)

Mikryukov, D. V.

2018-05-01

A system of averaged equations of planetary motion around a central star is constructed. An astrocentric coordinate system is used. The two-planet problem is considered, but all constructions are easily generalized to an arbitrary number N of planets. The motion is investigated in modified (complex) Poincarécanonical elements. The averaging is performed by the Hori-Deprit method over the fast mean longitudes to the second order relative to the planetary masses. An expansion of the disturbing function is constructed using the Laplace coefficients. Some terms of the expansion of the disturbing function and the first terms of the expansion of the averaged Hamiltonian are given. The results of this paper can be used to investigate the evolution of orbits with moderate eccentricities and inclinations in various planetary systems.

Prediction of protein-protein interaction network using a multi-objective optimization approach.

PubMed

Chowdhury, Archana; Rakshit, Pratyusha; Konar, Amit

2016-06-01

Protein-Protein Interactions (PPIs) are very important as they coordinate almost all cellular processes. This paper attempts to formulate PPI prediction problem in a multi-objective optimization framework. The scoring functions for the trial solution deal with simultaneous maximization of functional similarity, strength of the domain interaction profiles, and the number of common neighbors of the proteins predicted to be interacting. The above optimization problem is solved using the proposed Firefly Algorithm with Nondominated Sorting. Experiments undertaken reveal that the proposed PPI prediction technique outperforms existing methods, including gene ontology-based Relative Specific Similarity, multi-domain-based Domain Cohesion Coupling method, domain-based Random Decision Forest method, Bagging with REP Tree, and evolutionary/swarm algorithm-based approaches, with respect to sensitivity, specificity, and F1 score.

Predicting the Oxygen-Binding Properties of Platinum Nanoparticle Ensembles by Combining High-Precision Electron Microscopy and Density Functional Theory.

PubMed

Aarons, Jolyon; Jones, Lewys; Varambhia, Aakash; MacArthur, Katherine E; Ozkaya, Dogan; Sarwar, Misbah; Skylaris, Chris-Kriton; Nellist, Peter D

2017-07-12

Many studies of heterogeneous catalysis, both experimental and computational, make use of idealized structures such as extended surfaces or regular polyhedral nanoparticles. This simplification neglects the morphological diversity in real commercial oxygen reduction reaction (ORR) catalysts used in fuel-cell cathodes. Here we introduce an approach that combines 3D nanoparticle structures obtained from high-throughput high-precision electron microscopy with density functional theory. Discrepancies between experimental observations and cuboctahedral/truncated-octahedral particles are revealed and discussed using a range of widely used descriptors, such as electron-density, d-band centers, and generalized coordination numbers. We use this new approach to determine the optimum particle size for which both detrimental surface roughness and particle shape effects are minimized.

Coordinating the Cognitive Processes of Writing: The Role of the Monitor

ERIC Educational Resources Information Center

Quinlan, Thomas; Loncke, Maaike; Leijten, Marielle; Van Waes, Luuk

2012-01-01

Moment to moment, a writer faces a host of potential problems. How does the writer's mind coordinate this problem solving? In the original Hayes and Flower model, the authors posited a distinct process to manage this coordinating--that is, the "monitor." The monitor became responsible for executive function in writing. In two…

Network Performance and Coordination in the Health, Education, Telecommunications System. Satellite Technology Demonstration, Technical Report No. 0422.

ERIC Educational Resources Information Center

Braunstein, Jean; Janky, James M.

This paper describes the network coordination for the Health, Education, Telecommunications (HET) system. Specifically, it discusses HET network performance as a function of a specially-developed coordination system which was designed to link terrestrial equipment to satellite operations centers. Because all procedures and equipment developed for…

Distributions in Spherical Coordinates with Applications to Classical Electrodynamics

ERIC Educational Resources Information Center

Gsponer, Andre

2007-01-01

A general and rigorous method to deal with singularities at the origin of a polar coordinate system is presented. Its power derives from a clear distinction between the radial distance and the radial coordinate variable, which makes that all delta functions and their derivatives are automatically generated, and ensures that the Gauss theorem is…

Jaw-Phonatory Coordination in Chronic Developmental Stuttering

ERIC Educational Resources Information Center

Loucks, Torrey M. J.; De Nil, Luc F.; Sasisekaran, Jayanthi

2007-01-01

A deficiency in sensorimotor integration in a person who stutters may be a factor in the pathophysiology of developmental stuttering. To test oral sensorimotor function in adults who stutter, we used a task that requires the coordination of a jaw-opening movement with phonation onset. The task was adapted from previous limb coordination studies,…

Nonlinear finite element formulation for the large displacement analysis in multibody system dynamics

NASA Technical Reports Server (NTRS)

Rismantab-Sany, J.; Chang, B.; Shabana, A. A.

1989-01-01

A total Lagrangian finite element formulation for the deformable bodies in multibody mechanical systems that undergo finite relative rotations is developed. The deformable bodies are discretized using finite element methods. The shape functions that are used to describe the displacement field are required to include the rigid body modes that describe only large translational displacements. This does not impose any limitations on the technique because most commonly used shape functions satisfy this requirement. The configuration of an element is defined using four sets of coordinate systems: Body, Element, Intermediate element, Global. The body coordinate system serves as a unique standard for the assembly of the elements forming the deformable body. The element coordinate system is rigidly attached to the element and therefore it translates and rotates with the element. The intermediate element coordinate system, whose axes are initially parallel to the element axes, has an origin which is rigidly attached to the origin of the body coordinate system and is used to conveniently describe the configuration of the element in undeformed state with respect to the body coordinate system.

Coordination of peptidoglycan synthesis and outer membrane constriction during Escherichia coli cell division

PubMed Central

Gray, Andrew N; Egan, Alexander JF; van't Veer, Inge L; Verheul, Jolanda; Colavin, Alexandre; Koumoutsi, Alexandra; Biboy, Jacob; Altelaar, A F Maarten; Damen, Mirjam J; Huang, Kerwyn Casey; Simorre, Jean-Pierre; Breukink, Eefjan; den Blaauwen, Tanneke; Typas, Athanasios; Gross, Carol A; Vollmer, Waldemar

2015-01-01

To maintain cellular structure and integrity during division, Gram-negative bacteria must carefully coordinate constriction of a tripartite cell envelope of inner membrane, peptidoglycan (PG), and outer membrane (OM). It has remained enigmatic how this is accomplished. Here, we show that envelope machines facilitating septal PG synthesis (PBP1B-LpoB complex) and OM constriction (Tol system) are physically and functionally coordinated via YbgF, renamed CpoB (Coordinator of PG synthesis and OM constriction, associated with PBP1B). CpoB localizes to the septum concurrent with PBP1B-LpoB and Tol at the onset of constriction, interacts with both complexes, and regulates PBP1B activity in response to Tol energy state. This coordination links PG synthesis with OM invagination and imparts a unique mode of bifunctional PG synthase regulation by selectively modulating PBP1B cross-linking activity. Coordination of the PBP1B and Tol machines by CpoB contributes to effective PBP1B function in vivo and maintenance of cell envelope integrity during division. DOI: http://dx.doi.org/10.7554/eLife.07118.001 PMID:25951518

Restoration of motor function following spinal cord injury via optimal control of intraspinal microstimulation: toward a next generation closed-loop neural prosthesis

PubMed Central

Grahn, Peter J.; Mallory, Grant W.; Berry, B. Michael; Hachmann, Jan T.; Lobel, Darlene A.; Lujan, J. Luis

2014-01-01

Movement is planned and coordinated by the brain and carried out by contracting muscles acting on specific joints. Motor commands initiated in the brain travel through descending pathways in the spinal cord to effector motor neurons before reaching target muscles. Damage to these pathways by spinal cord injury (SCI) can result in paralysis below the injury level. However, the planning and coordination centers of the brain, as well as peripheral nerves and the muscles that they act upon, remain functional. Neuroprosthetic devices can restore motor function following SCI by direct electrical stimulation of the neuromuscular system. Unfortunately, conventional neuroprosthetic techniques are limited by a myriad of factors that include, but are not limited to, a lack of characterization of non-linear input/output system dynamics, mechanical coupling, limited number of degrees of freedom, high power consumption, large device size, and rapid onset of muscle fatigue. Wireless multi-channel closed-loop neuroprostheses that integrate command signals from the brain with sensor-based feedback from the environment and the system's state offer the possibility of increasing device performance, ultimately improving quality of life for people with SCI. In this manuscript, we review neuroprosthetic technology for improving functional restoration following SCI and describe brain-machine interfaces suitable for control of neuroprosthetic systems with multiple degrees of freedom. Additionally, we discuss novel stimulation paradigms that can improve synergy with higher planning centers and improve fatigue-resistant activation of paralyzed muscles. In the near future, integration of these technologies will provide SCI survivors with versatile closed-loop neuroprosthetic systems for restoring function to paralyzed muscles. PMID:25278830

Quantitative Characteristics of Gene Regulation by Small RNA

PubMed Central

Levine, Erel; Zhang, Zhongge; Kuhlman, Thomas; Hwa, Terence

2007-01-01

An increasing number of small RNAs (sRNAs) have been shown to regulate critical pathways in prokaryotes and eukaryotes. In bacteria, regulation by trans-encoded sRNAs is predominantly found in the coordination of intricate stress responses. The mechanisms by which sRNAs modulate expression of its targets are diverse. In common to most is the possibility that interference with the translation of mRNA targets may also alter the abundance of functional sRNAs. Aiming to understand the unique role played by sRNAs in gene regulation, we studied examples from two distinct classes of bacterial sRNAs in Escherichia coli using a quantitative approach combining experiment and theory. Our results demonstrate that sRNA provides a novel mode of gene regulation, with characteristics distinct from those of protein-mediated gene regulation. These include a threshold-linear response with a tunable threshold, a robust noise resistance characteristic, and a built-in capability for hierarchical cross-talk. Knowledge of these special features of sRNA-mediated regulation may be crucial toward understanding the subtle functions that sRNAs can play in coordinating various stress-relief pathways. Our results may also help guide the design of synthetic genetic circuits that have properties difficult to attain with protein regulators alone. PMID:17713988

Application of thin-plate spline transformations to finite element models, or, how to turn a bog turtle into a spotted turtle to analyze both.

PubMed

Stayton, C Tristan

2009-05-01

Finite element (FE) models are popular tools that allow biologists to analyze the biomechanical behavior of complex anatomical structures. However, the expense and time required to create models from specimens has prevented comparative studies from involving large numbers of species. A new method is presented for transforming existing FE models using geometric morphometric methods. Homologous landmark coordinates are digitized on the FE model and on a target specimen into which the FE model is being transformed. These coordinates are used to create a thin-plate spline function and coefficients, which are then applied to every node in the FE model. This function smoothly interpolates the location of points between landmarks, transforming the geometry of the original model to match the target. This new FE model is then used as input in FE analyses. This procedure is demonstrated with turtle shells: a Glyptemys muhlenbergii model is transformed into Clemmys guttata and Actinemys marmorata models. Models are loaded and the resulting stresses are compared. The validity of the models is tested by crushing actual turtle shells in a materials testing machine and comparing those results to predictions from FE models. General guidelines, cautions, and possibilities for this procedure are also presented.

Transcription factor EB: from master coordinator of lysosomal pathways to candidate therapeutic target in degenerative storage diseases.

PubMed

Sardiello, Marco

2016-05-01

The lysosome is the main catabolic hub of the cell. Owing to its role in fundamental processes such as autophagy, plasma membrane repair, mTOR signaling, and maintenance of cellular homeostasis, the lysosome has a profound influence on cellular metabolism and human health. Indeed, inefficient or impaired lysosomal function has been implicated in the pathogenesis of a number of degenerative diseases affecting various organs and tissues, most notably the brain, liver, and muscle. The discovery of the coordinated lysosomal expression and regulation (CLEAR) genetic program and its master controller, transcription factor EB (TFEB), has provided an unprecedented tool to study and manipulate lysosomal function. Most lysosome-based processes-including macromolecule degradation, autophagy, lysosomal exocytosis, and proteostasis-are under the transcriptional control of TFEB. Interestingly, impaired TFEB signaling has been suggested to be a contributing factor in the pathogenesis of several degenerative storage diseases. Preclinical studies based on TFEB exogenous expression to reinstate TFEB activity or promote CLEAR network-based lysosomal enhancement have highlighted TFEB as a candidate therapeutic target for the treatment of various degenerative storage diseases. © 2016 The Authors. Annals of the New York Academy of Sciences published by Wiley Periodicals, Inc. on behalf of New York Academy of Sciences.

A Study of the Hydration of the Alkali Metal Ions in Aqueous Solution

PubMed Central

2011-01-01

The hydration of the alkali metal ions in aqueous solution has been studied by large angle X-ray scattering (LAXS) and double difference infrared spectroscopy (DDIR). The structures of the dimethyl sulfoxide solvated alkali metal ions in solution have been determined to support the studies in aqueous solution. The results of the LAXS and DDIR measurements show that the sodium, potassium, rubidium and cesium ions all are weakly hydrated with only a single shell of water molecules. The smaller lithium ion is more strongly hydrated, most probably with a second hydration shell present. The influence of the rubidium and cesium ions on the water structure was found to be very weak, and it was not possible to quantify this effect in a reliable way due to insufficient separation of the O–D stretching bands of partially deuterated water bound to these metal ions and the O–D stretching bands of the bulk water. Aqueous solutions of sodium, potassium and cesium iodide and cesium and lithium hydroxide have been studied by LAXS and M–O bond distances have been determined fairly accurately except for lithium. However, the number of water molecules binding to the alkali metal ions is very difficult to determine from the LAXS measurements as the number of distances and the temperature factor are strongly correlated. A thorough analysis of M–O bond distances in solid alkali metal compounds with ligands binding through oxygen has been made from available structure databases. There is relatively strong correlation between M–O bond distances and coordination numbers also for the alkali metal ions even though the M–O interactions are weak and the number of complexes of potassium, rubidium and cesium with well-defined coordination geometry is very small. The mean M–O bond distance in the hydrated sodium, potassium, rubidium and cesium ions in aqueous solution have been determined to be 2.43(2), 2.81(1), 2.98(1) and 3.07(1) Å, which corresponds to six-, seven-, eight- and eight-coordination. These coordination numbers are supported by the linear relationship of the hydration enthalpies and the M–O bond distances. This correlation indicates that the hydrated lithium ion is four-coordinate in aqueous solution. New ionic radii are proposed for four- and six-coordinate lithium(I), 0.60 and 0.79 Å, respectively, as well as for five- and six-coordinate sodium(I), 1.02 and 1.07 Å, respectively. The ionic radii for six- and seven-coordinate K+, 1.38 and 1.46 Å, respectively, and eight-coordinate Rb+ and Cs+, 1.64 and 1.73 Å, respectively, are confirmed from previous studies. The M–O bond distances in dimethyl sulfoxide solvated sodium, potassium, rubidium and cesium ions in solution are very similar to those observed in aqueous solution. PMID:22168370

A Shift from a Pivotal to Supporting Role for the Growth-Associated Protein (GAP-43) in the Coordination of Axonal Structural and Functional Plasticity

PubMed Central

Holahan, Matthew R.

2017-01-01

In a number of animal species, the growth-associated protein (GAP), GAP-43 (aka: F1, neuromodulin, B-50, G50, pp46), has been implicated in the regulation of presynaptic vesicular function and axonal growth and plasticity via its own biochemical properties and interactions with a number of other presynaptic proteins. Changes in the expression of GAP-43 mRNA or distribution of the protein coincide with axonal outgrowth as a consequence of neuronal damage and presynaptic rearrangement that would occur following instances of elevated patterned neural activity including memory formation and development. While functional enhancement in GAP-43 mRNA and/or protein activity has historically been hypothesized as a central mediator of axonal neuroplastic and regenerative responses in the central nervous system, it does not appear to be the crucial substrate sufficient for driving these responses. This review explores the historical discovery of GAP-43 (and associated monikers), its transcriptional, post-transcriptional and post-translational regulation and current understanding of protein interactions and regulation with respect to its role in axonal function. While GAP-43 itself appears to have moved from a pivotal to a supporting factor, there is no doubt that investigations into its functions have provided a clearer understanding of the biochemical underpinnings of axonal plasticity. PMID:28912688

Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation.

PubMed

Echenique, Pablo; Alonso, J L

2006-07-30

A set of rules is defined to systematically number the groups and the atoms of polypeptides in a modular manner. Supported by this numeration, a set of internal coordinates is defined. These coordinates (termed Systematic, Approximately Separable, and Modular Internal Coordinates--SASMIC) are straightforwardly written in Z-matrix form and may be directly implemented in typical Quantum Chemistry packages. A number of Perl scripts that automatically generate the Z-matrix files are provided as supplementary material. The main difference with most Z-matrix-like coordinates normally used in the literature is that normal dihedral angles ("principal dihedrals" in this work) are only used to fix the orientation of whole groups and a different type of dihedrals, termed "phase dihedrals," are used to describe the covalent structure inside the groups. This physical approach allows to approximately separate soft and hard movements of the molecule using only topological information and to directly implement constraints. As an application, we use the coordinates defined and ab initio quantum mechanical calculations to assess the commonly assumed approximation of the free energy, obtained from "integrating out" the side chain degree of freedom chi, by the Potential Energy Surface (PES) in the protected dipeptide HCO-L-Ala-NH2. We also present a subbox of the Hessian matrix in two different sets of coordinates to illustrate the approximate separation of soft and hard movements when the coordinates defined in this work are used. (PACS: 87.14.Ee, 87.15.-v, 87.15.Aa, 87.15.Cc) 2006 Wiley Periodicals, Inc.

Reactive scattering with row-orthonormal hyperspherical coordinates. 4. Four-dimensional-space Wigner rotation function for pentaatomic systems.

PubMed

Kuppermann, Aron

2011-05-14

The row-orthonormal hyperspherical coordinate (ROHC) approach to calculating state-to-state reaction cross sections and bound state levels of N-atom systems requires the use of angular momentum tensors and Wigner rotation functions in a space of dimension N - 1. The properties of those tensors and functions are discussed for arbitrary N and determined for N = 5 in terms of the 6 Euler angles involved in 4-dimensional space.

Topographic Information Requirements and Computer-Graphic Display Techniques for Nap-of-the-Earth Flight.

DTIC Science & Technology

1979-12-01

required of the Army aviator. The successful accomplishment of many of these activities depends upon the aviator’s ability to extract information from maps...Cruise NOE VBI Determine Position VB2 Crew Coordination (Topographic) VB3 Radio Communication VI . TERM4INATION C. Post-Flight VIC1 Debriefing 11LA 1I...NOE FUNCTION: VBI DETERMINE POSITION INFORMATION REQUIREMENT SPECIFICS SOURCE COMMENTS See Function IIIAl ! FUNCTION: VB2 CREW COORDINATION

Interpolation Error Estimates for Mean Value Coordinates over Convex Polygons

PubMed Central

Rand, Alexander; Gillette, Andrew; Bajaj, Chandrajit

2012-01-01

In a similar fashion to estimates shown for Harmonic, Wachspress, and Sibson coordinates in [Gillette et al., AiCM, to appear], we prove interpolation error estimates for the mean value coordinates on convex polygons suitable for standard finite element analysis. Our analysis is based on providing a uniform bound on the gradient of the mean value functions for all convex polygons of diameter one satisfying certain simple geometric restrictions. This work makes rigorous an observed practical advantage of the mean value coordinates: unlike Wachspress coordinates, the gradient of the mean value coordinates does not become large as interior angles of the polygon approach π. PMID:24027379

Interpolation Error Estimates for Mean Value Coordinates over Convex Polygons.

PubMed

Rand, Alexander; Gillette, Andrew; Bajaj, Chandrajit

2013-08-01

In a similar fashion to estimates shown for Harmonic, Wachspress, and Sibson coordinates in [Gillette et al., AiCM, to appear], we prove interpolation error estimates for the mean value coordinates on convex polygons suitable for standard finite element analysis. Our analysis is based on providing a uniform bound on the gradient of the mean value functions for all convex polygons of diameter one satisfying certain simple geometric restrictions. This work makes rigorous an observed practical advantage of the mean value coordinates: unlike Wachspress coordinates, the gradient of the mean value coordinates does not become large as interior angles of the polygon approach π.

Regional variation in interhemispheric coordination of intrinsic hemodynamic fluctuations.

PubMed

Stark, David E; Margulies, Daniel S; Shehzad, Zarrar E; Reiss, Philip; Kelly, A M Clare; Uddin, Lucina Q; Gee, Dylan G; Roy, Amy K; Banich, Marie T; Castellanos, F Xavier; Milham, Michael P

2008-12-17

Electrophysiological studies have long demonstrated a high degree of correlated activity between the left and right hemispheres, however little is known about regional variation in this interhemispheric coordination. Whereas cognitive models and neuroanatomical evidence suggest differences in coordination across primary sensory-motor cortices versus higher-order association areas, these have not been characterized. Here, we used resting-state functional magnetic resonance imaging data acquired from 62 healthy volunteers to examine interregional correlation in spontaneous low-frequency hemodynamic fluctuations. Using a probabilistic atlas, we correlated probability-weighted time series from 112 regions comprising the entire cerebrum. We then examined regional variation in correlated activity between homotopic regions, contrasting primary sensory-motor cortices, unimodal association areas, and heteromodal association areas. Consistent with previous studies, robustly correlated spontaneous activity was noted between all homotopic regions, which was significantly higher than that between nonhomotopic (heterotopic and intrahemispheric) regions. We further demonstrated substantial regional variation in homotopic interhemispheric correlations that was highly consistent across subjects. Specifically, there was a gradient of interhemispheric correlation, with highest correlations across primary sensory-motor cortices (0.758, SD=0.152), significantly lower correlations across unimodal association areas (0.597, SD=0.230) and still lower correlations across heteromodal association areas (0.517, SD=0.226). These results demonstrate functional differences in interhemispheric coordination related to the brain's hierarchical subdivisions. Synchrony across primary cortices may reflect networks engaged in bilateral sensory integration and motor coordination, whereas lower coordination across heteromodal association areas is consistent with functional lateralization of these regions. This novel method of examining interhemispheric coordination may yield insights regarding diverse disease processes as well as healthy development.

THE REBOUND CONDITION OF DUST AGGREGATES REVEALED BY NUMERICAL SIMULATION OF THEIR COLLISIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wada, Koji; Tanaka, Hidekazu; Yamamoto, Tetsuo

2011-08-10

Collisional growth of dust aggregates is a plausible root of planetesimals forming in protoplanetary disks. However, a rebound of colliding dust aggregates prevents dust from growing into planetesimals. In fact, rebounding aggregates are observed in laboratory experiments but not in previous numerical simulations. Therefore, the condition of rebound between dust aggregates should be clarified to better understand the processes of dust growth and planetesimal formation. We have carried out numerical simulations of aggregate collisions for various types of aggregates and succeeded in reproducing a rebound of colliding aggregates under specific conditions. Our finding is that in the rebound process, themore » key factor of the aggregate structure is the coordination number, namely, the number of particles in contact with a particle. A rebound is governed by the energy dissipation along with restructuring of the aggregates and a large coordination number inhibits the restructuring at collisions. Results of our numerical simulation for various aggregates indicate that they stick to each other when the mean coordination number is less than 6, regardless of their materials and structures, as long as their collision velocity is less than the critical velocity for fragmentation. This criterion of the coordination number would correspond to a filling factor of {approx}0.3, which is somewhat larger than that reported in laboratory experiments. In protoplanetary disks, dust aggregates are expected to have low bulk densities (<0.1 g cm{sup -3}) during their growth, which would prevent dust aggregates from rebounding. This result supports the formation of planetesimals with direct dust growth in protoplanetary disks.« less

Generalized quantum Fokker-Planck, diffusion, and Smoluchowski equations with true probability distribution functions.

PubMed

Banik, Suman Kumar; Bag, Bidhan Chandra; Ray, Deb Shankar

2002-05-01

Traditionally, quantum Brownian motion is described by Fokker-Planck or diffusion equations in terms of quasiprobability distribution functions, e.g., Wigner functions. These often become singular or negative in the full quantum regime. In this paper a simple approach to non-Markovian theory of quantum Brownian motion using true probability distribution functions is presented. Based on an initial coherent state representation of the bath oscillators and an equilibrium canonical distribution of the quantum mechanical mean values of their coordinates and momenta, we derive a generalized quantum Langevin equation in c numbers and show that the latter is amenable to a theoretical analysis in terms of the classical theory of non-Markovian dynamics. The corresponding Fokker-Planck, diffusion, and Smoluchowski equations are the exact quantum analogs of their classical counterparts. The present work is independent of path integral techniques. The theory as developed here is a natural extension of its classical version and is valid for arbitrary temperature and friction (the Smoluchowski equation being considered in the overdamped limit).

Freezing lines of colloidal Yukawa spheres. II. Local structure and characteristic lengths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gapinski, Jacek, E-mail: gapinski@amu.edu.pl; Patkowski, Adam; NanoBioMedical Center, A. Mickiewicz University, Umultowska 85, 61-614 Poznań

Using the Rogers-Young (RY) integral equation scheme for the static pair correlation functions combined with the liquid-phase Hansen-Verlet freezing rule, we study the generic behavior of the radial distribution function and static structure factor of monodisperse charge-stabilized suspensions with Yukawa-type repulsive particle interactions at freezing. In a related article, labeled Paper I [J. Gapinski, G. Nägele, and A. Patkowski, J. Chem. Phys. 136, 024507 (2012)], this hybrid method was used to determine two-parameter freezing lines for experimentally controllable parameters, characteristic of suspensions of charged silica spheres in dimethylformamide. A universal scaling of the RY radial distribution function maximum is shownmore » to apply to the liquid-bcc and liquid-fcc segments of the universal freezing line. A thorough analysis is made of the behavior of characteristic distances and wavenumbers, next-neighbor particle coordination numbers, osmotic compressibility factor, and the Ravaché-Mountain-Streett minimum-maximum radial distribution function ratio.« less

Load Sharing in Anti-Air Warfare Coordination: Criteria and a Simulation Test Plan

DTIC Science & Technology

1991-09-01

NAVAL POSTGRADUATE SCHOOL Monterey, California AD-A245 968 DTIG EB 18 199Z THESIS L LOAD SHARING IN ANTI-AIR WARFARE COORDINATION: CRITERIA AND A...REPORT NUMBER(S) Ga. NAME OF PERFORMING ORGANIZATION Gb. OFFICE SYMBOL 71. NAME OF MONITORING ORGANIZATION Naval Postgraduate School OR 6c. ADDRESS...the degree of MASTER OF SCIENCE IN OPERATIONS RESEARCH from the NAVAL POSTGRADUATE SCHOOL September 1991 Au thor: ’ysviL-’ / ; d Stephen Hue Keley

Bimanual Motor Coordination in Older Adults Is Associated with Increased Functional Brain Connectivity – A Graph-Theoretical Analysis

PubMed Central

Heitger, Marcus H.; Goble, Daniel J.; Dhollander, Thijs; Dupont, Patrick; Caeyenberghs, Karen; Leemans, Alexander; Sunaert, Stefan; Swinnen, Stephan P.

2013-01-01

In bimanual coordination, older and younger adults activate a common cerebral network but the elderly also have additional activation in a secondary network of brain areas to master task performance. It remains unclear whether the functional connectivity within these primary and secondary motor networks differs between the old and the young and whether task difficulty modulates connectivity. We applied graph-theoretical network analysis (GTNA) to task-driven fMRI data in 16 elderly and 16 young participants using a bimanual coordination task including in-phase and anti-phase flexion/extension wrist movements. Network nodes for the GTNA comprised task-relevant brain areas as defined by fMRI activation foci. The elderly matched the motor performance of the young but showed an increased functional connectivity in both networks across a wide range of connectivity metrics, i.e., higher mean connectivity degree, connection strength, network density and efficiency, together with shorter mean communication path length between the network nodes and also a lower betweenness centrality. More difficult movements showed an increased connectivity in both groups. The network connectivity of both groups had “small world” character. The present findings indicate (a) that bimanual coordination in the aging brain is associated with a higher functional connectivity even between areas also activated in young adults, independently from task difficulty, and (b) that adequate motor coordination in the context of task-driven bimanual control in older adults may not be solely due to additional neural recruitment but also to aging-related changes of functional relationships between brain regions. PMID:23637982

Solvent-assisted multistage nonequilibrium electron transfer in rigid supramolecular systems: Diabatic free energy surfaces and algorithms for numerical simulations

NASA Astrophysics Data System (ADS)

Feskov, Serguei V.; Ivanov, Anatoly I.

2018-03-01

An approach to the construction of diabatic free energy surfaces (FESs) for ultrafast electron transfer (ET) in a supramolecule with an arbitrary number of electron localization centers (redox sites) is developed, supposing that the reorganization energies for the charge transfers and shifts between all these centers are known. Dimensionality of the coordinate space required for the description of multistage ET in this supramolecular system is shown to be equal to N - 1, where N is the number of the molecular centers involved in the reaction. The proposed algorithm of FES construction employs metric properties of the coordinate space, namely, relation between the solvent reorganization energy and the distance between the two FES minima. In this space, the ET reaction coordinate zn n' associated with electron transfer between the nth and n'th centers is calculated through the projection to the direction, connecting the FES minima. The energy-gap reaction coordinates zn n' corresponding to different ET processes are not in general orthogonal so that ET between two molecular centers can create nonequilibrium distribution, not only along its own reaction coordinate but along other reaction coordinates too. This results in the influence of the preceding ET steps on the kinetics of the ensuing ET. It is important for the ensuing reaction to be ultrafast to proceed in parallel with relaxation along the ET reaction coordinates. Efficient algorithms for numerical simulation of multistage ET within the stochastic point-transition model are developed. The algorithms are based on the Brownian simulation technique with the recrossing-event detection procedure. The main advantages of the numerical method are (i) its computational complexity is linear with respect to the number of electronic states involved and (ii) calculations can be naturally parallelized up to the level of individual trajectories. The efficiency of the proposed approach is demonstrated for a model supramolecular system involving four redox centers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frankaer, Christian Grundahl; Mossin, Susanne; Ståhl, Kenny

The level of structural detail around the metal sites in Ni{sup 2+} and Cu{sup 2+} T{sub 6} insulin derivatives was significantly improved by using a combination of single-crystal X-ray crystallography and X-ray absorption spectroscopy. Photoreduction and subsequent radiation damage of the Cu{sup 2+} sites in Cu insulin was followed by XANES spectroscopy. Using synchrotron radiation (SR), the crystal structures of T{sub 6} bovine insulin complexed with Ni{sup 2+} and Cu{sup 2+} were solved to 1.50 and 1.45 Å resolution, respectively. The level of detail around the metal centres in these structures was highly limited, and the coordination of water inmore » Cu site II of the copper insulin derivative was deteriorated as a consequence of radiation damage. To provide more detail, X-ray absorption spectroscopy (XAS) was used to improve the information level about metal coordination in each derivative. The nickel derivative contains hexacoordinated Ni{sup 2+} with trigonal symmetry, whereas the copper derivative contains tetragonally distorted hexacoordinated Cu{sup 2+} as a result of the Jahn–Teller effect, with a significantly longer coordination distance for one of the three water molecules in the coordination sphere. That the copper centre is of type II was further confirmed by electron paramagnetic resonance (EPR). The coordination distances were refined from EXAFS with standard deviations within 0.01 Å. The insulin derivative containing Cu{sup 2+} is sensitive towards photoreduction when exposed to SR. During the reduction of Cu{sup 2+} to Cu{sup +}, the coordination geometry of copper changes towards lower coordination numbers. Primary damage, i.e. photoreduction, was followed directly by XANES as a function of radiation dose, while secondary damage in the form of structural changes around the Cu atoms after exposure to different radiation doses was studied by crystallography using a laboratory diffractometer. Protection against photoreduction and subsequent radiation damage was carried out by solid embedment of Cu insulin in a saccharose matrix. At 100 K the photoreduction was suppressed by ∼15%, and it was suppressed by a further ∼30% on cooling the samples to 20 K.« less

Dependency of geodynamic parameters on the GNSS constellation

NASA Astrophysics Data System (ADS)

Scaramuzza, Stefano; Dach, Rolf; Beutler, Gerhard; Arnold, Daniel; Sušnik, Andreja; Jäggi, Adrian

2018-01-01

Significant differences in time series of geodynamic parameters determined with different Global Navigation Satellite Systems (GNSS) exist and are only partially explained. We study whether the different number of orbital planes within a particular GNSS contributes to the observed differences by analyzing time series of geocenter coordinates (GCCs) and pole coordinates estimated from several real and virtual GNSS constellations: GPS, GLONASS, a combined GPS/GLONASS constellation, and two virtual GPS sub-systems, which are obtained by splitting up the original GPS constellation into two groups of three orbital planes each. The computed constellation-specific GCCs and pole coordinates are analyzed for systematic differences, and their spectral behavior and formal errors are inspected. We show that the number of orbital planes barely influences the geocenter estimates. GLONASS' larger inclination and formal errors of the orbits seem to be the main reason for the initially observed differences. A smaller number of orbital planes may lead, however, to degradations in the estimates of the pole coordinates. A clear signal at three cycles per year is visible in the spectra of the differences between our estimates of the pole coordinates and the corresponding IERS 08 C04 values. Combinations of two 3-plane systems, even with similar ascending nodes, reduce this signal. The understanding of the relation between the satellite constellations and the resulting geodynamic parameters is important, because the GNSS currently under development, such as the European Galileo and the medium Earth orbit constellation of the Chinese BeiDou system, also consist of only three orbital planes.

Functional connectivity in the neuromuscular system underlying bimanual coordination

PubMed Central

de Vries, Ingmar E. J.; Daffertshofer, Andreas; Stegeman, Dick F.

2016-01-01

Neural synchrony has been suggested as a mechanism for integrating distributed sensorimotor systems involved in coordinated movement. To test the role of corticomuscular and intermuscular coherence in bimanual coordination, we experimentally manipulated the degree of coordination between hand muscles by varying the sensitivity of the visual feedback to differences in bilateral force. In 16 healthy participants, cortical activity was measured using EEG and muscle activity of the flexor pollicis brevis of both hands using high-density electromyography (HDsEMG). Using the uncontrolled manifold framework, coordination between bilateral forces was quantified by the synergy index RV in the time and frequency domain. Functional connectivity was assessed using corticomuscular coherence between muscle activity and cortical source activity and intermuscular coherence between bilateral EMG activity. The synergy index increased in the high coordination condition. RV was higher in the high coordination condition in frequencies between 0 and 0.5 Hz; for the 0.5- to 2-Hz frequency band, this pattern was inverted. Corticomuscular coherence in the beta band (16–30 Hz) was maximal in the contralateral motor cortex and was reduced in the high coordination condition. In contrast, intermuscular coherence was observed at 5–12 Hz and increased with bimanual coordination. Within-subject comparisons revealed a negative correlation between RV and corticomuscular coherence and a positive correlation between RV and intermuscular coherence. Our findings suggest two distinct neural pathways: 1) corticomuscular coherence reflects direct corticospinal projections involved in controlling individual muscles; and 2) intermuscular coherence reflects diverging pathways involved in the coordination of multiple muscles. PMID:27628205

aCGH Local Copy Number Aberrations Associated with Overall Copy Number Genomic Instability in Colorectal Cancer: Coordinate Involvement of the Regions Including BCR and ABL

PubMed Central

Bartos, Jeremy D.; Gaile, Daniel P.; McQuaid, Devin E.; Conroy, Jeffrey M.; Darbary, Huferesh; Nowak, Norma J.; Block, Annemarie; Petrelli, Nicholas J.; Mittelman, Arnold; Stoler, Daniel L.; Anderson, Garth R.

2007-01-01

In order to identify small regions of the genome whose specific copy number alteration is associated with high genomic instability in the form of overall genome-wide copy number aberrations, we have analyzed array-based comparative genomic hybridization (aCGH) data from 33 sporadic colorectal carcinomas. Copy number changes of a small number of specific regions were significantly correlated with elevated overall amplifications and deletions scattered throughout the entire genome. One significant region at 9q34 includes the c-ABL gene Another region spanning 22q11–13 includes the breakpoint cluster region (BCR) of the Philadelphia chromosome Coordinate 22q11–13 alterations were observed in nine of eleven tumors with the 9q34 alteration Additional regions on 1q and 14q were associated with overall genome-wide copy number changes, while copy number aberrations on chromosome 7p, 7q, and 13q21.1–31.3 were found associated with this instability only in tumors from patients with a smoking history Our analysis demonstrates there are a small number of regions of the genome where gain or loss is commonly associated with a tumor’s overall level of copy number aberrations Our finding BCR and ABL located within two of the instability-associated regions, and the involvement of these two regions occurring coordinately, suggests a system akin to the BCR-ABL translocation of CML may be involved in genomic instability in about one-third of human colorectal carcinomas. PMID:17196995

Multimodal Preception and Multicriterion Control of Nested Systems. 3; A Functional Visual Assessment Test for Human Health Maintenance and Countermeasure Evaluation

NASA Technical Reports Server (NTRS)

Riccio, Gary E.; McDonald, P. Vernon; Bloomberg, Jacob

1999-01-01

Our theoretical and empirical research on the whole-body coordination during locomotion led to a Phase 1 SBIR grant from NASA JSC. The purpose of the SBIR grant was to design an innovative system for evaluating eye-head-trunk coordination during whole-body perturbations that are characteristic of locomotion. The approach we used to satisfy the Phase 1 objectives was based on a structured methodology for the development of human-systems technology. Accordingly the project was broken down into a number of tasks and subtasks. In sequence, the major tasks were: (1) identify needs for functional assessment of visual acuity under conditions involving whole-body perturbation within the NASA Space Medical Monitoring and Countermeasures (SMMaC) program and in other related markets; (2) analyze the needs into the causes and symptoms of impaired visual acuity under conditions involving whole-body perturbation; (3) translate the analyzed needs into technology requirements for the Functional Visual Assessment Test (FVAT); (4) identify candidate technology solutions and implementations of FVAT; and (5) prioritize and select technology solutions. The work conducted in these tasks is described in this final volume of the series on Multimodal Perception and Multicriterion Control of Nested Systems. While prior volumes (1 and 2) in the series focus on theoretical foundations and novel data-analytic techniques, this volume addresses technology that is necessary for minimally intrusive data collection and near-real-time data analysis and display.

An anatomically based protocol for the description of foot segment kinematics during gait.

PubMed

Leardini, A; Benedetti, M G; Catani, F; Simoncini, L; Giannini, S

1999-10-01

To design a technique for the in vivo description of ankle and other foot joint rotations to be applied in routine functional evaluation using non-invasive stereophotogrammetry. Position and orientation of tibia/fibula, calcaneus, mid-foot, 1st metatarsal and hallux segments were tracked during the stance phase of walking in nine asymptomatic subjects. Rigid clusters of reflective markers were used for foot segment pose estimation. Anatomical landmark calibration was applied for the reconstruction of anatomical landmarks. Previous studies have analysed only a limited number of joints or have proposed invasive techniques. Anatomical landmark trajectories were reconstructed in the laboratory frame using data from the anatomical calibration procedure. Anatomical co-ordinate frames were defined using the obtained landmark trajectories. Joint co-ordinate systems were used to calculate corresponding joint rotations in all three anatomical planes. The patterns of the joint rotations were highly repeatable within subjects. Consistent patterns between subjects were also exhibited at most of the joints. The method proposed enables a detailed description of ankle and other foot joint rotations on an anatomical base. Joint rotations can therefore be expressed in the well-established terminology necessary for their clinical interpretation. Functional evaluation of patients affected by foot diseases has recently called for more detailed and non-invasive protocols for the description of foot joint rotations during gait. The proposed method can help clinicians to distinguish between normal and pathological pattern of foot joint rotations, and to quantitatively assess the restoration of normal function after treatment.

Inference and representations of hand actions through grasping synergies. Comment on "Grasping synergies: A motor-control approach to the mirror neuron mechanism" by D'Ausilio, Bartoli, and Maffongelli

NASA Astrophysics Data System (ADS)

Santello, Marco

2015-03-01

The concept of synergy, denoting the coordination of multiple elements working together toward a common goal, has been extensively studied to understand how the central nervous system (CNS) controls movement (for review see [5,9]). Although this definition is appealing in its simplicity, 'multiple elements', 'working together', and 'common goal' each take different meanings depending on the scale at which a given sensorimotor system is studied, whether the 'working together' is defined in spatial and/or temporal domains, and the hypothesized synergy's 'common goal'. For example, the elements involved in a synergy can be defined as single motor units, muscles, or joints. Similarly, the goal of a synergy may be defined as a means available to the CNS to 'simplify' the control of multiple elements, or to minimize a given cost function or movement feature - all of which may differ across tasks and tasks conditions. These considerations underscore the fact that a universally accepted definition of synergies and their functional role remains to be established (for review see [6]). Thus, the nature and functional role(s) of synergies is still debated in the literature. Nevertheless, it is generally agreed that the reduction in the number of independent degrees of freedom that is manifested through synergies emerges from the interaction of biomechanical and neural factors constraining the spatial and temporal coordination of multiple muscles.

MD simulations of the formation of stable clusters in mixtures of alkaline salts and imidazolium-based ionic liquids.

PubMed

Méndez-Morales, Trinidad; Carrete, Jesús; Bouzón-Capelo, Silvia; Pérez-Rodríguez, Martín; Cabeza, Óscar; Gallego, Luis J; Varela, Luis M

2013-03-21

Structural and dynamical properties of room-temperature ionic liquids containing the cation 1-butyl-3-methylimidazolium ([BMIM](+)) and three different anions (hexafluorophosphate, [PF6](-), tetrafluoroborate, [BF4](-), and bis(trifluoromethylsulfonyl)imide, [NTf2](-)) doped with several molar fractions of lithium salts with a common anion at 298.15 K and 1 atm were investigated by means of molecular dynamics simulations. The effect of the size of the salt cation was also analyzed by comparing these results with those for mixtures of [BMIM][PF6] with NaPF6. Lithium/sodium solvation and ionic mobilities were analyzed via the study of radial distribution functions, coordination numbers, cage autocorrelation functions, mean-square displacements (including the analysis of both ballistic and diffusive regimes), self-diffusion coefficients of all the ionic species, velocity and current autocorrelation functions, and ionic conductivity in all the ionic liquid/salt systems. We found that lithium and sodium cations are strongly coordinated in two different positions with the anion present in the mixture. Moreover, [Li](+) and [Na](+) cations were found to form bonded-like, long-lived aggregates with the anions in their first solvation shell, which act as very stable kinetic entities within which a marked rattling motion of salt ions takes place. With very long MD simulation runs, this phenomenon is proved to be on the basis of the decrease of self-diffusion coefficients and ionic conductivities previously reported in experimental and computational results.

Plastids Are Major Regulators of Light Signaling in Arabidopsis1[W][OA

PubMed Central

Ruckle, Michael E.; Burgoon, Lyle D.; Lawrence, Lauren A.; Sinkler, Christopher A.; Larkin, Robert M.

2012-01-01

We previously provided evidence that plastid signaling regulates the downstream components of a light signaling network and that this signal integration coordinates chloroplast biogenesis with both the light environment and development by regulating gene expression. We tested these ideas by analyzing light- and plastid-regulated transcriptomes in Arabidopsis (Arabidopsis thaliana). We found that the enrichment of Gene Ontology terms in these transcriptomes is consistent with the integration of light and plastid signaling (1) down-regulating photosynthesis and inducing both repair and stress tolerance in dysfunctional chloroplasts and (2) helping coordinate processes such as growth, the circadian rhythm, and stress responses with the degree of chloroplast function. We then tested whether factors that contribute to this signal integration are also regulated by light and plastid signals by characterizing T-DNA insertion alleles of genes that are regulated by light and plastid signaling and that encode proteins that are annotated as contributing to signaling, transcription, or no known function. We found that a high proportion of these mutant alleles induce chloroplast biogenesis during deetiolation. We quantified the expression of four photosynthesis-related genes in seven of these enhanced deetiolation (end) mutants and found that photosynthesis-related gene expression is attenuated. This attenuation is particularly striking for Photosystem II subunit S expression. We conclude that the integration of light and plastid signaling regulates a number of END genes that help optimize chloroplast function and that at least some END genes affect photosynthesis-related gene expression. PMID:22383539

Predicting Use of Nurse Care Coordination by Older Adults With Chronic Conditions.

PubMed

Vanderboom, Catherine E; Holland, Diane E; Mandrekar, Jay; Lohse, Christine M; Witwer, Stephanie G; Hunt, Vicki L

2017-07-01

To be effective, nurse care coordination must be targeted at individuals who will use the service. The purpose of this study was to identify variables that predicted use of care coordination by primary care patients. Data on the potential predictor variables were obtained from patient interviews, the electronic health record, and an administrative database of 178 adults eligible for care coordination. Use of care coordination was obtained from an administrative database. A multivariable logistic regression model was developed using a bootstrap sampling approach. Variables predicting use of care coordination were dependence in both activities of daily living (ADL) and instrumental activities of daily living (IADL; odds ratio [OR] = 5.30, p = .002), independent for ADL but dependent for IADL (OR = 2.68, p = .01), and number of prescription medications (OR = 1.12, p = .002). Consideration of these variables may improve identification of patients to target for care coordination.

Critical diversity: Divided or united states of social coordination

PubMed Central

Kelso, J. A. Scott; Tognoli, Emmanuelle

2018-01-01

Much of our knowledge of coordination comes from studies of simple, dyadic systems or systems containing large numbers of components. The huge gap ‘in between’ is seldom addressed, empirically or theoretically. We introduce a new paradigm to study the coordination dynamics of such intermediate-sized ensembles with the goal of identifying key mechanisms of interaction. Rhythmic coordination was studied in ensembles of eight people, with differences in movement frequency (‘diversity’) manipulated within the ensemble. Quantitative change in diversity led to qualitative changes in coordination, a critical value separating régimes of integration and segregation between groups. Metastable and multifrequency coordination between participants enabled communication across segregated groups within the ensemble, without destroying overall order. These novel findings reveal key factors underlying coordination in ensemble sizes previously considered too complicated or 'messy' for systematic study and supply future theoretical/computational models with new empirical checkpoints. PMID:29617371

47 CFR 95.1111 - Frequency coordination.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., title, office, phone number, fax number, e-mail address). (b) An authorized health care provider shall...) Modulation scheme used (including occupied bandwidth); (3) Effective radiated power; (4) Number of...) and model numbers); (5) Legal name of the authorized health care provider; (6) Location of transmitter...

Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number.

PubMed

Baldoví, José J; Gaita-Ariño, Alejandro; Coronado, Eugenio

2015-07-28

In a previous study, we introduced the Radial Effective Charge (REC) model to study the magnetic properties of lanthanide single ion magnets. Now, we perform an empirical determination of the effective charges (Zi) and radial displacements (Dr) of this model using spectroscopic data. This systematic study allows us to relate Dr and Zi with chemical factors such as the coordination number and the electronegativities of the metal and the donor atoms. This strategy is being used to drastically reduce the number of free parameters in the modeling of the magnetic and spectroscopic properties of f-element complexes.

Communication: Coordinate-dependent diffusivity from single molecule trajectories

NASA Astrophysics Data System (ADS)

Berezhkovskii, Alexander M.; Makarov, Dmitrii E.

2017-11-01

Single-molecule observations of biomolecular folding are commonly interpreted using the model of one-dimensional diffusion along a reaction coordinate, with a coordinate-independent diffusion coefficient. Recent analysis, however, suggests that more general models are required to account for single-molecule measurements performed with high temporal resolution. Here, we consider one such generalization: a model where the diffusion coefficient can be an arbitrary function of the reaction coordinate. Assuming Brownian dynamics along this coordinate, we derive an exact expression for the coordinate-dependent diffusivity in terms of the splitting probability within an arbitrarily chosen interval and the mean transition path time between the interval boundaries. This formula can be used to estimate the effective diffusion coefficient along a reaction coordinate directly from single-molecule trajectories.

New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4

NASA Astrophysics Data System (ADS)

Kozin, Igor N.; Law, Mark M.; Tennyson, Jonathan; Hutson, Jeremy M.

2004-11-01

A general computational method for the accurate calculation of rotationally and vibrationally excited states of tetraatomic molecules is developed. The resulting program is particularly appropriate for molecules executing wide-amplitude motions and isomerizations. The program offers a choice of coordinate systems based on Radau, Jacobi, diatom-diatom and orthogonal satellite vectors. The method includes all six vibrational dimensions plus three rotational dimensions. Vibration-rotation calculations with reduced dimensionality in the radial degrees of freedom are easily tackled via constraints imposed on the radial coordinates via the input file. Program summaryTitle of program: WAVR4 Catalogue number: ADUN Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUN Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: Persons requesting the program must sign the standard CPC nonprofit use license Computer: Developed under Tru64 UNIX, ported to Microsoft Windows and Sun Unix Operating systems under which the program has been tested: Tru64 Unix, Microsoft Windows, Sun Unix Programming language used: Fortran 90 Memory required to execute with typical data: case dependent No. of lines in distributed program, including test data, etc.: 11 937 No. of bytes in distributed program, including test data, etc.: 84 770 Distribution format: tar.gz Nature of physical problem: WAVR4 calculates the bound ro-vibrational levels and wavefunctions of a tetraatomic system using body-fixed coordinates based on generalised orthogonal vectors. Method of solution: The angular coordinates are treated using a finite basis representation (FBR) based on products of spherical harmonics. A discrete variable representation (DVR) [1] based on either Morse-oscillator-like or spherical-oscillator functions [2] is used for the radial coordinates. Matrix elements are computed using an efficient Gaussian quadrature in the angular coordinates and the DVR approximation in the radial coordinates. The solution of the secular problem is carried through a series of intermediate diagonalisations and truncations. Restrictions on the complexity of the problem: (1) The size of the final Hamiltonian matrix that can be practically diagonalised; (2) The DVR approximation for a radial coordinate fails for values of the coordinate near zero—this is remedied only for one radial coordinate by using analytical integration. Typical running time: problem-dependent Unusual features of the program: A user-supplied subroutine to evaluate the potential energy is a program requirement. External routines: BLAS and LAPACK are required. References: [1] J.C. Light, I.P. Hamilton, J.V. Lill, J. Chem. Phys. 92 (1985) 1400. [2] J.R. Henderson, C.R. Le Sueur, J. Tennyson, Comp. Phys. Comm. 75 (1993) 379.

Two charges on plane in a magnetic field I. “Quasi-equal” charges and neutral quantum system at rest cases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Escobar-Ruiz, M.A., E-mail: mauricio.escobar@nucleares.unam.mx; Turbiner, A.V., E-mail: turbiner@nucleares.unam.mx

Low-lying bound states for the problem of two Coulomb charges of finite masses on a plane subject to a constant magnetic field B perpendicular to the plane are considered. Major emphasis is given to two systems: two charges with the equal charge-to-mass ratio (quasi-equal charges) and neutral systems with concrete results for the hydrogen atom and two electrons (quantum dot). It is shown that for these two cases, when a neutral system is at rest (the center-of-mass momentum is zero), some outstanding properties occur: in double polar coordinates in CMS (R,ϕ) and relative (ρ,φ) coordinate systems (i) the eigenfunctions aremore » factorizable, all factors except for ρ-dependent are found analytically, they have definite relative angular momentum, (ii) dynamics in ρ-direction is the same for both systems being described by a funnel-type potential; (iii) at some discrete values of dimensionless magnetic fields b≤1 the system becomes quasi-exactly-solvable and a finite number of eigenfunctions in ρ are polynomials. The variational method is employed. Trial functions are based on combining for the phase of a wavefunction (a) the WKB expansion at large distances, (b) the perturbation theory at small distances (c) with a form of the known analytically (quasi-exactly-solvable) eigenfunctions. Such a form of trial function appears as a compact uniform approximation for lowest eigenfunctions. For the lowest states with relative magnetic quantum numbers s=0,1,2 this approximation gives not less than 7 s.d., 8 s.d., 9 s.d., respectively, for the total energy E(B) for magnetic fields 0.049a.u.« less

Parallel Ellipsoidal Perfectly Matched Layers for Acoustic Helmholtz Problems on Exterior Domains

DOE PAGES

Bunting, Gregory; Prakash, Arun; Walsh, Timothy; ...

2018-01-26

Exterior acoustic problems occur in a wide range of applications, making the finite element analysis of such problems a common practice in the engineering community. Various methods for truncating infinite exterior domains have been developed, including absorbing boundary conditions, infinite elements, and more recently, perfectly matched layers (PML). PML are gaining popularity due to their generality, ease of implementation, and effectiveness as an absorbing boundary condition. PML formulations have been developed in Cartesian, cylindrical, and spherical geometries, but not ellipsoidal. In addition, the parallel solution of PML formulations with iterative solvers for the solution of the Helmholtz equation, and howmore » this compares with more traditional strategies such as infinite elements, has not been adequately investigated. In this study, we present a parallel, ellipsoidal PML formulation for acoustic Helmholtz problems. To faciliate the meshing process, the ellipsoidal PML layer is generated with an on-the-fly mesh extrusion. Though the complex stretching is defined along ellipsoidal contours, we modify the Jacobian to include an additional mapping back to Cartesian coordinates in the weak formulation of the finite element equations. This allows the equations to be solved in Cartesian coordinates, which is more compatible with existing finite element software, but without the necessity of dealing with corners in the PML formulation. Herein we also compare the conditioning and performance of the PML Helmholtz problem with infinite element approach that is based on high order basis functions. On a set of representative exterior acoustic examples, we show that high order infinite element basis functions lead to an increasing number of Helmholtz solver iterations, whereas for PML the number of iterations remains constant for the same level of accuracy. Finally, this provides an additional advantage of PML over the infinite element approach.« less

Parallel Ellipsoidal Perfectly Matched Layers for Acoustic Helmholtz Problems on Exterior Domains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunting, Gregory; Prakash, Arun; Walsh, Timothy

Exterior acoustic problems occur in a wide range of applications, making the finite element analysis of such problems a common practice in the engineering community. Various methods for truncating infinite exterior domains have been developed, including absorbing boundary conditions, infinite elements, and more recently, perfectly matched layers (PML). PML are gaining popularity due to their generality, ease of implementation, and effectiveness as an absorbing boundary condition. PML formulations have been developed in Cartesian, cylindrical, and spherical geometries, but not ellipsoidal. In addition, the parallel solution of PML formulations with iterative solvers for the solution of the Helmholtz equation, and howmore » this compares with more traditional strategies such as infinite elements, has not been adequately investigated. In this study, we present a parallel, ellipsoidal PML formulation for acoustic Helmholtz problems. To faciliate the meshing process, the ellipsoidal PML layer is generated with an on-the-fly mesh extrusion. Though the complex stretching is defined along ellipsoidal contours, we modify the Jacobian to include an additional mapping back to Cartesian coordinates in the weak formulation of the finite element equations. This allows the equations to be solved in Cartesian coordinates, which is more compatible with existing finite element software, but without the necessity of dealing with corners in the PML formulation. Herein we also compare the conditioning and performance of the PML Helmholtz problem with infinite element approach that is based on high order basis functions. On a set of representative exterior acoustic examples, we show that high order infinite element basis functions lead to an increasing number of Helmholtz solver iterations, whereas for PML the number of iterations remains constant for the same level of accuracy. Finally, this provides an additional advantage of PML over the infinite element approach.« less

Singing by male and female Kloss gibbons (Hylobates klossii) in the Peleonan Forest, Siberut Island, Indonesia.

PubMed

Dooley, Helen M; Judge, Debra S; Schmitt, Lincoln H

2013-01-01

Kloss gibbons (Hylobates klossii) are endemic to the Mentawai Islands in Indonesia and are one of only two gibbon species in which mated pairs do not sing duets. This is the first long-term study of the factors influencing the singing activity of Kloss gibbons within a northern Siberut Island population and follows two previous studies in central Siberut nearly 30 years ago. We collected data on the presence/absence of male and female singing within the study area on 198 days and within a focal group on 47 days. Rainfall during the time period in which they normally sing inhibits singing in both males and females. Our study supports the hypothesis that male and female songs function in intrasexual resource defence, as singing is associated with singing by same-sex neighbours, and same-sex choruses are more likely to occur after one or more days of silence (from that sex), suggesting there is pressure for individuals to communicate with same-sex neighbours regularly. Singing was not coordinated within a mated pair, suggesting that vocal coordination of the pair has been lost with the loss of the duet and that Kloss gibbon songs do not convey information to neighbours about the strength of the pair bond. On days when males sang predawn, females were more likely to sing after dawn and earlier in the morning. Additionally, the number of groups singing in female choruses was positively associated with the number of males that had sung in the predawn male chorus. We suggest that female songs have an intersexual territory defence as well as an intrasexual function.

Biogenesis of light harvesting proteins.

PubMed

Dall'Osto, Luca; Bressan, Mauro; Bassi, Roberto

2015-09-01

The LHC family includes nuclear-encoded, integral thylakoid membrane proteins, most of which coordinate chlorophyll and xanthophyll chromophores. By assembling with the core complexes of both photosystems, LHCs form a flexible peripheral moiety for enhancing light-harvesting cross-section, regulating its efficiency and providing protection against photo-oxidative stress. Upon its first appearance, LHC proteins underwent evolutionary diversification into a large protein family with a complex genetic redundancy. Such differentiation appears as a crucial event in the adaptation of photosynthetic organisms to changing environmental conditions and land colonization. The structure of photosystems, including nuclear- and chloroplast-encoded subunits, presented the cell with a number of challenges for the control of the light harvesting function. Indeed, LHC-encoding messages are translated in the cytosol, and pre-proteins imported into the chloroplast, processed to their mature size and targeted to the thylakoids where are assembled with chromophores. Thus, a tight coordination between nuclear and plastid gene expression, in response to environmental stimuli, is required to adjust LHC composition during photoacclimation. In recent years, remarkable progress has been achieved in elucidating structure, function and regulatory pathways involving LHCs; however, a number of molecular details still await elucidation. In this review, we will provide an overview on the current knowledge on LHC biogenesis, ranging from organization of pigment-protein complexes to the modulation of gene expression, import and targeting to the photosynthetic membranes, and regulation of LHC assembly and turnover. Genes controlling these events are potential candidate for biotechnological applications aimed at optimizing light use efficiency of photosynthetic organisms. This article is part of a Special Issue entitled: Chloroplast biogenesis. Copyright © 2015 Elsevier B.V. All rights reserved.

Simulation of water solutions of Ni 2+ at infinite dilution

NASA Astrophysics Data System (ADS)

Natália, M.; Cordeiro, D. S.; Ignaczak, Anna; Gomes, José A. N. F.

1993-10-01

A new ab initio pair potential is developed to describe the nickel—water interactions in Ni(II) aqueous solutions. Results of Monte Carlo simulations for the Ni(II)(H 2O) 200 system are presented for this pair potential with and without three-body classical polarization terms (the water—water interaction is described by the ab initio MCY potential). The structure of the solution around Ni(II) is discussed in terms of radial distribution functions, coordination numbers and thermal ellipsoids. The results show that the three-body terms have a non-negligible effect on the simulated solution. In fact, the experimental coordination number of six is reproduced with the full potential while a higher value is predicted when the simple pairwise-additive potential is used. The equilibrium NiO distance for the first hydration shell is also dependent on the use of the three-body terms. Comparison of our distribution functions with those obtained by neutron-diffraction experiments shows a reasonable quantitative agreement. Statistical pattern recognition analysis has also been applied to our simulations in order to better understand the local thermal motion of the water molecules around the metal ion. In this way, thermal ellipsoids have been computed (and graphically displayed) for each atom of the water molecules belonging to the Ni(II) first hydration shell. This analysis revealed that the twisting and bending motions are greater than the radial motion, and that the hydrogens have a higher mobility than the oxygens. In addition, a thermodynamic perturbation method has been incorporated in our Monte Carlo procedure in order to compute the free energy of hydration for the Ni(II) ion. Agreement between these results and the experimental ones is also sufficiently reasonable to demonstrate the feasibility of this new potential for the nickel—water interactions.

Molecular dynamics study on the microscopic details of the evaporation of water.

PubMed

Mason, Phillip E

2011-06-16

Molecular dynamics simulations were conducted on a drop of water (containing 4890 TIP3P waters) at 350 K. About 70 evaporation events were found and characterized in enough detail to determine significant patterns relating to the mechanism of evaporation. It was found that in almost all evaporation events that a single, high-energy state immediately preceded the evaporation event. In ∼50% of the cases, this high-energy state involved a short oxygen-oxygen distance, suggesting a van der Waals collision, whereas in the remaining cases, a short hydrogen-hydrogen distance was found, suggesting an electrostatic "collision". Of the high-energy states that led to evaporation, about half occurred when the coordination number of water was 1, and about half, when the coordination number was 2. It was found that the 1-coordinated waters (∼1% of the surface waters) and 2-coordinated waters (6% of the surface waters) were responsible for almost all the evaporation events. © 2011 American Chemical Society

From clusters to bulk: A relativistic density functional investigation on a series of gold clusters Aun, n=6,…,147

NASA Astrophysics Data System (ADS)

Häberlen, Oliver D.; Chung, Sai-Cheong; Stener, Mauro; Rösch, Notker

1997-03-01

A series of gold clusters spanning the size range from Au6 through Au147 (with diameters from 0.7 to 1.7 nm) in icosahedral, octahedral, and cuboctahedral structure has been theoretically investigated by means of a scalar relativistic all-electron density functional method. One of the main objectives of this work was to analyze the convergence of cluster properties toward the corresponding bulk metal values and to compare the results obtained for the local density approximation (LDA) to those for a generalized gradient approximation (GGA) to the exchange-correlation functional. The average gold-gold distance in the clusters increases with their nuclearity and correlates essentially linearly with the average coordination number in the clusters. An extrapolation to the bulk coordination of 12 yields a gold-gold distance of 289 pm in LDA, very close to the experimental bulk value of 288 pm, while the extrapolated GGA gold-gold distance is 297 pm. The cluster cohesive energy varies linearly with the inverse of the calculated cluster radius, indicating that the surface-to-volume ratio is the primary determinant of the convergence of this quantity toward bulk. The extrapolated LDA binding energy per atom, 4.7 eV, overestimates the experimental bulk value of 3.8 eV, while the GGA value, 3.2 eV, underestimates the experiment by almost the same amount. The calculated ionization potentials and electron affinities of the clusters may be related to the metallic droplet model, although deviations due to the electronic shell structure are noticeable. The GGA extrapolation to bulk values yields 4.8 and 4.9 eV for the ionization potential and the electron affinity, respectively, remarkably close to the experimental polycrystalline work function of bulk gold, 5.1 eV. Gold 4f core level binding energies were calculated for sites with bulk coordination and for different surface sites. The core level shifts for the surface sites are all positive and distinguish among the corner, edge, and face-centered sites; sites in the first subsurface layer show still small positive shifts.

A novel method for improving the accuracy of coordinate transformation in multiple measurement systems

NASA Astrophysics Data System (ADS)

Liu, W. L.; Li, Y. W.

2017-09-01

Large-scale dimensional metrology usually requires a combination of multiple measurement systems, such as laser tracking, total station, laser scanning, coordinate measuring arm and video photogrammetry, etc. Often, the results from different measurement systems must be combined to provide useful results. The coordinate transformation is used to unify coordinate frames in combination; however, coordinate transformation uncertainties directly affect the accuracy of the final measurement results. In this paper, a novel method is proposed for improving the accuracy of coordinate transformation, combining the advantages of the best-fit least-square and radial basis function (RBF) neural networks. First of all, the configuration of coordinate transformation is introduced and a transformation matrix containing seven variables is obtained. Second, the 3D uncertainty of the transformation model and the residual error variable vector are established based on the best-fit least-square. Finally, in order to optimize the uncertainty of the developed seven-variable transformation model, we used the RBF neural network to identify the uncertainty of the dynamic, and unstructured, owing to its great ability to approximate any nonlinear function to the designed accuracy. Intensive experimental studies were conducted to check the validity of the theoretical results. The results show that the mean error of coordinate transformation decreased from 0.078 mm to 0.054 mm after using this method in contrast with the GUM method.

Evaluation of the Japanese Version of the Developmental Coordination Disorder Questionnaire as a Screening Tool for Clumsiness of Japanese Children

ERIC Educational Resources Information Center

Nakai, Akio; Miyachi, Taishi; Okada, Ryo; Tani, Iori; Nakajima, Shunji; Onishi, Masafumi; Fujita, Chikako; Tsujii, Masatsugu

2011-01-01

Developmental Coordination Disorder (DCD) is characterized by clumsiness and coordination difficulties. DCD interferes with academic performance and participation in physical activities and psychosocial functions, such as self-esteem, cognition, or emotion, from childhood through adolescence to adulthood. DCD is a common pediatric condition and…

A multicopper oxidase-related protein is essential for insect viability, longevity and ovary development.

PubMed

Peng, Zeyu; Green, Peter G; Arakane, Yasuyuki; Kanost, Michael R; Gorman, Maureen J

2014-01-01

Typical multicopper oxidases (MCOs) have ten conserved histidines and one conserved cysteine that coordinate four copper atoms. These copper ions are required for oxidase activity. During our studies of insect MCOs, we discovered a gene that we named multicopper oxidase-related protein (MCORP). MCORPs share sequence similarity with MCOs, but lack many of the copper-coordinating residues. We identified MCORP orthologs in many insect species, but not in other invertebrates or vertebrates. We predicted that MCORPs would lack oxidase activity due to the absence of copper-coordinating residues. To test this prediction, we purified recombinant Tribolium castaneum (red flour beetle) MCORP and analyzed its enzymatic activity using a variety of substrates. As expected, no oxidase activity was detected. To study MCORP function in vivo, we analyzed expression profiles of TcMCORP and Anopheles gambiae (African malaria mosquito) MCORP, and assessed RNAi-mediated knockdown phenotypes. We found that both MCORPs are constitutively expressed at a low level in all of the tissues we analyzed. Injection of TcMCORP dsRNA into larvae resulted in 100% mortality prior to adult eclosion, with death occurring mainly during the pharate pupal stage or late pharate adult stage. Injection of TcMCORP dsRNA into pharate pupae resulted in the death of approximately 20% of the treated insects during the pupal to adult transition and a greatly shortened life span for the remaining insects. In addition, knockdown of TcMCORP in females prevented oocyte maturation and, thus, greatly decreased the number of eggs laid. These results indicate that TcMCORP is an essential gene and that its function is required for reproduction. An understanding of the role MCORP plays in insect physiology may help to develop new strategies for controlling insect pests.

Group Coordination Support in Networked Multimedia Systems

DTIC Science & Technology

1999-12-01

GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S...51 2.3.3 Aggregation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54 2.4 Discussion...Hierarchical aggregation of concurrent sessions and corresponding session graph. 23 2.4 User attributes

Coordination Dynamics in Cognitive Neuroscience

PubMed Central

Bressler, Steven L.; Kelso, J. A. Scott

2016-01-01

Many researchers and clinicians in cognitive neuroscience hold to a modular view of cognitive function in which the cerebral cortex operates by the activation of areas with circumscribed elementary cognitive functions. Yet an ongoing paradigm shift to a dynamic network perspective is underway. This new viewpoint treats cortical function as arising from the coordination dynamics within and between cortical regions. Cortical coordination dynamics arises due to the unidirectional influences imposed on a cortical area by inputs from other areas that project to it, combined with the projection reciprocity that characterizes cortical connectivity and gives rise to reentrant processing. As a result, cortical dynamics exhibits both segregative and integrative tendencies and gives rise to both cooperative and competitive relations within and between cortical areas that are hypothesized to underlie the emergence of cognition in brains. PMID:27695395

Coordinated neuronal activity enhances corticocortical communication

PubMed Central

Zandvakili, Amin; Kohn, Adam

2015-01-01

Summary Relaying neural signals between cortical areas is central to cognition and sensory processing. The temporal coordination of activity in a source population has been suggested to determine corticocortical signaling efficacy, but others have argued that coordination is functionally irrelevant. We reasoned that if coordination significantly influenced signaling, spiking in downstream networks should be preceded by transiently elevated coordination in a source population. We developed a metric to quantify network coordination in brief epochs, and applied it to simultaneous recordings of neuronal populations in cortical areas V1 and V2 of the macaque monkey. Spiking in the input layers of V2 was preceded by brief epochs of elevated V1 coordination, but this was not the case in other layers of V2. Our results indicate that V1 coordination influences its signaling to direct downstream targets, but that coordinated V1 epochs do not propagate through multiple downstream networks as in some corticocortical signaling schemes. PMID:26291164

Microscopic description of quadrupole collectivity in neutron-rich nuclei across the N = 126 shell closure

NASA Astrophysics Data System (ADS)

Rodríguez-Guzmán, R.; Robledo, L. M.; Sharma, M. M.

2015-06-01

The quadrupole collectivity in Nd, Sm, Gd, Dy, Er, Yb, Hf and W nuclei with neutron numbers 122 ≤ N ≤ 156 is studied, both at the mean field level and beyond, using the Gogny energy density functional. Besides the robustness of the N = 126 neutron shell closure, it is shown that the onset of static deformations in those isotopic chains with increasing neutron number leads to an enhanced stability and further extends the corresponding two-neutron drip lines far beyond what could be expected from spherical calculations. Independence of the mean-field predictions with respect to the particular version of the Gogny energy density functional employed is demonstrated by comparing results based on the D1S and D1M parameter sets. Correlations beyond mean field are taken into account in the framework of the angular momentum projected generator coordinate method calculation. It is shown that N = 126 remains a robust neutron magic number when dynamical effects are included. The analysis of the collective wave functions, average deformations and excitation energies indicate that, with increasing neutron number, the zero-point quantum corrections lead to dominant prolate configurations in the 0{1/+}, 0{2/+}, 2{1/+} and 2{2/+} states of the studied nuclei. Moreover, those dynamical deformation effects provide an enhanced stability that further supports the mean-field predictions, corroborating a shift of the r-process path to higher neutron numbers. Beyond mean-field calculations provide a smaller shell gap at N = 126 than the mean-field one in good agreement with previous theoretical studies. However, the shell gap still remains strong enough in the two-neutron drip lines.

75 FR 6684 - Notice of Proposed Information Collection: Comment Request; Multifamily Housing Service...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-10

... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT [Docket No. FR-5380-N-02] Notice of Proposed Information Collection: Comment Request; Multifamily Housing Service Coordinator Grant AGENCY: Office of the... Information: Title of Proposal: Multifamily Housing Service Coordinator Program. OMB Control Number, if...

Decentralized control mechanism underlying interlimb coordination of millipedes.

PubMed

Kano, Takeshi; Sakai, Kazuhiko; Yasui, Kotaro; Owaki, Dai; Ishiguro, Akio

2017-04-04

Legged animals exhibit adaptive and resilient locomotion through interlimb coordination. The long-term goal of this study is to clarify the relationship between the number of legs and the inherent decentralized control mechanism for interlimb coordination. As a preliminary step, the study focuses on millipedes as they represent the species with the greatest number of legs among various animal species. A decentralized control mechanism involving local force feedback was proposed based on the qualitative findings of behavioural experiments in which responses to the removal of part of the terrain and leg amputation were observed. The proposed mechanism was implemented in a developed millipede-like robot to demonstrate that the robot can adapt to the removal of the part of the terrain and leg amputation in a manner similar to that in behavioural experiments.