Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.

PubMed

Banerjee, Rahul; Cukier, Robert I

2014-03-20

Conformational states and their interconversion pathways of the zwitterionic form of the pentapeptide Met-enkephalin (MetEnk) are identified. An explicit solvent molecular dynamics (MD) trajectory is used to construct a Markov state model (MSM) based on dihedral space clustering of the trajectory, and transition path theory (TPT) is applied to identify pathways between open and closed conformers. In the MD trajectory, only four of the eight backbone dihedrals exhibit bistable behavior. Defining a conformer as the string XXXX with X = "+" or "-" denoting, respectively, positive or negative values of a given dihedral angle and obtaining the populations of these conformers shows that only four conformers are highly populated, implying a strong correlation among these dihedrals. Clustering in dihedral space to construct the MSM finds the same four bistable dihedral angles. These state populations are very similar to those found directly from the MD trajectory. TPT is used to obtain pathways, parametrized by committor values, in dihedral state space that are followed in transitioning from closed to open states. Pathway costs are estimated by introducing a kinetics-based procedure that orders pathways from least (shortest) to greater cost paths. The least costly pathways in dihedral space are found to only involve the same XXXX set of dihedral angles, and the conformers accessed in the closed to open transition pathways are identified. For these major pathways, a correlation between reaction path progress (committors) and the end-to-end distance is identified. A dihedral space principal component analysis of the MD trajectory shows that the first three modes capture most of the overall fluctuation, and pick out the same four dihedrals having essentially all the weight in those modes. A MSM based on root-mean-square backbone clustering was also carried out, with good agreement found with dihedral clustering for the static information, but with results that differ

Design of Quiet Rotorcraft Approach Trajectories: Verification Phase

NASA Technical Reports Server (NTRS)

Padula, Sharon L.

2010-01-01

Flight testing that is planned for October 2010 will provide an opportunity to evaluate rotorcraft trajectory optimization techniques. The flight test will involve a fully instrumented MD-902 helicopter, which will be flown over an array of microphones. In this work, the helicopter approach trajectory is optimized via a multiobjective genetic algorithm to improve community noise, passenger comfort, and pilot acceptance. Previously developed optimization strategies are modified to accommodate new helicopter data and to increase pilot acceptance. This paper describes the MD-902 trajectory optimization plus general optimization strategies and modifications that are needed to reduce the uncertainty in noise predictions. The constraints that are imposed by the flight test conditions and characteristics of the MD-902 helicopter limit the testing possibilities. However, the insights that will be gained through this research will prove highly valuable.

TrackTable Trajectory Analysis

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

Wilson, Andrew T.

Tracktable is designed for analysis and rendering of the trajectories of moving objects such as planes, trains, automobiles and ships. Its purpose is to operate on large sets of trajectories (millions) to help a user detect, analyze and display patterns. It will also be used to disseminate trajectory research results from Sandia's PANTHER Grand Challenge LDRD.

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Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-06

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MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories

PubMed Central

2014-01-01

Background Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. Results On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. Conclusions MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes. PMID:25077693

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories.

PubMed

Abdel-Azeim, Safwat; Chermak, Edrisse; Vangone, Anna; Oliva, Romina; Cavallo, Luigi

2014-01-01

Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes.

Application of ensemble back trajectory and factor analysis methods to aerosol data from Fort Meade, MD: Implications for sources

NASA Astrophysics Data System (ADS)

Chen, L. A.; Doddridge, B. G.; Dickerson, R. R.

2001-12-01

As the primary field experiment for Maryland Aerosol Research and CHaracterization (MARCH-Atlantic) study, chemically speciated PM2.5 has been sampled at Fort Meade (FME, 39.10° N 76.74° W) since July 1999. FME is suburban, located in the middle of the bustling Baltimore-Washington corridor, which is generally downwind of the highly industrialized Midwest. Due to this unique sampling location, the PM2.5 observed at FME is expected to be of both local and regional sources, with relative contributions varying temporally. This variation, believed to be largely controlled by the meteorology, influences day-to-day or seasonal profiles of PM2.5 mass concentration and chemical composition. Air parcel back trajectories, which describe the path of air parcels traveling backward in time from site (receptor), reflect changes in the synoptic meteorological conditions. In this paper, an ensemble back trajectory method is employed to study the meteorology associated with each high/low PM2.5 episode in different seasons. For every sampling day, the residence time of air parcels within the eastern US at a 1° x 1° x 500 m geographic resolution can be estimated in order to resolve areas likely dominating the production of various PM2.5 components. Local sources are found to be more dominant in winter than in summer. "Factor analysis" is based on mass balance approach, providing useful insights on air pollution data. Here, a newly developed factor analysis model (UNMIX) is used to extract source profiles and contributions from the speciated PM2.5 data. Combing the model results with ensemble back trajectory method improves the understanding of the source regions and helps partition the contributions from local or more distant areas. >http://www.meto.umd.edu/~bruce/MARCH-Atl.html

Dynamics of the GB3 loop regions from MD simulation: how much of it is real?

PubMed

Li, Tong; Jing, Qingqing; Yao, Lishan

2011-04-07

A total of 1.1 μs of molecular dynamics (MD) simulations were performed to study the structure and dynamics of protein GB3. The simulation motional amplitude of the loop regions is generally overestimated in comparison with the experimental backbone N-H order parameters S(2). Two-state behavior is observed for several residues in these regions, with the minor state population in the range of 3-13%. Further inspection suggests that the (φ, ψ) dihedral angles of the minor states deviate from the GB3 experimental values, implying the existence of nonnative states. After fitting the MD trajectories of these residues to the NMR RDCs, the minor state populations are significantly reduced by at least 80%, suggesting that MD simulations are strongly biased toward the minor states, thus overestimating the dynamics of the loop regions. The optimized trajectories produce intra, sequential H(N)-H(α) RDCs and intra (3)J(HNHα) that are not included in the trajectories fitting for these residues that are closer to the experimental data. Unlike GB3, 0.55 μs MD simulations of protein ubiquitin do not show distinctive minor states, and the derived NMR order parameters are better converged. Our findings indicate that the artifacts of the simulations depend on the specific system studied and that one should be cautious interpreting the enhanced dihedral dynamics from long MD simulations.

Analysis of MD5 authentication in various routing protocols using simulation tools

NASA Astrophysics Data System (ADS)

Dinakaran, M.; Darshan, K. N.; Patel, Harsh

2017-11-01

Authentication being an important paradigm of security and Computer Networks require secure paths to make the flow of the data even more secure through some security protocols. So MD-5(Message Digest 5) helps in providing data integrity to the data being sent through it and authentication to the network devices. This paper gives a brief introduction to the MD-5, simulation of the networks by including MD-5 authentication using various routing protocols like OSPF, EIGRP and RIPv2. GNS3 is being used to simulate the scenarios. Analysis of the MD-5 authentication is done in the later sections of the paper.

FATSLiM: a fast and robust software to analyze MD simulations of membranes.

PubMed

Buchoux, Sébastien

2017-01-01

When studying biological membranes, Molecular Dynamics (MD) simulations reveal to be quite complementary to experimental techniques. Because the simulated systems keep increasing both in size and complexity, the analysis of MD trajectories need to be computationally efficient while being robust enough to perform analysis on membranes that may be curved or deformed due to their size and/or protein-lipid interactions. This work presents a new software named FATSLiM ('Fast Analysis Toolbox for Simulations of Lipid Membranes') that can extract physical properties from MD simulations of membranes (with or without interacting proteins). Because it relies on the calculation of local normals, FATSLiM does not depend of the bilayer morphology and thus can handle with the same accuracy vesicles for instance. Thanks to an efficiency-driven development, it is also fast and consumes a rather low amount of memory. FATSLiM (http://fatslim.github.io) is a stand-alone software written in Python. Source code is released under the GNU GPLv3 and is freely available at https://github.com/FATSLiM/fatslim A complete online documentation including instructions for platform-independent installation is available at http://pythonhosted.org/fatslim CONTACT: sebastien.buchoux@u-picardie.frSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Construction, MD simulation, and hydrodynamic validation of an all-atom model of a monoclonal IgG antibody.

PubMed

Brandt, J Paul; Patapoff, Thomas W; Aragon, Sergio R

2010-08-04

At 150 kDa, antibodies of the IgG class are too large for their structure to be determined with current NMR methodologies. Because of hinge-region flexibility, it is difficult to obtain atomic-level structural information from the crystal, and questions regarding antibody structure and dynamics in solution remain unaddressed. Here we describe the construction of a model of a human IgG1 monoclonal antibody (trastuzumab) from the crystal structures of fragments. We use a combination of molecular-dynamics (MD) simulation, continuum hydrodynamics modeling, and experimental diffusion measurements to explore antibody behavior in aqueous solution. Hydrodynamic modeling provides a link between the atomic-level details of MD simulation and the size- and shape-dependent data provided by hydrodynamic measurements. Eight independent 40 ns MD trajectories were obtained with the AMBER program suite. The ensemble average of the computed transport properties over all of the MD trajectories agrees remarkably well with the value of the translational diffusion coefficient obtained with dynamic light scattering at 20 degrees C and 27 degrees C, and the intrinsic viscosity measured at 20 degrees C. Therefore, our MD results likely represent a realistic sampling of the conformational space that an antibody explores in aqueous solution. 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Ensemble MD simulations restrained via crystallographic data: Accurate structure leads to accurate dynamics

PubMed Central

Xue, Yi; Skrynnikov, Nikolai R

2014-01-01

Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989

Automated Sensitivity Analysis of Interplanetary Trajectories

NASA Technical Reports Server (NTRS)

Knittel, Jeremy; Hughes, Kyle; Englander, Jacob; Sarli, Bruno

2017-01-01

This work describes a suite of Python tools known as the Python EMTG Automated Trade Study Application (PEATSA). PEATSA was written to automate the operation of trajectory optimization software, simplify the process of performing sensitivity analysis, and was ultimately found to out-perform a human trajectory designer in unexpected ways. These benefits will be discussed and demonstrated on sample mission designs.

Mapping multiple potential ATP binding sites on the matrix side of the bovine ADP/ATP carrier by the combined use of MD simulation and docking.

PubMed

Di Marino, Daniele; Oteri, Francesco; della Rocca, Blasco Morozzo; D'Annessa, Ilda; Falconi, Mattia

2012-06-01

The mitochondrial adenosine diphosphate/adenosine triphosphate (ADP/ATP) carrier-AAC-was crystallized in complex with its specific inhibitor carboxyatractyloside (CATR). The protein consists of a six-transmembrane helix bundle that defines the nucleotide translocation pathway, which is closed towards the matrix side due to sharp kinks in the odd-numbered helices. In this paper, we describe the interaction between the matrix side of the AAC transporter and the ATP(4-) molecule using carrier structures obtained through classical molecular dynamics simulation (MD) and a protein-ligand docking procedure. Fifteen structures were extracted from a previously published MD trajectory through clustering analysis, and 50 docking runs were carried out for each carrier conformation, for a total of 750 runs ("MD docking"). The results were compared to those from 750 docking runs performed on the X-ray structure ("X docking"). The docking procedure indicated the presence of a single interaction site in the X-ray structure that was conserved in the structures extracted from the MD trajectory. MD docking showed the presence of a second binding site that was not found in the X docking. The interaction strategy between the AAC transporter and the ATP(4-) molecule was analyzed by investigating the composition and 3D arrangement of the interaction pockets, together with the orientations of the substrate inside them. A relationship between sequence repeats and the ATP(4-) binding sites in the AAC carrier structure is proposed.

PANTHER. Trajectory Analysis

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

Rintoul, Mark Daniel; Wilson, Andrew T.; Valicka, Christopher G.

We want to organize a body of trajectories in order to identify, search for, classify and predict behavior among objects such as aircraft and ships. Existing compari- son functions such as the Fr'echet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as total distance traveled and distance be- tween start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generallymore » be mapped easily to behaviors of interest to humans that are searching large databases. Most of these geometric features are invariant under rigid transformation. We demonstrate the use of different subsets of these features to iden- tify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories, predict destination and apply unsupervised machine learning algorithms.« less

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

PubMed Central

Hospital, Adam; Andrio, Pau; Cugnasco, Cesare; Codo, Laia; Becerra, Yolanda; Dans, Pablo D.; Battistini, Federica; Torres, Jordi; Goñi, Ramón; Orozco, Modesto; Gelpí, Josep Ll.

2016-01-01

Molecular dynamics simulation (MD) is, just behind genomics, the bioinformatics tool that generates the largest amounts of data, and that is using the largest amount of CPU time in supercomputing centres. MD trajectories are obtained after months of calculations, analysed in situ, and in practice forgotten. Several projects to generate stable trajectory databases have been developed for proteins, but no equivalence exists in the nucleic acids world. We present here a novel database system to store MD trajectories and analyses of nucleic acids. The initial data set available consists mainly of the benchmark of the new molecular dynamics force-field, parmBSC1. It contains 156 simulations, with over 120 μs of total simulation time. A deposition protocol is available to accept the submission of new trajectory data. The database is based on the combination of two NoSQL engines, Cassandra for storing trajectories and MongoDB to store analysis results and simulation metadata. The analyses available include backbone geometries, helical analysis, NMR observables and a variety of mechanical analyses. Individual trajectories and combined meta-trajectories can be downloaded from the portal. The system is accessible through http://mmb.irbbarcelona.org/BIGNASim/. Supplementary Material is also available on-line at http://mmb.irbbarcelona.org/BIGNASim/SuppMaterial/. PMID:26612862

Regional Influences of Marcellus Shale Natural Gas Activity: Back-trajectory Analysis of Baltimore/Washington Ethane Concentrations

NASA Astrophysics Data System (ADS)

Vinciguerra, T.; Chittams, A.; Dadzie, J.; Deskins, T.; Goncalves, V.; M'Bagui Matsanga, C.; Zakaria, R.; Ehrman, S.; Dickerson, R. R.

2015-12-01

Over the past several years, the combined utilization of hydraulic fracturing and horizontal drilling has led to a rapid increase in natural gas production, especially from the Marcellus Shale. To explore the impact of this activity downwind on regions with no natural gas production, the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) Model was used to generate 48-hour back-trajectories for summer, daytime hours from the years 2007-2014 in the Baltimore, MD and Washington, D.C. areas where hourly ethane measurements are available from Photochemical Assessment Monitoring Stations (PAMS). For each of the years investigated, unconventional well counts were obtained for counties in the surrounding states of Pennsylvania, Ohio, West Virginia, and Virginia, and counties exceeding a threshold of 0.05 wells/km2 were designated as counties with a high density of wells. The back-trajectories for each year were separated into two groups: those which passed through counties containing a high density of wells, and those which did not. Back-trajectories passing through high-density counties were further screened by applying a height criterion where trajectories beyond 10% above the mixing layer were excluded. Preliminary results indicate that air parcels with back-trajectories passing within the boundary layer of counties with a high density of unconventional natural gas wells correspond to significantly greater concentrations of observed ethane at these downwind monitors.

Refining Markov state models for conformational dynamics using ensemble-averaged data and time-series trajectories

NASA Astrophysics Data System (ADS)

Matsunaga, Y.; Sugita, Y.

2018-06-01

A data-driven modeling scheme is proposed for conformational dynamics of biomolecules based on molecular dynamics (MD) simulations and experimental measurements. In this scheme, an initial Markov State Model (MSM) is constructed from MD simulation trajectories, and then, the MSM parameters are refined using experimental measurements through machine learning techniques. The second step can reduce the bias of MD simulation results due to inaccurate force-field parameters. Either time-series trajectories or ensemble-averaged data are available as a training data set in the scheme. Using a coarse-grained model of a dye-labeled polyproline-20, we compare the performance of machine learning estimations from the two types of training data sets. Machine learning from time-series data could provide the equilibrium populations of conformational states as well as their transition probabilities. It estimates hidden conformational states in more robust ways compared to that from ensemble-averaged data although there are limitations in estimating the transition probabilities between minor states. We discuss how to use the machine learning scheme for various experimental measurements including single-molecule time-series trajectories.

Examining Summer Laboratory Research Apprenticeships for High School Students as a Factor in Entry to MD/PhD Programs at Matriculation

ERIC Educational Resources Information Center

Tai, Robert H.; Kong, Xiaoqing; Mitchell, Claire E.; Dabney, Katherine P.; Read, Daniel M.; Jeffe, Donna B.; Andriole, Dorothy A.; Wathington, Heather D.

2017-01-01

Do summer laboratory research apprenticeships during high school have an impact on entry into MD/PhD programs? Apart from the nearly decade-long span of time between high school and matriculation into an MD/PhD program, young people have many life-shaping experiences that presumably impact their education and career trajectories. This quantitative…

Swiss national MD-PhD-program: an outcome analysis.

PubMed

Kuehnle, Katrin; Winkler, David T; Meier-Abt, Peter J

2009-09-19

This study aims at a first evaluation of the outcome of the Swiss national MD-PhD program during the last 16 years. One hundred and twenty six former and current students in the Swiss national MD-PhD program were surveyed via a Web-based questionnaire in September 2007. Twenty-four questions assessed information regarding participant demographics, information on the PhD thesis and publication activity, current positions and research activity, as well as participant's opinions, attitudes and career goals. Eighty questionnaires were received from 126 MD-PhD students and graduates (63.5% response rate). The responders consisted of present students (36%), former graduates (56%), and dropouts (8%). The percentage of women in the program was 23%, and the average duration of the program was 4.2 +/- 1.4 years. Research interests were predominantly in the fields of neuroscience, immunology, molecular biology and cancer research. A considerable portion of the MD-PhD graduates had an excellent publication record stemming from their PhD research work, and 89% were planning to continue a research-orientated career. Over 50% of those MD-PhD graduates completing their thesis before 2002 had already reached an assistant or full professor position at the time of the survey. Nearly all participants considered the MD-PhD training helpful to their career and high quality standards were assigned to the acquired practical and intellectual skills. However, criticism was expressed concerning the general mentoring and the career related mentoring. Moreover, general mentoring and career related mentoring were significantly less well perceived in research groups employing more than seven PhD students at the same time. The MD-PhD students and graduates surveyed were satisfied with their education and most of them continued a research-orientated career. Regarding the overall positive evaluation, this study supports the view that MD-PhD graduates are well qualified for a successful career in

Five-year growth trajectories of kindergarten children with learning difficulties in mathematics.

PubMed

Morgan, Paul L; Farkas, George; Qiong Wu

2009-01-01

The investigators used data from the Early Childhood Longitudinal Study-Kindergarten Cohort (ECLS-K) to estimate whether and to what extent the timing and persistence of mathematics difficulties (MD) in kindergarten predicted children's first through fifth grade math growth trajectories. Results indicated that children persistently displaying MD (i.e., those experiencing MD in both fall and spring of kindergarten) had the lowest subsequent growth rates, children with MD in spring only had the second-lowest growth rates, and children with MD in the fall only (and who had thus recovered from their MD by the spring of kindergarten) had the next-lowest growth rates. The children who did not have MD in either fall or spring of kindergarten had the highest growth rates. These results were observed prior to and after statistical control for additional variables. They indicate that measuring the timing and persistence of kindergarten children's mathematics learning difficulties may help identify those most at risk for failing to become mathematically proficient during elementary school.

Trajectory NG: portable, compressed, general molecular dynamics trajectories.

PubMed

Spångberg, Daniel; Larsson, Daniel S D; van der Spoel, David

2011-10-01

We present general algorithms for the compression of molecular dynamics trajectories. The standard ways to store MD trajectories as text or as raw binary floating point numbers result in very large files when efficient simulation programs are used on supercomputers. Our algorithms are based on the observation that differences in atomic coordinates/velocities, in either time or space, are generally smaller than the absolute values of the coordinates/velocities. Also, it is often possible to store values at a lower precision. We apply several compression schemes to compress the resulting differences further. The most efficient algorithms developed here use a block sorting algorithm in combination with Huffman coding. Depending on the frequency of storage of frames in the trajectory, either space, time, or combinations of space and time differences are usually the most efficient. We compare the efficiency of our algorithms with each other and with other algorithms present in the literature for various systems: liquid argon, water, a virus capsid solvated in 15 mM aqueous NaCl, and solid magnesium oxide. We perform tests to determine how much precision is necessary to obtain accurate structural and dynamic properties, as well as benchmark a parallelized implementation of the algorithms. We obtain compression ratios (compared to single precision floating point) of 1:3.3-1:35 depending on the frequency of storage of frames and the system studied.

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.

PubMed

Hospital, Adam; Andrio, Pau; Cugnasco, Cesare; Codo, Laia; Becerra, Yolanda; Dans, Pablo D; Battistini, Federica; Torres, Jordi; Goñi, Ramón; Orozco, Modesto; Gelpí, Josep Ll

2016-01-04

Molecular dynamics simulation (MD) is, just behind genomics, the bioinformatics tool that generates the largest amounts of data, and that is using the largest amount of CPU time in supercomputing centres. MD trajectories are obtained after months of calculations, analysed in situ, and in practice forgotten. Several projects to generate stable trajectory databases have been developed for proteins, but no equivalence exists in the nucleic acids world. We present here a novel database system to store MD trajectories and analyses of nucleic acids. The initial data set available consists mainly of the benchmark of the new molecular dynamics force-field, parmBSC1. It contains 156 simulations, with over 120 μs of total simulation time. A deposition protocol is available to accept the submission of new trajectory data. The database is based on the combination of two NoSQL engines, Cassandra for storing trajectories and MongoDB to store analysis results and simulation metadata. The analyses available include backbone geometries, helical analysis, NMR observables and a variety of mechanical analyses. Individual trajectories and combined meta-trajectories can be downloaded from the portal. The system is accessible through http://mmb.irbbarcelona.org/BIGNASim/. Supplementary Material is also available on-line at http://mmb.irbbarcelona.org/BIGNASim/SuppMaterial/. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Md-miR156ab and Md-miR395 Target WRKY Transcription Factors to Influence Apple Resistance to Leaf Spot Disease.

PubMed

Zhang, Qiulei; Li, Yang; Zhang, Yi; Wu, Chuanbao; Wang, Shengnan; Hao, Li; Wang, Shengyuan; Li, Tianzhong

2017-01-01

MicroRNAs (miRNAs) are key regulators of gene expression that post-transcriptionally regulate transcription factors involved in plant physiological activities. Little is known about the effects of miRNAs in disease resistance in apple ( Malus × domestica ). We globally profiled miRNAs in the apple cultivar Golden Delicious (GD) infected or not with the apple leaf spot fungus Alternaria alternaria f. sp. mali (ALT1), and identified 58 miRNAs that exhibited more than a 2-fold upregulation upon ALT1 infection. We identified a pair of miRNAs that target protein-coding genes involved in the defense response against fungal pathogens; Md-miR156ab targets a novel WRKY transcription factor, MdWRKYN1, which harbors a TIR and a WRKY domain. Md-miR395 targets another transcription factor, MdWRKY26, which contains two WRKY domains. Real-time PCR analysis showed that Md-miR156ab and Md-miR395 levels increased, while MdWRKYN1 and MdWRKY26 expression decreased in ALT1-inoculated GD leaves; furthermore, the overexpression of Md-miR156ab and Md-miR395 resulted in a significant reduction in MdWRKYN1 and MdWRKY26 expression. To investigate whether these miRNAs and their targets play a crucial role in plant defense, we overexpressed MdWRKYN1 or knocked down Md-miR156ab activity, which in both cases enhanced the disease resistance of the plants by upregulating the expression of the WRKY-regulated pathogenesis-related (PR) protein-encoding genes MdPR3-1, MdPR3-2, MdPR4, MdPR5, MdPR10-1 , and MdPR10-2 . In a similar analysis, we overexpressed MdWRKY26 or suppressed Md-miR395 activity, and found that many PR protein-encoding genes were also regulated by MdWRKY26 . In GD, ALT-induced Md-miR156ab and Md-miR395 suppress MdWRKYN1 and MdWRKY26 expression, thereby decreasing the expression of some PR genes, and resulting in susceptibility to ALT1.

Quantifying ataxia: ideal trajectory analysis--a technical note

NASA Technical Reports Server (NTRS)

McPartland, M. D.; Krebs, D. E.; Wall, C. 3rd

2000-01-01

We describe a quantitative method to assess repeated stair stepping stability. In both the mediolateral (ML) and anterioposterior (AP) directions, the trajectory of the subject's center of mass (COM) was compared to an ideal sinusoid. The two identified sinusoids were unique in each direction but coupled. Two dimensionless numbers-the mediolateral instability index (IML) and AP instability index (IAP)-were calculated using the COM trajectory and ideal sinusoids for each subject with larger index values resulting from less stable performance. The COM trajectories of nine nonimpaired controls and six patients diagnosed with unilateral or bilateral vestibular labyrinth hypofunction were analyzed. The average IML and IAP values of labyrinth disorder patients were respectively 127% and 119% greater than those of controls (p<0.014 and 0.006, respectively), indicating that the ideal trajectory analysis distinguishes persons with labyrinth disorder from those without. The COM trajectories also identify movement inefficiencies attributable to vestibulopathy.

Quantum trajectory analysis of multimode subsystem-bath dynamics.

PubMed

Wyatt, Robert E; Na, Kyungsun

2002-01-01

The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

FEL Trajectory Analysis for the VISA Experiment

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

Nuhn, Heinz-Dieter

1998-10-06

The Visual to Infrared SASE Amplifier (VISA) [1] FEL is designed to achieve saturation at radiation wavelengths between 800 and 600 nm with a 4-m pure permanent magnet undulator. The undulator comprises four 99-cm segments each of which has four FODO focusing cells superposed on the beam by means of permanent magnets in the gap alongside the beam. Each segment will also have two beam position monitors and two sets of x-y dipole correctors. The trajectory walk-off in each segment will be reduced to a value smaller than the rms beam radius by means of magnet sorting, precise fabrication, andmore » post-fabrication shimming and trim magnets. However, this leaves possible inter-segment alignment errors. A trajectory analysis code has been used in combination with the FRED3D [2] FEL code to simulate the effect of the shimming procedure and segment alignment errors on the electron beam trajectory and to determine the sensitivity of the FEL gain process to trajectory errors. The paper describes the technique used to establish tolerances for the segment alignment.« less

Aeroassisted orbit transfer vehicle trajectory analysis

NASA Technical Reports Server (NTRS)

Braun, Robert D.; Suit, William T.

1988-01-01

The emphasis in this study was on the use of multiple pass trajectories for aerobraking. However, for comparison, single pass trajectories, trajectories using ballutes, and trajectories corrupted by atmospheric anomolies were run. A two-pass trajectory was chosen to determine the relation between sensitivity to errors and payload to orbit. Trajectories that used only aerodynamic forces for maneuvering could put more weight into the target orbits but were very sensitive to variations from the planned trajectors. Using some thrust control resulted in less payload to orbit, but greatly reduced the sensitivity to variations from nominal trajectories. When compared to the non-thrusting trajectories investigated, the judicious use of thrusting resulted in multiple pass trajectories that gave 97 percent of the payload to orbit with almost none of the sensitivity to variations from the nominal.

Visual traffic jam analysis based on trajectory data.

PubMed

Wang, Zuchao; Lu, Min; Yuan, Xiaoru; Zhang, Junping; van de Wetering, Huub

2013-12-01

In this work, we present an interactive system for visual analysis of urban traffic congestion based on GPS trajectories. For these trajectories we develop strategies to extract and derive traffic jam information. After cleaning the trajectories, they are matched to a road network. Subsequently, traffic speed on each road segment is computed and traffic jam events are automatically detected. Spatially and temporally related events are concatenated in, so-called, traffic jam propagation graphs. These graphs form a high-level description of a traffic jam and its propagation in time and space. Our system provides multiple views for visually exploring and analyzing the traffic condition of a large city as a whole, on the level of propagation graphs, and on road segment level. Case studies with 24 days of taxi GPS trajectories collected in Beijing demonstrate the effectiveness of our system.

Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

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

Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

2015-07-28

The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to providemore » better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability.« less

Trajectory Browser: An Online Tool for Interplanetary Trajectory Analysis and Visualization

NASA Technical Reports Server (NTRS)

Foster, Cyrus James

2013-01-01

The trajectory browser is a web-based tool developed at the NASA Ames Research Center for finding preliminary trajectories to planetary bodies and for providing relevant launch date, time-of-flight and (Delta)V requirements. The site hosts a database of transfer trajectories from Earth to planets and small-bodies for various types of missions such as rendezvous, sample return or flybys. A search engine allows the user to find trajectories meeting desired constraints on the launch window, mission duration and (Delta)V capability, while a trajectory viewer tool allows the visualization of the heliocentric trajectory and the detailed mission itinerary. The anticipated user base of this tool consists primarily of scientists and engineers designing interplanetary missions in the context of pre-phase A studies, particularly for performing accessibility surveys to large populations of small-bodies.

Property values, parks, and crime: a hedonic analysis in Baltimore, MD

Treesearch

Austin Troy; J. Morgan Grove

2008-01-01

While urban parks are generally considered to be a positive amenity, past research suggests that some parks are perceived as a neighborhood liability. Using hedonic analysis of property data in Baltimore, MD, we attempted to determine whether crime rate mediates how parks are valued by the housing market. Transacted price was regressed against park proximity, area-...

CFD Analysis of Swing of Cricket Ball and Trajectory Prediction

NASA Astrophysics Data System (ADS)

G, Jithin; Tom, Josin; Ruishikesh, Kamat; Jose, Jyothish; Kumar, Sanjay

2013-11-01

This work aims to understand the aerodynamics associated with the flight and swing of a cricket ball and predict its flight trajectory over the course of the game: at start (smooth ball) and as the game progresses (rough ball). Asymmetric airflow over the ball due to seam orientation and surface roughness can cause flight deviation (swing). The values of Drag, Lift and Side forces which are crucial for determining the trajectory of the ball were found with the help of FLUENT using the standard K- ɛ model. Analysis was done to study how the ball velocity, spin imparted to be ball and the tilt of the seam affects the movement of the ball through air. The governing force balance equations in 3 dimensions in combination a MATLAB code which used Heun's method was used for obtaining the trajectory of the ball. The conditions for the conventional swing and reverse swing to occur were deduced from the analysis and found to be in alignment with the real life situation. Critical seam angle for maximum swing and transition speed for normal to reverse swing were found out. The obtained trajectories were compared to real life hawk eye trajectories for validation. The analysis results were in good agreement with the real life situation.

Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code.

PubMed

Carrillo-Parramon, Oliver; Del Galdo, Sara; Aschi, Massimiliano; Mancini, Giordano; Amadei, Andrea; Barone, Vincenzo

2017-11-14

The Perturbed Matrix Method (PMM) approach to be used in combination with Molecular Dynamics (MD) trajectories (MD-PMM) has been recoded from scratch, improved in several aspects, and implemented in the Gaussian suite of programs for allowing a user-friendly and yet flexible tool to estimate quantum chemistry observables in complex systems in condensed phases. Particular attention has been devoted to a description of rigid and flexible quantum centers together with powerful essential dynamics and clustering approaches. The default implementation is fully black-box and does not require any external action concerning both MD and PMM sections. At the same time, fine-tuning of different parameters and use of external data are allowed in all the steps of the procedure. Two specific systems (Tyrosine and Uridine) have been reinvestigated with the new version of the code in order to validate the implementation, check the performances, and illustrate some new features.

Examining Summer Laboratory Research Apprenticeships for High School Students as a Factor in Entry to MD/PhD Programs at Matriculation.

PubMed

Tai, Robert H; Kong, Xiaoqing; Mitchell, Claire E; Dabney, Katherine P; Read, Daniel M; Jeffe, Donna B; Andriole, Dorothy A; Wathington, Heather D

2017-01-01

Do summer laboratory research apprenticeships during high school have an impact on entry into MD/PhD programs? Apart from the nearly decade-long span of time between high school and matriculation into an MD/PhD program, young people have many life-shaping experiences that presumably impact their education and career trajectories. This quantitative study ( n = 236,432) examines the connection between early laboratory research apprenticeship experiences at the high school level and matriculation into one of the more rigorous educational programs for scientific research training. The span of time covered by this analysis reaches across more than a decade, examining the potential importance of research experiences during the precollege years in the educational trajectory of young people. Intertwined with this question on research experiences is a second major concern regarding diversity in the life sciences research corps. Diversity in this wide-ranging discipline refers specifically to the underrepresentation of Blacks/African Americans, Hispanics/Latino/as, and American Indians/Alaska Natives among the ranks of research scientists. Thus, this study includes analyses that specifically focus on research apprenticeships of Blacks/African Americans and Hispanics/Latino/as and their entrance into MD/PhD programs. © 2017 R. H. Tai et al. CBE—Life Sciences Education © 2017 The American Society for Cell Biology. This article is distributed by The American Society for Cell Biology under license from the author(s). It is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations.

PubMed

Goret, G; Aoun, B; Pellegrini, E

2017-01-23

The MDANSE software-Molecular Dynamics Analysis of Neutron Scattering Experiments-is presented. It is an interactive application for postprocessing molecular dynamics (MD) simulations. Given the widespread use of MD simulations in material and biomolecular sciences to get a better insight for experimental techniques such as thermal neutron scattering (TNS), the development of MDANSE has focused on providing a user-friendly, interactive, graphical user interface for analyzing many trajectories in the same session and running several analyses simultaneously independently of the interface. This first version of MDANSE already proposes a broad range of analyses, and the application has been designed to facilitate the introduction of new analyses in the framework. All this makes MDANSE a valuable tool for extracting useful information from trajectories resulting from a wide range of MD codes.

The Best Estimated Trajectory Analysis for Pad Abort One

NASA Technical Reports Server (NTRS)

Kutty, Prasad; Noonan, Meghan; Karlgaard, Christopher; Beck, Roger

2011-01-01

I. Best Estimated Trajectory (BET) objective: a) Produce reconstructed trajectory of the PA-1 flight to understand vehicle dynamics and aid other post flight analyses. b) Leverage all measurement sources taken of vehicle during flight to produce the most accurate estimate of vehicle trajectory. c) Generate trajectory reconstructions of the Crew Module (CM), Launch Abort System (LAS), and Forward Bay Cover (FBC). II. BET analysis was started immediately following the PA-1 mission and was completed in September, 2010 a) Quick look version of BET released 5/25/2010: initial repackaging of SIGI data. b) Preliminary version of BET released 7/6/2010: first blended solution using available sources of external measurements. c) Final version of BET released 9/1/2010: final blended solution using all available sources of data.

Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase.

PubMed

Karamzadeh, Razieh; Karimi-Jafari, Mohammad Hossein; Sharifi-Zarchi, Ali; Chitsaz, Hamidreza; Salekdeh, Ghasem Hosseini; Moosavi-Movahedi, Ali Akbar

2017-06-16

The human protein disulfide isomerase (hPDI), is an essential four-domain multifunctional enzyme. As a result of disulfide shuffling in its terminal domains, hPDI exists in two oxidation states with different conformational preferences which are important for substrate binding and functional activities. Here, we address the redox-dependent conformational dynamics of hPDI through molecular dynamics (MD) simulations. Collective domain motions are identified by the principal component analysis of MD trajectories and redox-dependent opening-closing structure variations are highlighted on projected free energy landscapes. Then, important structural features that exhibit considerable differences in dynamics of redox states are extracted by statistical machine learning methods. Mapping the structural variations to time series of residue interaction networks also provides a holistic representation of the dynamical redox differences. With emphasizing on persistent long-lasting interactions, an approach is proposed that compiled these time series networks to a single dynamic residue interaction network (DRIN). Differential comparison of DRIN in oxidized and reduced states reveals chains of residue interactions that represent potential allosteric paths between catalytic and ligand binding sites of hPDI.

Apple fruit copper amine oxidase isoforms: peroxisomal MdAO1 prefers diamines as substrates, whereas extracellular MdAO2 exclusively utilizes monoamines.

PubMed

Zarei, Adel; Trobacher, Christopher P; Cooke, Alison R; Meyers, Ashley J; Hall, J Christopher; Shelp, Barry J

2015-01-01

4-Aminobutyrate (GABA) accumulates in apple fruit during controlled atmosphere storage. A potential source of GABA is the polyamine putrescine, which can be oxidized via copper-containing amine oxidase (CuAO), resulting in the production 4-aminobutanal/Δ(1)-pyrroline, with the consumption of O2 and release of H2O2 and ammonia. Five putative CuAO genes (MdAO genes) were cloned from apple (Malus domestica Borkh. cv. Empire) fruit, and the deduced amino acid sequences found to contain the active sites typically conserved in CuAOs. Genes encoding two of these enzymes, MdAO1 and MdAO2, were highly expressed in apple fruit and selected for further analysis. Amino acid sequence analysis predicted the presence of a C-terminal peroxisomal targeting signal 1 tripeptide in MdAO1 and an N-terminal signal peptide and N-glycosylation site in MdAO2. Transient expression of green fluorescent fusion proteins in Arabidopsis protoplasts or onion epidermal cells revealed a peroxisomal localization for MdAO1 and an extracellular localization for MdAO2. The enzymatic activities of purified recombinant MdAO1 and MdAO2 were measured continuously as H2O2 production using a coupled reaction. MdAO1 did not use monoamines or polyamines and displayed high catalytic efficiency for 1,3-diaminopropane, putrescine and cadaverine, whereas MdAO2 exclusively utilized aliphatic and aromatic monoamines, including 2-phenylethylamine and tyramine. Together, these results indicate that MdAO1 may contribute to GABA production via putrescine oxidation in the peroxisome of apple fruit under controlled atmosphere conditions. MdAO2 seems to be involved in deamination of 2-phenylethylamine, which is a step in the biosynthesis of 2-phenylethanol, a contributor to fruit flavor and flower fragrance. © The Author 2014. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Efficient Characterization of Protein Cavities within Molecular Simulation Trajectories: trj_cavity.

PubMed

Paramo, Teresa; East, Alexandra; Garzón, Diana; Ulmschneider, Martin B; Bond, Peter J

2014-05-13

Protein cavities and tunnels are critical in determining phenomena such as ligand binding, molecular transport, and enzyme catalysis. Molecular dynamics (MD) simulations enable the exploration of the flexibility and conformational plasticity of protein cavities, extending the information available from static experimental structures relevant to, for example, drug design. Here, we present a new tool (trj_cavity) implemented within the GROMACS ( www.gromacs.org ) framework for the rapid identification and characterization of cavities detected within MD trajectories. trj_cavity is optimized for usability and computational efficiency and is applicable to the time-dependent analysis of any cavity topology, and optional specialized descriptors can be used to characterize, for example, protein channels. Its novel grid-based algorithm performs an efficient neighbor search whose calculation time is linear with system size, and a comparison of performance with other widely used cavity analysis programs reveals an orders-of-magnitude improvement in the computational cost. To demonstrate its potential for revealing novel mechanistic insights, trj_cavity has been used to analyze long-time scale simulation trajectories for three diverse protein cavity systems. This has helped to reveal, respectively, the lipid binding mechanism in the deep hydrophobic cavity of a soluble mite-allergen protein, Der p 2; a means for shuttling carbohydrates between the surface-exposed substrate-binding and catalytic pockets of a multidomain, membrane-proximal pullulanase, PulA; and the structural basis for selectivity in the transmembrane pore of a voltage-gated sodium channel (NavMs), embedded within a lipid bilayer environment. trj_cavity is available for download under an open-source license ( http://sourceforge.net/projects/trjcavity ). A simplified, GROMACS-independent version may also be compiled.

The ESA's Space Trajectory Analysis software suite

NASA Astrophysics Data System (ADS)

Ortega, Guillermo

The European Space Agency (ESA) initiated in 2005 an internal activity to develop an open source software suite involving university science departments and research institutions all over the world. This project is called the "Space Trajectory Analysis" or STA. This article describes the birth of STA and its present configuration. One of the STA aims is to promote the exchange of technical ideas, and raise knowledge and competence in the areas of applied mathematics, space engineering, and informatics at University level. Conceived as a research and education tool to support the analysis phase of a space mission, STA is able to visualize a wide range of space trajectories. These include among others ascent, re-entry, descent and landing trajectories, orbits around planets and moons, interplanetary trajectories, rendezvous trajectories, etc. The article explains that STA project is an original idea of the Technical Directorate of ESA. It was born in August 2005 to provide a framework in astrodynamics research at University level. As research and education software applicable to Academia, a number of Universities support this development by joining ESA in leading the development. ESA and Universities partnership are expressed in the STA Steering Board. Together with ESA, each University has a chair in the board whose tasks are develop, control, promote, maintain, and expand the software suite. The article describes that STA provides calculations in the fields of spacecraft tracking, attitude analysis, coverage and visibility analysis, orbit determination, position and velocity of solar system bodies, etc. STA implements the concept of "space scenario" composed of Solar system bodies, spacecraft, ground stations, pads, etc. It is able to propagate the orbit of a spacecraft where orbital propagators are included. STA is able to compute communication links between objects of a scenario (coverage, line of sight), and to represent the trajectory computations and

Flight test trajectory control analysis

NASA Technical Reports Server (NTRS)

Walker, R.; Gupta, N.

1983-01-01

Recent extensions to optimal control theory applied to meaningful linear models with sufficiently flexible software tools provide powerful techniques for designing flight test trajectory controllers (FTTCs). This report describes the principal steps for systematic development of flight trajectory controllers, which can be summarized as planning, modeling, designing, and validating a trajectory controller. The techniques have been kept as general as possible and should apply to a wide range of problems where quantities must be computed and displayed to a pilot to improve pilot effectiveness and to reduce workload and fatigue. To illustrate the approach, a detailed trajectory guidance law is developed and demonstrated for the F-15 aircraft flying the zoom-and-pushover maneuver.

Molecular cloning and functional analysis of a blue light receptor gene MdCRY2 from apple (Malus domestica).

PubMed

Li, Yuan-Yuan; Mao, Ke; Zhao, Cheng; Zhao, Xian-Yan; Zhang, Rui-Fen; Zhang, Hua-Lei; Shu, Huai-Rui; Hao, Yu-Jin

2013-04-01

MdCRY2 was isolated from apple fruit skin, and its function was analyzed in MdCRY2 transgenic Arabidopsis. The interaction between MdCRY2 and AtCOP1 was found by yeast two-hybrid and BiFC assays. Cryptochromes are blue/ultraviolet-A (UV-A) light receptors involved in regulating various aspects of plant growth and development. Investigations of the structure and functions of cryptochromes in plants have largely focused on Arabidopsis (Arabidopsis thaliana), tomato (Solanum lycopersicum), pea (Pisum sativum), and rice (Oryza sativa). However, no data on the function of CRY2 are available in woody plants. In this study, we isolated a cryptochrome gene, MdCRY2, from apple (Malus domestica). The deduced amino acid sequences of MdCRY2 contain the conserved N-terminal photolyase-related domain and the flavin adenine dinucleotide (FAD) binding domain, as well as the C-terminal DQXVP-acidic-STAES (DAS) domain. Relationship analysis indicates that MdCRY2 shows the highest similarity to the strawberry FvCRY protein. The expression of MdCRY2 is induced by blue/UV-A light, which represents a 48-h circadian rhythm. To investigate the function of MdCRY2, we overexpressed the MdCRY2 gene in a cry2 mutant and wild type (WT) Arabidopsis, assessed the phenotypes of the resulting transgenic plants, and found that MdCRY2 functions to regulate hypocotyl elongation, root growth, flower initiation, and anthocyanin accumulation. Furthermore, we examined the interaction between MdCRY2 and AtCOP1 using a yeast two-hybrid assay and a bimolecular fluorescence complementation assay. These data provide functional evidence for a role of blue/UV-A light-induced MdCRY2 in controlling photomorphogenesis in apple.

An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features.

PubMed

De Paris, Renata; Quevedo, Christian V; Ruiz, Duncan D A; Norberto de Souza, Osmar

2015-01-01

Protein receptor conformations, obtained from molecular dynamics (MD) simulations, have become a promising treatment of its explicit flexibility in molecular docking experiments applied to drug discovery and development. However, incorporating the entire ensemble of MD conformations in docking experiments to screen large candidate compound libraries is currently an unfeasible task. Clustering algorithms have been widely used as a means to reduce such ensembles to a manageable size. Most studies investigate different algorithms using pairwise Root-Mean Square Deviation (RMSD) values for all, or part of the MD conformations. Nevertheless, the RMSD only may not be the most appropriate gauge to cluster conformations when the target receptor has a plastic active site, since they are influenced by changes that occur on other parts of the structure. Hence, we have applied two partitioning methods (k-means and k-medoids) and four agglomerative hierarchical methods (Complete linkage, Ward's, Unweighted Pair Group Method and Weighted Pair Group Method) to analyze and compare the quality of partitions between a data set composed of properties from an enzyme receptor substrate-binding cavity and two data sets created using different RMSD approaches. Ensembles of representative MD conformations were generated by selecting a medoid of each group from all partitions analyzed. We investigated the performance of our new method for evaluating binding conformation of drug candidates to the InhA enzyme, which were performed by cross-docking experiments between a 20 ns MD trajectory and 20 different ligands. Statistical analyses showed that the novel ensemble, which is represented by only 0.48% of the MD conformations, was able to reproduce 75% of all dynamic behaviors within the binding cavity for the docking experiments performed. Moreover, this new approach not only outperforms the other two RMSD-clustering solutions, but it also shows to be a promising strategy to distill

Multidimensional Recurrence Quantification Analysis (MdRQA) for the Analysis of Multidimensional Time-Series: A Software Implementation in MATLAB and Its Application to Group-Level Data in Joint Action

PubMed Central

Wallot, Sebastian; Roepstorff, Andreas; Mønster, Dan

2016-01-01

We introduce Multidimensional Recurrence Quantification Analysis (MdRQA) as a tool to analyze multidimensional time-series data. We show how MdRQA can be used to capture the dynamics of high-dimensional signals, and how MdRQA can be used to assess coupling between two or more variables. In particular, we describe applications of the method in research on joint and collective action, as it provides a coherent analysis framework to systematically investigate dynamics at different group levels—from individual dynamics, to dyadic dynamics, up to global group-level of arbitrary size. The Appendix in Supplementary Material contains a software implementation in MATLAB to calculate MdRQA measures. PMID:27920748

Multidimensional Recurrence Quantification Analysis (MdRQA) for the Analysis of Multidimensional Time-Series: A Software Implementation in MATLAB and Its Application to Group-Level Data in Joint Action.

PubMed

Wallot, Sebastian; Roepstorff, Andreas; Mønster, Dan

2016-01-01

We introduce Multidimensional Recurrence Quantification Analysis (MdRQA) as a tool to analyze multidimensional time-series data. We show how MdRQA can be used to capture the dynamics of high-dimensional signals, and how MdRQA can be used to assess coupling between two or more variables. In particular, we describe applications of the method in research on joint and collective action, as it provides a coherent analysis framework to systematically investigate dynamics at different group levels-from individual dynamics, to dyadic dynamics, up to global group-level of arbitrary size. The Appendix in Supplementary Material contains a software implementation in MATLAB to calculate MdRQA measures.

Automated Sensitivity Analysis of Interplanetary Trajectories for Optimal Mission Design

NASA Technical Reports Server (NTRS)

Knittel, Jeremy; Hughes, Kyle; Englander, Jacob; Sarli, Bruno

2017-01-01

This work describes a suite of Python tools known as the Python EMTG Automated Trade Study Application (PEATSA). PEATSA was written to automate the operation of trajectory optimization software, simplify the process of performing sensitivity analysis, and was ultimately found to out-perform a human trajectory designer in unexpected ways. These benefits will be discussed and demonstrated on sample mission designs.

Benchmarking Foot Trajectory Estimation Methods for Mobile Gait Analysis

PubMed Central

Ollenschläger, Malte; Roth, Nils; Klucken, Jochen

2017-01-01

Mobile gait analysis systems based on inertial sensing on the shoe are applied in a wide range of applications. Especially for medical applications, they can give new insights into motor impairment in, e.g., neurodegenerative disease and help objectify patient assessment. One key component in these systems is the reconstruction of the foot trajectories from inertial data. In literature, various methods for this task have been proposed. However, performance is evaluated on a variety of datasets due to the lack of large, generally accepted benchmark datasets. This hinders a fair comparison of methods. In this work, we implement three orientation estimation and three double integration schemes for use in a foot trajectory estimation pipeline. All methods are drawn from literature and evaluated against a marker-based motion capture reference. We provide a fair comparison on the same dataset consisting of 735 strides from 16 healthy subjects. As a result, the implemented methods are ranked and we identify the most suitable processing pipeline for foot trajectory estimation in the context of mobile gait analysis. PMID:28832511

The first nationwide survey of MD-PhDs in the social sciences and humanities: training patterns and career choices.

PubMed

Holmes, Seth M; Karlin, Jennifer; Stonington, Scott D; Gottheil, Diane L

2017-03-21

While several articles on MD-PhD trainees in the basic sciences have been published in the past several years, very little research exists on physician-investigators in the social sciences and humanities. However, the numbers of MD-PhDs training in these fields and the number of programs offering training in these fields are increasing, particularly within the US. In addition, accountability for the public funding for MD-PhD programs requires knowledge about this growing population of trainees and their career trajectories. The aim of this paper is to describe the first cohorts of MD-PhDs in the social sciences and humanities, to characterize their training and career paths, and to better understand their experiences of training and subsequent research and practice. This paper utilizes a multi-pronged recruitment method and novel survey instrument to examine an understudied population of MD-PhD trainees in the social sciences and humanities, many of whom completed both degrees without formal programmatic support. The survey instrument was designed to collect demographic, training and career trajectory data, as well as experiences of and perspectives on training and career. It describes their routes to professional development, characterizes obstacles to and predictors of success, and explores career trends. The average length of time to complete both degrees was 9 years. The vast majority (90%) completed a clinical residency, almost all (98%) were engaged in research, the vast majority (88%) were employed in academic institutions, and several others (9%) held leadership positions in national and international health organizations. Very few (4%) went into private practice. The survey responses supply recommendations for supporting current trainees as well as areas for future research. In general, MD-PhDs in the social sciences and humanities have careers that fit the goals of agencies providing public funding for training physician-investigators: they are involved

Apple fruit acidity is genetically diversified by natural variations in three hierarchical epistatic genes MdSAUR37, MdPP2CH and MdALMTII.

PubMed

Jia, Dongjie; Shen, Fei; Wang, Yi; Wu, Ting; Xu, Xuefeng; Zhang, Xinzhong; Han, Zhenhai

2018-05-11

Many efforts have been made to map quantitative trait loci (QTLs) to facilitate practical marker-assisted selection (MAS) in plants. In the present study, we identified four genome-wide major QTLs responsible for apple fruit acidity by MapQTL and BSA-seq analyses using two independent pedigree-based populations. Candidate genes were screened in major QTL regions, and three functional gene markers, including a non-synonymous A/G single nucleotide polymorphism (SNP) in the coding region of MdPP2CH, a 36-bp insertion in the promoter of MdSAUR37, and a previously reported SNP in MdALMTII, were validated to influence the malate content of apple fruits. In addition, MdPP2CH inactivated three vacuolar H + -ATPases (MdVHA-A3, MdVHA-B2 and MdVHA-D2) and one aluminium-activated malate transporter (MdALMTII) via dephosphorylation and negatively influenced fruit malate accumulation. The dephosphotase activity of MdPP2CH was suppressed by MdSAUR37, which implied a higher hierarchy of genetic interaction. Therefore, the MdSAUR37/MdPP2CH/MdALMTII chain cascaded hierarchical epistatic genetic effects to precisely determine apple fruit malate content. An A/G SNP (-1010) on MdMYB44 promoter region from a major QTL (qtl08.1) was closely associated with fruit malate content. The predicted phenotype values (PPVs) were estimated using the tentative genotype values of the gene markers, and the PPVs were significantly correlated with the observed phenotype values. Our findings provide an insight into plant genome-based selection in apples and will aid in conducting research to understand the physiological fundamentals of quantitative genetics. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Evaluation of Adherence to Nutritional Intervention Through Trajectory Analysis.

PubMed

Sevilla-Villanueva, B; Gibert, K; Sanchez-Marre, M; Fito, M; Covas, M I

2017-05-01

Classical pre-post intervention studies are often analyzed using traditional statistics. Nevertheless, the nutritional interventions have small effects on the metabolism and traditional statistics are not enough to detect these subtle nutrient effects. Generally, this kind of studies assumes that the participants are adhered to the assigned dietary intervention and directly analyzes its effects over the target parameters. Thus, the evaluation of adherence is generally omitted. Although, sometimes, participants do not effectively adhere to the assigned dietary guidelines. For this reason, the trajectory map is proposed as a visual tool where dietary patterns of individuals can be followed during the intervention and can also be related with nutritional prescriptions. The trajectory analysis is also proposed allowing both analysis: 1) adherence to the intervention and 2) intervention effects. The analysis is made by projecting the differences of the target parameters over the resulting trajectories between states of different time-stamps which might be considered either individually or by groups. The proposal has been applied over a real nutritional study showing that some individuals adhere better than others and some individuals of the control group modify their habits during the intervention. In addition, the intervention effects are different depending on the type of individuals, even some subgroups have opposite response to the same intervention.

An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features

PubMed Central

Ruiz, Duncan D. A.; Norberto de Souza, Osmar

2015-01-01

Protein receptor conformations, obtained from molecular dynamics (MD) simulations, have become a promising treatment of its explicit flexibility in molecular docking experiments applied to drug discovery and development. However, incorporating the entire ensemble of MD conformations in docking experiments to screen large candidate compound libraries is currently an unfeasible task. Clustering algorithms have been widely used as a means to reduce such ensembles to a manageable size. Most studies investigate different algorithms using pairwise Root-Mean Square Deviation (RMSD) values for all, or part of the MD conformations. Nevertheless, the RMSD only may not be the most appropriate gauge to cluster conformations when the target receptor has a plastic active site, since they are influenced by changes that occur on other parts of the structure. Hence, we have applied two partitioning methods (k-means and k-medoids) and four agglomerative hierarchical methods (Complete linkage, Ward’s, Unweighted Pair Group Method and Weighted Pair Group Method) to analyze and compare the quality of partitions between a data set composed of properties from an enzyme receptor substrate-binding cavity and two data sets created using different RMSD approaches. Ensembles of representative MD conformations were generated by selecting a medoid of each group from all partitions analyzed. We investigated the performance of our new method for evaluating binding conformation of drug candidates to the InhA enzyme, which were performed by cross-docking experiments between a 20 ns MD trajectory and 20 different ligands. Statistical analyses showed that the novel ensemble, which is represented by only 0.48% of the MD conformations, was able to reproduce 75% of all dynamic behaviors within the binding cavity for the docking experiments performed. Moreover, this new approach not only outperforms the other two RMSD-clustering solutions, but it also shows to be a promising strategy to distill

Molecular cloning and functional analysis of a UV-B photoreceptor gene, MdUVR8 (UV Resistance Locus 8), from apple.

PubMed

Zhao, Cheng; Mao, Ke; You, Chun-Xiang; Zhao, Xian-Yan; Wang, Shu-Hui; Li, Yuan-Yuan; Hao, Yu-Jin

2016-06-01

UVR8 (UV Resistance Locus 8) is an ultraviolet-B (UV-B; 280-315nm) light receptor that is involved in regulating many aspects of plant growth and development. UV-B irradiation can increase the development of flower and fruit coloration in many fruit trees, such as grape, pear and apple. Previous investigations of the structure and functions of UVR8 in plants have largely focused on Arabidopsis. Here, we isolated the UVR8 gene from apple (Malus domestica) and analyzed its function in transgenic Arabidopsis. Genomic and protein sequence analysis showed that MdUVR8 shares high similarity with the AtUVR8 protein from Arabidopsis, including the conserved seven-bladed β-propeller, the C27 region, the 3 "GWRHT" motifs and crucial amino-acid residues (14 Trps, 2 Args). A point mutation prediction and three-dimensional structural analysis of MdUVR8 indicated that it has a similar structure to AtUVR8 and that the crucial residues are also important in MdUVR8. In terms of transcript levels, MdUVR8 expression was up-regulated by UV-B light, which suggests that its expression follows a 24-h circadian rhythm. Using heterologous expression of MdUVR8 in both uvr8-1 mutant and wild-type (WT) Arabidopsis, we found that MdUVR8 regulates hypocotyl elongation and gene expression under UV-B light. These data provide functional evidence for a role of MdUVR8 in controlling photomorphogenesis under UV-B light and indicate that the function of UVR8 is conserved between Arabidopsis and apple. Furthermore, we examined the interaction between MdUVR8 and MdCOP1 (constitutive photomorphogenic1) using a yeast two-hybrid assay and a co-immunoprecipitation assay. This interaction provides a direction for investigating the regulatory mechanisms of the UV-B-light pathway in apple. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Metadata (MD)

Treesearch

Robert E. Keane

2006-01-01

The Metadata (MD) table in the FIREMON database is used to record any information about the sampling strategy or data collected using the FIREMON sampling procedures. The MD method records metadata pertaining to a group of FIREMON plots, such as all plots in a specific FIREMON project. FIREMON plots are linked to metadata using a unique metadata identifier that is...

Novel 3D/VR interactive environment for MD simulations, visualization and analysis.

PubMed

Doblack, Benjamin N; Allis, Tim; Dávila, Lilian P

2014-12-18

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model materials, this enhancement allows the addition of accelerated MD simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal is to investigate the structure and properties of inorganic nanostructures (e.g., silica glass nanosprings) under different conditions using this innovative computational system. The work presented outlines a description of the 3D/VR Visualization System and basic components, an overview of important considerations such as the physical environment, details on the setup and use of the novel system, a general procedure for the accelerated MD enhancement, technical information, and relevant remarks. The impact of this work is the creation of a unique computational system combining nanoscale materials simulation, visualization and interactivity in a virtual environment, which is both a research and teaching instrument at UC Merced.

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

PubMed Central

Doblack, Benjamin N.; Allis, Tim; Dávila, Lilian P.

2014-01-01

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model materials, this enhancement allows the addition of accelerated MD simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal is to investigate the structure and properties of inorganic nanostructures (e.g., silica glass nanosprings) under different conditions using this innovative computational system. The work presented outlines a description of the 3D/VR Visualization System and basic components, an overview of important considerations such as the physical environment, details on the setup and use of the novel system, a general procedure for the accelerated MD enhancement, technical information, and relevant remarks. The impact of this work is the creation of a unique computational system combining nanoscale materials simulation, visualization and interactivity in a virtual environment, which is both a research and teaching instrument at UC Merced. PMID:25549300

Exploring intentions of physician-scientist trainees: factors influencing MD and MD/PhD interest in research careers.

PubMed

Kwan, Jennifer M; Daye, Dania; Schmidt, Mary Lou; Conlon, Claudia Morrissey; Kim, Hajwa; Gaonkar, Bilwaj; Payne, Aimee S; Riddle, Megan; Madera, Sharline; Adami, Alexander J; Winter, Kate Quinn

2017-07-11

Prior studies have described the career paths of physician-scientist candidates after graduation, but the factors that influence career choices at the candidate stage remain unclear. Additionally, previous work has focused on MD/PhDs, despite many physician-scientists being MDs. This study sought to identify career sector intentions, important factors in career selection, and experienced and predicted obstacles to career success that influence the career choices of MD candidates, MD candidates with research-intense career intentions (MD-RI), and MD/PhD candidates. A 70-question survey was administered to students at 5 academic medical centers with Medical Scientist Training Programs (MSTPs) and Clinical and Translational Science Awards (CTSA) from the NIH. Data were analyzed using bivariate or multivariate analyses. More MD/PhD and MD-RI candidates anticipated or had experienced obstacles related to balancing academic and family responsibilities and to balancing clinical, research, and education responsibilities, whereas more MD candidates indicated experienced and predicted obstacles related to loan repayment. MD/PhD candidates expressed higher interest in basic and translational research compared to MD-RI candidates, who indicated more interest in clinical research. Overall, MD-RI candidates displayed a profile distinct from both MD/PhD and MD candidates. MD/PhD and MD-RI candidates experience obstacles that influence their intentions to pursue academic medical careers from the earliest training stage, obstacles which differ from those of their MD peers. The differences between the aspirations of and challenges facing MD, MD-RI and MD/PhD candidates present opportunities for training programs to target curricula and support services to ensure the career development of successful physician-scientists.

VIEW IN OPPOSITE DIRECTION AS MD1351 AND MD1352. RAW MATERIAL ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

VIEW IN OPPOSITE DIRECTION AS MD-135-1 AND MD-135-2. RAW MATERIAL CONVEYOR AT LEFT DEPOSITS SHELL INTO MILLING MACHINE AT LOWER LEFT. ENGINE IS AT LOWER RIGHT AND RADIATOR AT LOWER CENTER. ROLLER SORTER IS AT TOP OF CONVEYOR. - F. & H. Benning Company Oyster Mill, 14430 Solomons Island Road (moved from 1014 Benning Road, Galesville, Anne Arundel County, Maryland), Solomons, Calvert County, MD

Secondary structure inducing potential of beta-amino acids: torsion angle clustering facilitates comparison and analysis of the conformation during MD trajectories.

PubMed

Guthöhrlein, E W; Malesević, M; Majer, Z; Sewald, N

2007-01-01

While numerous examples of beta-peptides--exclusively composed of beta-amino acids--have been investigated during the past decade, there are only few reports on the conformational preference of a single beta-amino acid when incorporated into a cyclopeptide. The conformational bias of beta-amino acids on the secondary structure of cyclopeptides has been investigated by NMR spectroscopy in combination with distance geometry (DG) and molecular dynamics (MD) calculations using experimental constraints. The atomic coordinate RMSD criterion usually employed for clustering of conformations after DG and MD calculations does not necessarily group similar peptide conformations, as there is an insufficient correlation between atomic coordinates and torsion angles. To improve on this shortcoming and to eliminate any arbitrary decisions during this process, a torsion angle clustering procedure has been implemented. For the cyclic pentapeptides cyclo-(-Val-beta-Hala-Phe-Leu-Ile-) 1 and cyclo-(-Ser-Pro-Leu-beta-Hasn-Asp-) 3, the beta-amino acid is found in the central position of an extended gamma-turn (pseudo gamma-turn, Psigamma-turn), while the beta-Hpro residue in the cyclic hexapeptide cyclo-(-Ser-beta-Hpro-Leu-Asn-Ile-Asp-) 5 preferentially occupies position i+1 of a pseudo beta-turn (Psibeta-turn). These results further corroborate the hypothesis of beta-amino acids being reliable inducers of secondary structure in cyclic penta- and hexapeptides. They can be employed in the de novo design of biologically active cyclopeptides in pharmaceutical research, since the three-dimensional presentation of pharmacophoric groups in the side chains can be tailored by incorporation of beta-amino acids in strategic sequential positions. (c) 2007 Wiley Periodicals, Inc.

Quantitative underwater 3D motion analysis using submerged video cameras: accuracy analysis and trajectory reconstruction.

PubMed

Silvatti, Amanda P; Cerveri, Pietro; Telles, Thiago; Dias, Fábio A S; Baroni, Guido; Barros, Ricardo M L

2013-01-01

In this study we aim at investigating the applicability of underwater 3D motion capture based on submerged video cameras in terms of 3D accuracy analysis and trajectory reconstruction. Static points with classical direct linear transform (DLT) solution, a moving wand with bundle adjustment and a moving 2D plate with Zhang's method were considered for camera calibration. As an example of the final application, we reconstructed the hand motion trajectories in different swimming styles and qualitatively compared this with Maglischo's model. Four highly trained male swimmers performed butterfly, breaststroke and freestyle tasks. The middle fingertip trajectories of both hands in the underwater phase were considered. The accuracy (mean absolute error) of the two calibration approaches (wand: 0.96 mm - 2D plate: 0.73 mm) was comparable to out of water results and highly superior to the classical DLT results (9.74 mm). Among all the swimmers, the hands' trajectories of the expert swimmer in the style were almost symmetric and in good agreement with Maglischo's model. The kinematic results highlight symmetry or asymmetry between the two hand sides, intra- and inter-subject variability in terms of the motion patterns and agreement or disagreement with the model. The two outcomes, calibration results and trajectory reconstruction, both move towards the quantitative 3D underwater motion analysis.

Space Trajectory Error Analysis Program (STEAP) for halo orbit missions. Volume 2: Programmer's manual

NASA Technical Reports Server (NTRS)

Byrnes, D. V.; Carney, P. C.; Underwood, J. W.; Vogt, E. D.

1974-01-01

The six month effort was responsible for the development, test, conversion, and documentation of computer software for the mission analysis of missions to halo orbits about libration points in the earth-sun system. The software consisting of two programs called NOMNAL and ERRAN is part of the Space Trajectories Error Analysis Programs. The program NOMNAL targets a transfer trajectory from earth on a given launch date to a specified halo orbit on a required arrival date. Either impulsive or finite thrust insertion maneuvers into halo orbit are permitted by the program. The transfer trajectory is consistent with a realistic launch profile input by the user. The second program ERRAN conducts error analyses of the targeted transfer trajectory. Measurements including range, doppler, star-planet angles, and apparent planet diameter are processed in a Kalman-Schmidt filter to determine the trajectory knowledge uncertainty.

Trajectory Based Behavior Analysis for User Verification

NASA Astrophysics Data System (ADS)

Pao, Hsing-Kuo; Lin, Hong-Yi; Chen, Kuan-Ta; Fadlil, Junaidillah

Many of our activities on computer need a verification step for authorized access. The goal of verification is to tell apart the true account owner from intruders. We propose a general approach for user verification based on user trajectory inputs. The approach is labor-free for users and is likely to avoid the possible copy or simulation from other non-authorized users or even automatic programs like bots. Our study focuses on finding the hidden patterns embedded in the trajectories produced by account users. We employ a Markov chain model with Gaussian distribution in its transitions to describe the behavior in the trajectory. To distinguish between two trajectories, we propose a novel dissimilarity measure combined with a manifold learnt tuning for catching the pairwise relationship. Based on the pairwise relationship, we plug-in any effective classification or clustering methods for the detection of unauthorized access. The method can also be applied for the task of recognition, predicting the trajectory type without pre-defined identity. Given a trajectory input, the results show that the proposed method can accurately verify the user identity, or suggest whom owns the trajectory if the input identity is not provided.

14 CFR 417.207 - Trajectory analysis.

Code of Federal Regulations, 2011 CFR

2011-01-01

... after lift-off, the limits of a launch vehicle's normal flight, as defined by the nominal trajectory and... straight-up trajectory for any time after lift-off until the straight-up time that would result if the...

14 CFR 417.207 - Trajectory analysis.

Code of Federal Regulations, 2010 CFR

2010-01-01

... after lift-off, the limits of a launch vehicle's normal flight, as defined by the nominal trajectory and... straight-up trajectory for any time after lift-off until the straight-up time that would result if the...

Comparison of Multiple Molecular Dynamics Trajectories Calculated for the Drug-Resistant HIV-1 Integrase T66I/M154I Catalytic Domain

PubMed Central

Brigo, Alessandro; Lee, Keun Woo; Iurcu Mustata, Gabriela; Briggs, James M.

2005-01-01

HIV-1 integrase (IN) is an essential enzyme for the viral replication and an interesting target for the design of new pharmaceuticals for multidrug therapy of AIDS. Single and multiple mutations of IN at residues T66, S153, or M154 confer degrees of resistance to several inhibitors that prevent the enzyme from performing its normal strand transfer activity. Four different conformations of IN were chosen from a prior molecular dynamics (MD) simulation on the modeled IN T66I/M154I catalytic core domain as starting points for additional MD studies. The aim of this article is to understand the dynamic features that may play roles in the catalytic activity of the double mutant enzyme in the absence of any inhibitor. Moreover, we want to verify the influence of using different starting points on the MD trajectories and associated dynamical properties. By comparison of the trajectories obtained from these MD simulations we have demonstrated that the starting point does not affect the conformational space explored by this protein and that the time of the simulation is long enough to achieve convergence for this system. PMID:15764656

Overview of the Development for a Suite of Low-Thrust Trajectory Analysis Tools

NASA Technical Reports Server (NTRS)

Kos, Larry D.; Polsgrove, Tara; Hopkins, Randall; Thomas, Dan; Sims, Jon A.

2006-01-01

A NASA intercenter team has developed a suite of low-thrust trajectory analysis tools to make a significant improvement in three major facets of low-thrust trajectory and mission analysis. These are: 1) ease of use, 2) ability to more robustly converge to solutions, and 3) higher fidelity modeling and accuracy of results. Due mostly to the short duration of the development, the team concluded that a suite of tools was preferred over having one integrated tool. This tool-suite, their characteristics, and their applicability will be described. Trajectory analysts can read this paper and determine which tool is most appropriate for their problem.

A study of QM/Langevin-MD simulation for oxygen-evolving center of photosystem II

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

Uchida, Waka; Kimura, Yoshiro; Wakabayashi, Masamitsu

2013-12-10

We have performed three QM/Langevin-MD simulations for oxygen-evolving complex (OEC) and surrounding residues, which are different configurations of the oxidation numbers on Mn atoms in the Mn{sub 4}O{sub 5}Ca cluster. By analyzing these trajectories, we have observed sensitivity of the change to the configuration of Mn oxidation state on O atoms of carboxyl on three amino acids, Glu354, Ala344, and Glu333. The distances from Mn to O atoms in residues contacting with the Mn{sub 4}O{sub 5}Ca cluster were analyzed for the three trajectories. We found the good correlation of the distances among the simulations. However, the distances with Glu354, Ala344,more » and Glu333 have not shown the correlation. These residues can be sensitive index of the changes of Mn oxidation numbers.« less

Dynamics and intramolecular ligand binding of DtxR studied by MD simulations and NMR spectroscopy

NASA Astrophysics Data System (ADS)

Yi, Myunggi; Bhattacharya, Nilakshee; Zhou, Huan-Xiang

2005-11-01

Diphtheria toxin repressor (DtxR) regulates the expression of the diphtheria toxin gene through intramolecular ligand binding (Wylie et al., Biochemistry 2005, 44:40-51). Protein dynamics is essential to the binding process of the Pro-rich (Pr) ligand to the C-terminal SH3 domain. We present MD and NMR results on the dynamics and ligand interactions of a Pr-SH3 construct of DtxR. NMR relaxation data (T1, T2, and NOE) showed that the Pr ligand is very flexible, suggesting that it undergoes binding/unbinding transitions. A 50-ns MD trajectory of the protein was used to calculate T1, T2, and NOE, reproducing the NMR results for the SH3 domain but not for the Pr segment. During the MD simulation, the ligand stayed bound to the SH3 domain; thus the simulation represented the bound state. The NMR data for the Pr-segment could be explained by assuming that they represented the average behavior of a fast binding/unbinding exchange. Though unbinding was not observed in the MD simulation, the simulation did show large fluctuations of a loop which forms part of the wall of the binding pocket. The fluctuations led to opening up of the binding pocket, thus weakening the interaction with the Pr segment and perhaps ultimately leading to ligand unbinding.

Monte Carlo Analysis as a Trajectory Design Driver for the TESS Mission

NASA Technical Reports Server (NTRS)

Nickel, Craig; Lebois, Ryan; Lutz, Stephen; Dichmann, Donald; Parker, Joel

2016-01-01

The Transiting Exoplanet Survey Satellite (TESS) will be injected into a highly eccentric Earth orbit and fly 3.5 phasing loops followed by a lunar flyby to enter a mission orbit with lunar 2:1 resonance. Through the phasing loops and mission orbit, the trajectory is significantly affected by lunar and solar gravity. We have developed a trajectory design to achieve the mission orbit and meet mission constraints, including eclipse avoidance and a 30-year geostationary orbit avoidance requirement. A parallelized Monte Carlo simulation was performed to validate the trajectory after injecting common perturbations, including launch dispersions, orbit determination errors, and maneuver execution errors. The Monte Carlo analysis helped identify mission risks and is used in the trajectory selection process.

Space Trajectories Error Analysis (STEAP) Programs. Volume 1: Analytic manual, update

NASA Technical Reports Server (NTRS)

1971-01-01

Manual revisions are presented for the modified and expanded STEAP series. The STEAP 2 is composed of three independent but related programs: NOMAL for the generation of n-body nominal trajectories performing a number of deterministic guidance events; ERRAN for the linear error analysis and generalized covariance analysis along specific targeted trajectories; and SIMUL for testing the mathematical models used in the navigation and guidance process. The analytic manual provides general problem description, formulation, and solution and the detailed analysis of subroutines. The programmers' manual gives descriptions of the overall structure of the programs as well as the computational flow and analysis of the individual subroutines. The user's manual provides information on the input and output quantities of the programs. These are updates to N69-36472 and N69-36473.

75 FR 6162 - Airworthiness Directives; McDonnell Douglas Corporation Model DC-9-81 (MD-81), DC-9-82 (MD-82...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-08

... Corporation Model DC- 9-81 (MD-81), DC-9-82 (MD-82), DC-9-83 (MD-83), DC-9-87 (MD-87), and MD-88 Airplanes... Model DC-9-81 (MD-81), DC-9-82 (MD-82), DC-9-83 (MD-83), DC-9-87 (MD-87), and MD-88 airplanes. This...., Washington, DC 20590, between 9 a.m. and 5 p.m., Monday through Friday, except Federal holidays. For service...

Simulated trajectories error analysis program, version 2. Volume 2: Programmer's manual

NASA Technical Reports Server (NTRS)

Vogt, E. D.; Adams, G. L.; Working, M. M.; Ferguson, J. B.; Bynum, M. R.

1971-01-01

A series of three computer programs for the mathematical analysis of navigation and guidance of lunar and interplanetary trajectories was developed. All three programs require the integration of n-body trajectories for both interplanetary and lunar missions. The virutal mass technique is used in all three programs. The user's manual contains the information necessary to operate the programs. The input and output quantities of the programs are described. Sample cases are given and discussed.

gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

PubMed

Serçinoglu, Onur; Ozbek, Pemra

2018-05-25

Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

Trajectory-based heating analysis for the European Space Agency/Rosetta Earth Return Vehicle

NASA Technical Reports Server (NTRS)

Henline, William D.; Tauber, Michael E.

1994-01-01

A coupled, trajectory-based flowfield and material thermal-response analysis is presented for the European Space Agency proposed Rosetta comet nucleus sample return vehicle. The probe returns to earth along a hyperbolic trajectory with an entry velocity of 16.5 km/s and requires an ablative heat shield on the forebody. Combined radiative and convective ablating flowfield analyses were performed for the significant heating portion of the shallow ballistic entry trajectory. Both quasisteady ablation and fully transient analyses were performed for a heat shield composed of carbon-phenolic ablative material. Quasisteady analysis was performed using the two-dimensional axisymmetric codes RASLE and BLIMPK. Transient computational results were obtained from the one-dimensional ablation/conduction code CMA. Results are presented for heating, temperature, and ablation rate distributions over the probe forebody for various trajectory points. Comparison of transient and quasisteady results indicates that, for the heating pulse encountered by this probe, the quasisteady approach is conservative from the standpoint of predicted surface recession.

The symbolic computation and automatic analysis of trajectories

NASA Technical Reports Server (NTRS)

Grossman, Robert

1991-01-01

Research was generally done on computation of trajectories of dynamical systems, especially control systems. Algorithms were further developed for rewriting expressions involving differential operators. The differential operators involved arise in the local analysis of nonlinear control systems. An initial design was completed of the system architecture for software to analyze nonlinear control systems using data base computing.

Mars Exploration Rover Six-Degree-Of-Freedom Entry Trajectory Analysis

NASA Technical Reports Server (NTRS)

Desai, Prasun N.; Schoenenberger, Mark; Cheatwood, F. M.

2003-01-01

The Mars Exploration Rover mission will be the next opportunity for surface exploration of Mars in January 2004. Two rovers will be delivered to the surface of Mars using the same entry, descent, and landing scenario that was developed and successfully implemented by Mars Pathfinder. This investigation describes the trajectory analysis that was performed for the hypersonic portion of the MER entry. In this analysis, a six-degree-of-freedom trajectory simulation of the entry is performed to determine the entry characteristics of the capsules. In addition, a Monte Carlo analysis is also performed to statistically assess the robustness of the entry design to off-nominal conditions to assure that all entry requirements are satisfied. The results show that the attitude at peak heating and parachute deployment are well within entry limits. In addition, the parachute deployment dynamics pressure and Mach number are also well within the design requirements.

Sulforaphane inhibits the engagement of LPS with TLR4/MD2 complex by preferential binding to Cys133 in MD2.

PubMed

Koo, Jung Eun; Park, Zee-Yong; Kim, Nam Doo; Lee, Joo Young

2013-05-10

Toll-like receptors (TLRs) are key pattern-recognition receptors that recognize invading pathogens and non-microbial endogenous molecules to induce innate and adaptive immune responses. Since activation of TLRs is deeply implicated in the pathological progress of autoimmune diseases, sepsis, metabolic diseases, and cancer, modulation of TLR activity is considered one of the most important therapeutic approaches. Lipopolysaccharide (LPS), an endotoxin of gram-negative bacteria, is a well-known agonist for TLR4 triggering inflammation and septic shock. LPS interacts with TLR4 through binding to a hydrophobic pocket in myeloid differentiation 2 (MD2), a co-receptor of TLR4. In this study, we showed that sulforaphane (SFN) interfered with the binding of LPS to MD2 as determined by in vitro binding assay and co-immunoprecipitation of MD2 and LPS in a cell system. The inhibitory effect of SFN on the interaction of LPS and MD2 was reversed by thiol supplementation with N-acetyl-L-cysteine or dithiothreitol showing that the inhibitory effect of SFN is dependent on its thiol-modifying activity. Indeed, micro LC-MS/MS analysis showed that SFN preferentially formed adducts with Cys133 in the hydrophobic pocket of MD2, but not with Cys95 and Cys105. Molecular modeling showed that SFN bound to Cys133 blocks the engagement of LPS and lipid IVa to hydrophobic pocket of MD2. Our results demonstrate that SFN interrupts LPS engagement to TLR4/MD2 complex by direct binding to Cys133 in MD2. Our data suggest a novel mechanism for the anti-inflammatory activity of SFN, and provide a novel target for the regulation of TLR4-mediated inflammatory and immune responses by phytochemicals. Copyright © 2013 Elsevier Inc. All rights reserved.

Apple (Malus domestica) MdERF2 negatively affects ethylene biosynthesis during fruit ripening by suppressing MdACS1 transcription.

PubMed

Li, Tong; Jiang, Zhongyu; Zhang, Lichao; Tan, Dongmei; Wei, Yun; Yuan, Hui; Li, Tianlai; Wang, Aide

2016-12-01

Ripening in climacteric fruit requires the gaseous phytohormone ethylene. Although ethylene signaling has been well studied, knowledge of the transcriptional regulation of ethylene biosynthesis is still limited. Here we show that an apple (Malus domestica) ethylene response factor, MdERF2, negatively affects ethylene biosynthesis and fruit ripening by suppressing the transcription of MdACS1, a gene that is critical for biosynthesis of ripening-related ethylene. Expression of MdERF2 was suppressed by ethylene during ripening of apple fruit, and we observed that MdERF2 bound to the promoter of MdACS1 and directly suppressed its transcription. Moreover, MdERF2 suppressed the activity of the promoter of MdERF3, a transcription factor that we found to bind to the MdACS1 promoter, thereby increasing MdACS1 transcription. We determined that the MdERF2 and MdERF3 proteins directly interact, and this interaction suppresses the binding of MdERF3 to the MdACS1 promoter. Moreover, apple fruit with transiently downregulated MdERF2 expression showed higher ethylene production and faster ripening. Our results indicate that MdERF2 negatively affects ethylene biosynthesis and fruit ripening in apple by suppressing the transcription of MdACS1 via multiple mechanisms, thereby acting as an antagonist of positive ripening regulators. Our findings offer a deep understanding of the transcriptional regulation of ethylene biosynthesis during climacteric fruit ripening. © 2016 The Authors The Plant Journal © 2016 John Wiley & Sons Ltd.

An Apple Protein Kinase MdSnRK1.1 Interacts with MdCAIP1 to Regulate ABA Sensitivity.

PubMed

Liu, Xiao-Juan; Liu, Xin; An, Xiu-Hong; Han, Peng-Liang; You, Chun-Xiang; Hao, Yu-Jin

2017-10-01

ABA is a crucial phytohormone for development and stress responses in plants. Snf1-related protein kinase 1.1 (SnRK1.1) is involved in the ABA response. However, the molecular mechanism underlying the SnRK1.1 response to ABA is largely unknown. Here, it was found that overexpression of the apple MdSnRK1.1 gene enhanced ABA sensitivity in both transgenic apple calli and Arabidopsis seedlings. Subsequently, a yeast two-hybrid screen demonstrated that MdCAIP1 (C2-domain ABA Insensitive Protein1) interacted with MdSnRK1.1. Their interaction was further confirmed by pull-down and co-immunoprecipitation assays. Expression of the MdCAIP1 gene was positively induced by ABA. Its overexpression enhanced ABA sensitivity in transgenic apple calli. Furthermore, it was found that MdSnRK1.1 phosphorylated the MdCAIP1 protein in vivo and promoted its degradation in vitro and in vivo. As a result, MdSnRK1.1 inhibited MdCAIP1-mediated ABA sensitivity, and MdCAIP1 partially reduced MdSnRK1.1-mediated ABA sensitivity. Our findings indicate that MdSnRK1.1 plays an important role in the ABA response, partially by controlling the stability of the MdCAIP1 protein. © The Author 2017. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Sensitivity Analysis and Mitigation with Applications to Ballistic and Low-thrust Trajectory Design

NASA Astrophysics Data System (ADS)

Alizadeh, Iman

The ever increasing desire to expand space mission capabilities within the limited budgets of space industries requires new approaches to the old problem of spacecraft trajectory design. For example, recent initiatives for space exploration involve developing new tools to design low-cost, fail-safe trajectories to visit several potential destinations beyond our celestial neighborhood such as Jupiter's moons, asteroids, etc. Designing and navigating spacecraft trajectories to reach these destinations safely are complex and challenging. In particular, fundamental questions of orbital stability imposed by planetary protection requirements are not easily taken into account by standard optimal control schemes. The event of temporary engine loss or an unexpected missed thrust can indeed quickly lead to impact with planetary bodies or other unrecoverable trajectories. While electric propulsion technology provides superior efficiency compared to chemical engines, the very low-control authority and engine performance degradation can impose higher risk to the mission in strongly perturbed orbital environments. The risk is due to the complex gravitational field and its associated chaotic dynamics which causes large navigation dispersions in a short time if left un-controlled. Moreover, in these situations it can be outside the low-thrust propulsion system capability to correct the spacecraft trajectory in a reasonable time frame. These concerns can lead to complete or partial mission failure or even an infeasible mission concept at the early design stage. The goal of this research is to assess and increase orbital stability of ballistic and low-thrust transfer trajectories in multi-body systems. In particular, novel techniques are presented to characterize sensitivity and improve recovery characteristics of ballistic and low-thrust trajectories in unstable orbital environments. The techniques developed are based on perturbation analysis around ballistic trajectories to

Apple RING E3 ligase MdMIEL1 inhibits anthocyanin accumulation by ubiquitinating and degrading MdMYB1 protein.

PubMed

An, Jian-Ping; Liu, Xin; Li, Hao-Hao; You, Chun-Xiang; Wang, Xiao-Fei; Hao, Yu-Jin

2017-11-01

MdMYB1 is an important regulator for anthocyanin accumulation in apple (Malus × domestica). Here, an apple RING E3 ligase, MdMIEL1, was screened out as a partner of MdMYB1 with a yeast two-hybrid approach. Pull-down, bimolecular fluorescence complementation and coimmunoprecipitation assays further verified the interaction between MdMIEL1 and MdMYB1 proteins. Subsequently, in vitro and in vivo experiments indicated that MdMIEL1 functioned as a ubiquitin E3 ligase to ubiquitinate MdMYB1 protein, followed by degradation through a 26S proteasome pathway. Furthermore, transgenic studies in apple calli and Arabidopsis demonstrated that MdMIEL1 negatively regulated anthocyanin accumulation by modulating the degradation of MdMYB1 protein. Taken together, our findings provide a new insight into the molecular mechanism by which MdMIEL1 negatively regulates anthocyanin biosynthesis by ubiquitinating and degrading MdMYB1 protein. © The Author 2017. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Analysis of self-overlap reveals trade-offs in plankton swimming trajectories

PubMed Central

Bianco, Giuseppe; Mariani, Patrizio; Visser, Andre W.; Mazzocchi, Maria Grazia; Pigolotti, Simone

2014-01-01

Movement is a fundamental behaviour of organisms that not only brings about beneficial encounters with resources and mates, but also at the same time exposes the organism to dangerous encounters with predators. The movement patterns adopted by organisms should reflect a balance between these contrasting processes. This trade-off can be hypothesized as being evident in the behaviour of plankton, which inhabit a dilute three-dimensional environment with few refuges or orienting landmarks. We present an analysis of the swimming path geometries based on a volumetric Monte Carlo sampling approach, which is particularly adept at revealing such trade-offs by measuring the self-overlap of the trajectories. Application of this method to experimentally measured trajectories reveals that swimming patterns in copepods are shaped to efficiently explore volumes at small scales, while achieving a large overlap at larger scales. Regularities in the observed trajectories make the transition between these two regimes always sharper than in randomized trajectories or as predicted by random walk theory. Thus, real trajectories present a stronger separation between exploration for food and exposure to predators. The specific scale and features of this transition depend on species, gender and local environmental conditions, pointing at adaptation to state and stage-dependent evolutionary trade-offs. PMID:24789560

Analysis of Video-Based Microscopic Particle Trajectories Using Kalman Filtering

PubMed Central

Wu, Pei-Hsun; Agarwal, Ashutosh; Hess, Henry; Khargonekar, Pramod P.; Tseng, Yiider

2010-01-01

Abstract The fidelity of the trajectories obtained from video-based particle tracking determines the success of a variety of biophysical techniques, including in situ single cell particle tracking and in vitro motility assays. However, the image acquisition process is complicated by system noise, which causes positioning error in the trajectories derived from image analysis. Here, we explore the possibility of reducing the positioning error by the application of a Kalman filter, a powerful algorithm to estimate the state of a linear dynamic system from noisy measurements. We show that the optimal Kalman filter parameters can be determined in an appropriate experimental setting, and that the Kalman filter can markedly reduce the positioning error while retaining the intrinsic fluctuations of the dynamic process. We believe the Kalman filter can potentially serve as a powerful tool to infer a trajectory of ultra-high fidelity from noisy images, revealing the details of dynamic cellular processes. PMID:20550894

Mars Hybrid Propulsion System Trajectory Analysis. Part I; Crew Missions

NASA Technical Reports Server (NTRS)

Chai, Patrick R.; Merrill, Raymond G.; Qu, Min

2015-01-01

NASAs Human spaceflight Architecture team is developing a reusable hybrid transportation architecture in which both chemical and electric propulsion systems are used to send crew and cargo to Mars destinations such as Phobos, Deimos, the surface of Mars, and other orbits around Mars. By combining chemical and electrical propulsion into a single space- ship and applying each where it is more effective, the hybrid architecture enables a series of Mars trajectories that are more fuel-efficient than an all chemical architecture without significant increases in flight times. This paper provides the analysis of the interplanetary segments of the three Evolvable Mars Campaign crew missions to Mars using the hybrid transportation architecture. The trajectory analysis provides departure and arrival dates and propellant needs for the three crew missions that are used by the campaign analysis team for campaign build-up and logistics aggregation analysis. Sensitivity analyses were performed to investigate the impact of mass growth, departure window, and propulsion system performance on the hybrid transportation architecture. The results and system analysis from this paper contribute to analyses of the other human spaceflight architecture team tasks and feed into the definition of the Evolvable Mars Campaign.

Analysis of Petal Rotation Trajectory Characteristics

NASA Technical Reports Server (NTRS)

Anderson, Rodney L.; Campagnola, Stefano; Buffington, Brent B.

2014-01-01

In this study, the characteristics of petal rotation trajectories are explored in both the two-body and circular restricted three-body problem (CRTBP) models. Petal rotation trajectories alternate long and short resonances of different kinds to rotate the line of apsides. They are typically computed using the patched conic model, and they are used in a number of different missions and mission concepts including Cassini, JUICE, and Europa mission concepts. Petal rotation trajectories are first analyzed here using the patched conic model to quantify their characteristics and search for cases with fast rotation of the line of apsides. When they are computed in the CRTBP, they are unstable periodic orbits with corresponding stable and unstable manifolds. The characteristics of these orbits are explored from a dynamical systems perspective in the second phase of the study.

Trajectory Planning by Preserving Flexibility: Metrics and Analysis

NASA Technical Reports Server (NTRS)

Idris, Husni R.; El-Wakil, Tarek; Wing, David J.

2008-01-01

In order to support traffic management functions, such as mitigating traffic complexity, ground and airborne systems may benefit from preserving or optimizing trajectory flexibility. To help support this hypothesis trajectory flexibility metrics have been defined in previous work to represent the trajectory robustness and adaptability to the risk of violating safety and traffic management constraints. In this paper these metrics are instantiated in the case of planning a trajectory with the heading degree of freedom. A metric estimation method is presented based on simplifying assumptions, namely discrete time and heading maneuvers. A case is analyzed to demonstrate the estimation method and its use in trajectory planning in a situation involving meeting a time constraint and avoiding loss of separation with nearby traffic. The case involves comparing path-stretch trajectories, in terms of adaptability and robustness along each, deduced from a map of estimated flexibility metrics over the solution space. The case demonstrated anecdotally that preserving flexibility may result in enhancing certain factors that contribute to traffic complexity, namely reducing proximity and confrontation.

RadNet Air Data From Baltimore, MD

EPA Pesticide Factsheets

This page presents radiation air monitoring and air filter analysis data for Baltimore, MD from EPA's RadNet system. RadNet is a nationwide network of monitoring stations that measure radiation in air, drinking water and precipitation.

A Dimensionality Reduction-Based Multi-Step Clustering Method for Robust Vessel Trajectory Analysis

PubMed Central

Liu, Jingxian; Wu, Kefeng

2017-01-01

The Shipboard Automatic Identification System (AIS) is crucial for navigation safety and maritime surveillance, data mining and pattern analysis of AIS information have attracted considerable attention in terms of both basic research and practical applications. Clustering of spatio-temporal AIS trajectories can be used to identify abnormal patterns and mine customary route data for transportation safety. Thus, the capacities of navigation safety and maritime traffic monitoring could be enhanced correspondingly. However, trajectory clustering is often sensitive to undesirable outliers and is essentially more complex compared with traditional point clustering. To overcome this limitation, a multi-step trajectory clustering method is proposed in this paper for robust AIS trajectory clustering. In particular, the Dynamic Time Warping (DTW), a similarity measurement method, is introduced in the first step to measure the distances between different trajectories. The calculated distances, inversely proportional to the similarities, constitute a distance matrix in the second step. Furthermore, as a widely-used dimensional reduction method, Principal Component Analysis (PCA) is exploited to decompose the obtained distance matrix. In particular, the top k principal components with above 95% accumulative contribution rate are extracted by PCA, and the number of the centers k is chosen. The k centers are found by the improved center automatically selection algorithm. In the last step, the improved center clustering algorithm with k clusters is implemented on the distance matrix to achieve the final AIS trajectory clustering results. In order to improve the accuracy of the proposed multi-step clustering algorithm, an automatic algorithm for choosing the k clusters is developed according to the similarity distance. Numerous experiments on realistic AIS trajectory datasets in the bridge area waterway and Mississippi River have been implemented to compare our proposed method with

Visualizing global properties of a molecular dynamics trajectory.

PubMed

Zhou, Hao; Li, Shangyang; Makowski, Lee

2016-01-01

Molecular dynamics (MD) trajectories are very large data sets that contain substantial information about the dynamic behavior of a protein. Condensing these data into a form that can provide intuitively useful understanding of the molecular behavior during the trajectory is a substantial challenge that has received relatively little attention. Here, we introduce the sigma-r plot, a plot of the standard deviation of intermolecular distances as a function of that distance. This representation of global dynamics contains within a single, one-dimensional plot, the average range of motion between pairs of atoms within a macromolecule. Comparison of sigma-r plots calculated from 10 ns trajectories of proteins representing the four major SCOP fold classes indicates diversity of dynamic behaviors which are recognizably different among the four classes. Differences in domain structure and molecular weight also produce recognizable features in sigma-r plots, reflective of differences in global dynamics. Plots generated from trajectories with progressively increasing simulation time reflect the increased sampling of the structural ensemble as a function of time. Single amino acid replacements can give rise to changes in global dynamics detectable through comparison of sigma-r plots. Dynamic behavior of substructures can be monitored by careful choice of interatomic vectors included in the calculation. These examples provide demonstrations of the utility of the sigma-r plot to provide a simple measure of the global dynamics of a macromolecule. © 2015 Wiley Periodicals, Inc.

Multivariate frequency domain analysis of protein dynamics

NASA Astrophysics Data System (ADS)

Matsunaga, Yasuhiro; Fuchigami, Sotaro; Kidera, Akinori

2009-03-01

Multivariate frequency domain analysis (MFDA) is proposed to characterize collective vibrational dynamics of protein obtained by a molecular dynamics (MD) simulation. MFDA performs principal component analysis (PCA) for a bandpass filtered multivariate time series using the multitaper method of spectral estimation. By applying MFDA to MD trajectories of bovine pancreatic trypsin inhibitor, we determined the collective vibrational modes in the frequency domain, which were identified by their vibrational frequencies and eigenvectors. At near zero temperature, the vibrational modes determined by MFDA agreed well with those calculated by normal mode analysis. At 300 K, the vibrational modes exhibited characteristic features that were considerably different from the principal modes of the static distribution given by the standard PCA. The influences of aqueous environments were discussed based on two different sets of vibrational modes, one derived from a MD simulation in water and the other from a simulation in vacuum. Using the varimax rotation, an algorithm of the multivariate statistical analysis, the representative orthogonal set of eigenmodes was determined at each vibrational frequency.

Ares I-X Best Estimated Trajectory Analysis and Results

NASA Technical Reports Server (NTRS)

Karlgaard, Christopher D.; Beck, Roger E.; Starr, Brett R.; Derry, Stephen D.; Brandon, Jay; Olds, Aaron D.

2011-01-01

The Ares I-X trajectory reconstruction produced best estimated trajectories of the flight test vehicle ascent through stage separation, and of the first and upper stage entries after separation. The trajectory reconstruction process combines on-board, ground-based, and atmospheric measurements to produce the trajectory estimates. The Ares I-X vehicle had a number of on-board and ground based sensors that were available, including inertial measurement units, radar, air-data, and weather balloons. However, due to problems with calibrations and/or data, not all of the sensor data were used. The trajectory estimate was generated using an Iterative Extended Kalman Filter algorithm, which is an industry standard processing algorithm for filtering and estimation applications. This paper describes the methodology and results of the trajectory reconstruction process, including flight data preprocessing and input uncertainties, trajectory estimation algorithms, output transformations, and comparisons with preflight predictions.

MdSOS2L1 phosphorylates MdVHA-B1 to modulate malate accumulation in response to salinity in apple.

PubMed

Hu, Da-Gang; Sun, Cui-Hui; Sun, Mei-Hong; Hao, Yu-Jin

2016-03-01

Salt-induced phosphorylation of MdVHA-B1 protein was mediated by MdSOS2L1 protein kinase, and thereby increasing malate content in apple. Salinity is an important environmental factor that influences malate accumulation in apple. However, the molecular mechanism by which salinity regulates this process is poorly understood. In this work, we found that MdSOS2L1, a novel AtSOS2-LIKE protein kinase, interacts with V-ATPase subunit MdVHA-B1. Furthermore, MdSOS2L1 directly phosphorylates MdVHA-B1 at Ser(396) site to modulate malate accumulation in response to salt stress. Meanwhile, a series of transgenic analyses in apple calli showed that the MdSOS2L1-MdVHAB1 pathway was involved in the regulation of malate accumulation. Finally, a viral vector-based transformation approach demonstrated that the MdSOS2L1-MdVHAB1 pathway also modulated malate accumulation in apple fruits with or without salt stress. Collectively, our findings provide a new insight into the mechanism by which MdSOS2L1 phosphorylates MdVHA-B1 to modulate malate accumulation in response to salinity in apple.

Space Trajectory Error Analysis Program (STEAP) for halo orbit missions. Volume 1: Analytic and user's manual

NASA Technical Reports Server (NTRS)

Byrnes, D. V.; Carney, P. C.; Underwood, J. W.; Vogt, E. D.

1974-01-01

Development, test, conversion, and documentation of computer software for the mission analysis of missions to halo orbits about libration points in the earth-sun system is reported. The software consisting of two programs called NOMNAL and ERRAN is part of the Space Trajectories Error Analysis Programs (STEAP). The program NOMNAL targets a transfer trajectory from Earth on a given launch date to a specified halo orbit on a required arrival date. Either impulsive or finite thrust insertion maneuvers into halo orbit are permitted by the program. The transfer trajectory is consistent with a realistic launch profile input by the user. The second program ERRAN conducts error analyses of the targeted transfer trajectory. Measurements including range, doppler, star-planet angles, and apparent planet diameter are processed in a Kalman-Schmidt filter to determine the trajectory knowledge uncertainty. Execution errors at injection, midcourse correction and orbit insertion maneuvers are analyzed along with the navigation uncertainty to determine trajectory control uncertainties and fuel-sizing requirements. The program is also capable of generalized covariance analyses.

Conduct problems trajectories and psychosocial outcomes: a systematic review and meta-analysis.

PubMed

Bevilacqua, Leonardo; Hale, Daniel; Barker, Edward D; Viner, Russell

2017-10-06

There is increasing evidence that youth who follow the early onset persistent (EOP), adolescent-onset (AO) and childhood-limited (CL) trajectories of conduct problems show varying patterns of health, mental health, educational, and social outcomes in adulthood. However, there has been no systematic review and meta-analysis on outcomes associated with different conduct problems trajectories. We systematically reviewed the literature of longitudinal studies considering outcomes of three conduct problems trajectories: EOP, AO, and CL compared with individuals with low levels of conduct problems (low). We performed a series of meta-analyses comparing each trajectory to the low group for eight different outcomes in early adulthood or later. Thirteen studies met our inclusion criteria. Outcomes were mental health (depression), cannabis use, alcohol use, self-reported aggression, official records of antisocial behaviour, poor general health, poor education, and poor employment. Overall, EOP individuals showed significant higher risk of poor outcome followed by AO individuals, CL individuals, and finally participants in the low group. All conduct problems trajectories showed higher risk of poor psychosocial outcomes compared to the low group, but the magnitude of risk differed across trajectories, with a general trend for the EOP to perform significantly worse, followed by the AO and CL. Early intervention is recommended across domains to maximise likelihood of desistance from antisocial behaviour and improvement on several psychosocial outcomes.

[MD PhD programs: Providing basic science education for ophthalmologists].

PubMed

Spaniol, K; Geerling, G

2015-06-01

Enrollment in MD PhD programs offers the opportunity of a basic science education for medical students and doctors. These programs originated in the USA where structured programs have been offered for many years, but now German universities also run MD PhD programs. The MD PhD programs provided by German universities were investigated regarding entrance requirements, structure and financing modalities. An internet and telephone-based search was carried out. Out of 34 German universities 22 offered MD PhD programs. At 15 of the 22 universities a successfully completed course of studies in medicine was required for enrollment, 7 programs admitted medical students in training and 7 programs required a medical doctoral thesis, which had to be completed with at least a grade of magna cum laude in 3 cases. Financing required scholarships in many cases. Several German universities currently offer MD PhD programs; however, these differ considerably regarding entrance requirements, structure and financing. A detailed analysis investigating the success rates of these programs (e.g. successful completion and career paths of graduates) would be of benefit.

Optimal solar sail planetocentric trajectories

NASA Technical Reports Server (NTRS)

Sackett, L. L.

1977-01-01

The analysis of solar sail planetocentric optimal trajectory problem is described. A computer program was produced to calculate optimal trajectories for a limited performance analysis. A square sail model is included and some consideration is given to a heliogyro sail model. Orbit to a subescape point and orbit to orbit transfer are considered. Trajectories about the four inner planets can be calculated and shadowing, oblateness, and solar motion may be included. Equinoctial orbital elements are used to avoid the classical singularities, and the method of averaging is applied to increase computational speed. Solution of the two-point boundary value problem which arises from the application of optimization theory is accomplished with a Newton procedure. Time optimal trajectories are emphasized, but a penalty function has been considered to prevent trajectories which intersect a planet's surface.

Partially Glycosylated Dendrimers Block MD-2 and Prevent TLR4-MD-2-LPS Complex Mediated Cytokine Responses

PubMed Central

Barata, Teresa S.; Teo, Ian; Brocchini, Steve; Zloh, Mire; Shaunak, Sunil

2011-01-01

The crystal structure of the TLR4-MD-2-LPS complex responsible for triggering powerful pro-inflammatory cytokine responses has recently become available. Central to cell surface complex formation is binding of lipopolysaccharide (LPS) to soluble MD-2. We have previously shown, in biologically based experiments, that a generation 3.5 PAMAM dendrimer with 64 peripheral carboxylic acid groups acts as an antagonist of pro-inflammatory cytokine production after surface modification with 8 glucosamine molecules. We have also shown using molecular modelling approaches that this partially glycosylated dendrimer has the flexibility, cluster density, surface electrostatic charge, and hydrophilicity to make it a therapeutically useful antagonist of complex formation. These studies enabled the computational study of the interactions of the unmodified dendrimer, glucosamine, and of the partially glycosylated dendrimer with TLR4 and MD-2 using molecular docking and molecular dynamics techniques. They demonstrate that dendrimer glucosamine forms co-operative electrostatic interactions with residues lining the entrance to MD-2's hydrophobic pocket. Crucially, dendrimer glucosamine interferes with the electrostatic binding of: (i) the 4′phosphate on the di-glucosamine of LPS to Ser118 on MD-2; (ii) LPS to Lys91 on MD-2; (iii) the subsequent binding of TLR4 to Tyr102 on MD-2. This is followed by additional co-operative interactions between several of the dendrimer glucosamine's carboxylic acid branches and MD-2. Collectively, these interactions block the entry of the lipid chains of LPS into MD-2's hydrophobic pocket, and also prevent TLR4-MD-2-LPS complex formation. Our studies have therefore defined the first nonlipid-based synthetic MD-2 antagonist using both animal model-based studies of pro-inflammatory cytokine responses and molecular modelling studies of a whole dendrimer with its target protein. Using this approach, it should now be possible to computationally design

Data Flow Analysis and Visualization for Spatiotemporal Statistical Data without Trajectory Information.

PubMed

Kim, Seokyeon; Jeong, Seongmin; Woo, Insoo; Jang, Yun; Maciejewski, Ross; Ebert, David S

2018-03-01

Geographic visualization research has focused on a variety of techniques to represent and explore spatiotemporal data. The goal of those techniques is to enable users to explore events and interactions over space and time in order to facilitate the discovery of patterns, anomalies and relationships within the data. However, it is difficult to extract and visualize data flow patterns over time for non-directional statistical data without trajectory information. In this work, we develop a novel flow analysis technique to extract, represent, and analyze flow maps of non-directional spatiotemporal data unaccompanied by trajectory information. We estimate a continuous distribution of these events over space and time, and extract flow fields for spatial and temporal changes utilizing a gravity model. Then, we visualize the spatiotemporal patterns in the data by employing flow visualization techniques. The user is presented with temporal trends of geo-referenced discrete events on a map. As such, overall spatiotemporal data flow patterns help users analyze geo-referenced temporal events, such as disease outbreaks, crime patterns, etc. To validate our model, we discard the trajectory information in an origin-destination dataset and apply our technique to the data and compare the derived trajectories and the original. Finally, we present spatiotemporal trend analysis for statistical datasets including twitter data, maritime search and rescue events, and syndromic surveillance.

Trajectory analysis via a geometric feature space approach

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

Rintoul, Mark D.; Wilson, Andrew T.

This study aimed to organize a body of trajectories in order to identify, search for and classify both common and uncommon behaviors among objects such as aircraft and ships. Existing comparison functions such as the Fréchet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as the total distance traveled and the distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally,more » these features can generally be mapped easily to behaviors of interest to humans who are searching large databases. Most of these geometric features are invariant under rigid transformation. Furthermore, we demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories and identify outliers.« less

Trajectory analysis via a geometric feature space approach

DOE PAGES

Rintoul, Mark D.; Wilson, Andrew T.

2015-10-05

This study aimed to organize a body of trajectories in order to identify, search for and classify both common and uncommon behaviors among objects such as aircraft and ships. Existing comparison functions such as the Fréchet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as the total distance traveled and the distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally,more » these features can generally be mapped easily to behaviors of interest to humans who are searching large databases. Most of these geometric features are invariant under rigid transformation. Furthermore, we demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories and identify outliers.« less

Maximum likelihood-based analysis of single-molecule photon arrival trajectories

NASA Astrophysics Data System (ADS)

Hajdziona, Marta; Molski, Andrzej

2011-02-01

In this work we explore the statistical properties of the maximum likelihood-based analysis of one-color photon arrival trajectories. This approach does not involve binning and, therefore, all of the information contained in an observed photon strajectory is used. We study the accuracy and precision of parameter estimates and the efficiency of the Akaike information criterion and the Bayesian information criterion (BIC) in selecting the true kinetic model. We focus on the low excitation regime where photon trajectories can be modeled as realizations of Markov modulated Poisson processes. The number of observed photons is the key parameter in determining model selection and parameter estimation. For example, the BIC can select the true three-state model from competing two-, three-, and four-state kinetic models even for relatively short trajectories made up of 2 × 103 photons. When the intensity levels are well-separated and 104 photons are observed, the two-state model parameters can be estimated with about 10% precision and those for a three-state model with about 20% precision.

Maximum likelihood-based analysis of single-molecule photon arrival trajectories.

PubMed

Hajdziona, Marta; Molski, Andrzej

2011-02-07

In this work we explore the statistical properties of the maximum likelihood-based analysis of one-color photon arrival trajectories. This approach does not involve binning and, therefore, all of the information contained in an observed photon strajectory is used. We study the accuracy and precision of parameter estimates and the efficiency of the Akaike information criterion and the Bayesian information criterion (BIC) in selecting the true kinetic model. We focus on the low excitation regime where photon trajectories can be modeled as realizations of Markov modulated Poisson processes. The number of observed photons is the key parameter in determining model selection and parameter estimation. For example, the BIC can select the true three-state model from competing two-, three-, and four-state kinetic models even for relatively short trajectories made up of 2 × 10(3) photons. When the intensity levels are well-separated and 10(4) photons are observed, the two-state model parameters can be estimated with about 10% precision and those for a three-state model with about 20% precision.

Spacecraft Trajectory Analysis and Mission Planning Simulation (STAMPS) Software

NASA Technical Reports Server (NTRS)

Puckett, Nancy; Pettinger, Kris; Hallstrom,John; Brownfield, Dana; Blinn, Eric; Williams, Frank; Wiuff, Kelli; McCarty, Steve; Ramirez, Daniel; Lamotte, Nicole;

Soccer Ball Lift Coefficients via Trajectory Analysis

ERIC Educational Resources Information Center

Goff, John Eric; Carre, Matt J.

2010-01-01

We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

Educational Aspirations Trajectories in England

ERIC Educational Resources Information Center

McCulloch, Andrew

2017-01-01

This study used latent class analysis to examine the trajectories followed by young people's educational aspirations in England over the age range from 13 to 16 years and their relationship to educational achievement. The results suggested that young people's aspirations followed six trajectories. Four trajectories showed overall patterns of…

Educational Progress of Looked-After Children in England: A Study Using Group Trajectory Analysis.

PubMed

Sutcliffe, Alastair G; Gardiner, Julian; Melhuish, Edward

2017-09-01

Looked-after children in local authority care are among the most disadvantaged, and measures of their well-being, including educational outcomes, are poorer than other children's. The study sample consisted of all children in England born in academic years 1993 to 1994 through 1997 to 1998 who were in local authority care at any point during the academic years 2005 to 2006 through 2012 to 2013 and for whom results of national tests in literacy and numeracy were available at ages 7, 11, and 16 ( N = 47 500). Group trajectory analysis of children's educational progress identified 5 trajectory groups: low achievement, late improvement, late decline, predominant, and high achievement. Being looked after earlier was associated with a higher probability of following a high achievement trajectory and a lower probability of following a late decline trajectory. For children first looked after between ages 7 and 16, having a longer total time looked after by age 16 was associated with a higher probability of following a high achievement trajectory. For children with poor outcomes at ages 7 and 11, being looked after by age 16 was associated with an increased chance of educational improvement by age 16. This study provides evidence that early entry into care can reduce the risk of poor educational outcomes. It also establishes group trajectory analysis as an effective method for analyzing the educational progress of looked-after children, with the particular strength that it allows factors associated with a late decline or improvement in educational progress to be identified. Copyright © 2017 by the American Academy of Pediatrics.

mdFoam+: Advanced molecular dynamics in OpenFOAM

NASA Astrophysics Data System (ADS)

Longshaw, S. M.; Borg, M. K.; Ramisetti, S. B.; Zhang, J.; Lockerby, D. A.; Emerson, D. R.; Reese, J. M.

2018-03-01

This paper introduces mdFoam+, which is an MPI parallelised molecular dynamics (MD) solver implemented entirely within the OpenFOAM software framework. It is open-source and released under the same GNU General Public License (GPL) as OpenFOAM. The source code is released as a publicly open software repository that includes detailed documentation and tutorial cases. Since mdFoam+ is designed entirely within the OpenFOAM C++ object-oriented framework, it inherits a number of key features. The code is designed for extensibility and flexibility, so it is aimed first and foremost as an MD research tool, in which new models and test cases can be developed and tested rapidly. Implementing mdFoam+ in OpenFOAM also enables easier development of hybrid methods that couple MD with continuum-based solvers. Setting up MD cases follows the standard OpenFOAM format, as mdFoam+ also relies upon the OpenFOAM dictionary-based directory structure. This ensures that useful pre- and post-processing capabilities provided by OpenFOAM remain available even though the fully Lagrangian nature of an MD simulation is not typical of most OpenFOAM applications. Results show that mdFoam+ compares well to another well-known MD code (e.g. LAMMPS) in terms of benchmark problems, although it also has additional functionality that does not exist in other open-source MD codes.

ATP Hydrolysis Induced Conformational Changes in the Vitamin B12 Transporter BtuCD Revealed by MD Simulations

PubMed Central

Pan, Chao; Weng, Jingwei; Wang, Wenning

2016-01-01

ATP binding cassette (ABC) transporters utilize the energy of ATP hydrolysis to uni-directionally transport substrates across cell membrane. ATP hydrolysis occurs at the nucleotide-binding domain (NBD) dimer interface of ABC transporters, whereas substrate translocation takes place at the translocation pathway between the transmembrane domains (TMDs), which is more than 30 angstroms away from the NBD dimer interface. This raises the question of how the hydrolysis energy released at NBDs is “transmitted” to trigger the conformational changes at TMDs. Using molecular dynamics (MD) simulations, we studied the post-hydrolysis state of the vitamin B12 importer BtuCD. Totally 3-μs MD trajectories demonstrate a predominantly asymmetric arrangement of the NBD dimer interface, with the ADP-bound site disrupted and the ATP-bound site preserved in most of the trajectories. TMDs response to ATP hydrolysis by separation of the L-loops and opening of the cytoplasmic gate II, indicating that hydrolysis of one ATP could facilitate substrate translocation by opening the cytoplasmic end of translocation pathway. It was also found that motions of the L-loops and the cytoplasmic gate II are coupled with each other through a contiguous interaction network involving a conserved Asn83 on the extended stretch preceding TM3 helix plus the cytoplasmic end of TM2/6/7 helix bundle. These findings entail a TMD-NBD communication mechanism for type II ABC importers. PMID:27870912

Trajectory and Aeroheating Environment Development and Sensitivity Analysis for Capsule-shaped Vehicles

NASA Technical Reports Server (NTRS)

Robinson, Jeffrey S.; Wurster, Kathryn E.

2006-01-01

Recently, NASA's Exploration Systems Research and Technology Project funded several tasks that endeavored to develop and evaluate various thermal protection systems and high temperature material concepts for potential use on the crew exploration vehicle. In support of these tasks, NASA Langley's Vehicle Analysis Branch generated trajectory information and associated aeroheating environments for more than 60 unique entry cases. Using the Apollo Command Module as the baseline entry system because of its relevance to the favored crew exploration vehicle design, trajectories for a range of lunar and Mars return, direct and aerocapture Earth-entry scenarios were developed. For direct entry, a matrix of cases was created that reflects reasonably expected minimum and maximum values of vehicle ballistic coefficient, inertial velocity at entry interface, and inertial flight path angle at entry interface. For aerocapture, trajectories were generated for a range of values of initial velocity and ballistic coefficient that, when combined with proper initial flight path angles, resulted in achieving a low Earth orbit either by employing a full lift vector up or full lift vector down attitude. For each trajectory generated, aeroheating environments were generated which were intended to bound the thermal protection system requirements for likely crew exploration vehicle concepts. The trades examined clearly pointed to a range of missions / concepts that will require ablative systems as well as a range for which reusable systems may be feasible. In addition, the results clearly indicated those entry conditions and modes suitable for manned flight, considering vehicle deceleration levels experienced during entry. This paper presents an overview of the analysis performed, including the assumptions, methods, and general approach used, as well as a summary of the trajectory and aerothermal environment information that was generated.

"Structure-making" ability of Na+ in dilute aqueous solution: an ONIOM-XS MD simulation study.

PubMed

Sripa, Pattrawan; Tongraar, Anan; Kerdcharoen, Teerakiat

2013-02-28

An ONIOM-XS MD simulation has been performed to characterize the "structure-making" ability of Na(+) in dilute aqueous solution. The region of most interest, i.e., a sphere that includes Na(+) and its surrounding water molecules, was treated at the HF level of accuracy using LANL2DZ and DZP basis sets for the ion and waters, respectively, whereas the rest of the system was described by classical pair potentials. Detailed analyzes of the ONIOM-XS MD trajectories clearly show that Na(+) is able to order the structure of waters in its surroundings, forming two prevalent Na(+)(H(2)O)(5) and Na(+)(H(2)O)(6) species. Interestingly, it is observed that these 5-fold and 6-fold coordinated complexes can convert back and forth with some degrees of flexibility, leading to frequent rearrangements of the Na(+) hydrates as well as numerous attempts of inner-shell water molecules to interchange with waters in the outer region. Such a phenomenon clearly demonstrates the weak "structure-making" ability of Na(+) in aqueous solution.

MdHIR proteins repress anthocyanin accumulation by interacting with the MdJAZ2 protein to inhibit its degradation in apples

PubMed Central

Chen, Ke-Qin; Zhao, Xian-Yan; An, Xiu-Hong; Tian, Yi; Liu, Dan-Dan; You, Chun-Xiang; Hao, Yu-Jin

2017-01-01

In higher plants, jasmonate ZIM-domain (JAZ) proteins negatively regulate the biosynthesis of anthocyanins by interacting with bHLH transcription factors. However, it is largely unknown if and how other regulators are involved in this process. In this study, the apple MdJAZ2 protein was characterized in regards to its function in the negative regulation of anthocyanin accumulation and peel coloration. MdJAZ2 was used as a bait to screen a cDNA library using the yeast two-hybrid method. The hypersensitive induced reaction (HIR) proteins, MdHIR2 and MdHIR4, were obtained from this yeast two-hybrid. The ZIM domain of MdJAZ2 and the PHB domain of the MdHIR proteins are necessary for their interactions. The interactions were further verified using an in vitro pull-down assay. Subsequently, immunoblotting assays demonstrated that MdHIR4 enhanced the stability of the MdJAZ2-GUS protein. Finally, a viral vector-based transformation method showed that MdHIR4 inhibited anthocyanin accumulation and fruit coloration in apple by modulating the expression of genes associated with anthocyanin biosynthesis. PMID:28317851

Preparing MD-PhD students for clinical rotations: navigating the interface between PhD and MD training.

PubMed

Goldberg, Charles; Insel, Paul A

2013-06-01

Many aspects of MD-PhD training are not optimally designed to prepare students for their future roles as translational clinician-scientists. The transition between PhD research efforts and clinical rotations is one hurdle that must be overcome. MD-PhD students have deficits in clinical skills compared with those of their MD-only colleagues at the time of this transition. Reimmersion programs (RPs) targeted to MD-PhD students have the potential to help them navigate this transition.The authors draw on their experience creating and implementing an RP that incorporates multiple types of activities (clinical exam review, objective structured clinical examination, and supervised practice in patient care settings) designed to enhance the participants' skills and readiness for clinical efforts. On the basis of this experience, they note that MD-PhD students' time away from the clinical environment negatively affects their clinical skills, causing them to feel underprepared for clinical rotations. The authors argue that participation in an RP can help students feel more comfortable speaking with and examining patients and decrease their anxiety regarding clinical encounters. The authors propose that RPs can have positive outcomes for improving the transition from PhD to clinical MD training in dual-degree programs. Identifying and addressing this and other transitions need to be considered to improve the educational experience of MD-PhD students.

Developmental trajectories of adolescent popularity: a growth curve modelling analysis.

PubMed

Cillessen, Antonius H N; Borch, Casey

2006-12-01

Growth curve modelling was used to examine developmental trajectories of sociometric and perceived popularity across eight years in adolescence, and the effects of gender, overt aggression, and relational aggression on these trajectories. Participants were 303 initially popular students (167 girls, 136 boys) for whom sociometric data were available in Grades 5-12. The popularity and aggression constructs were stable but non-overlapping developmental dimensions. Growth curve models were run with SAS MIXED in the framework of the multilevel model for change [Singer, J. D., & Willett, J. B. (2003). Applied longitudinal data analysis. Oxford, UK: Oxford University Press]. Sociometric popularity showed a linear change trajectory; perceived popularity showed nonlinear change. Overt aggression predicted low sociometric popularity but an increase in perceived popularity in the second half of the study. Relational aggression predicted a decrease in sociometric popularity, especially for girls, and continued high-perceived popularity for both genders. The effect of relational aggression on perceived popularity was the strongest around the transition from middle to high school. The importance of growth curve models for understanding adolescent social development was discussed, as well as specific issues and challenges of growth curve analyses with sociometric data.

An Examination of "The Martian" Trajectory

NASA Technical Reports Server (NTRS)

Burke, Laura

2015-01-01

This analysis was performed to support a request to examine the trajectory of the Hermes vehicle in the novel "The Martian" by Andy Weir. Weir developed his own tool to perform the analysis necessary to provide proper trajectory information for the novel. The Hermes vehicle is the interplanetary spacecraft that shuttles the crew to and from Mars. It is notionally a Nuclear powered vehicle utilizing VASIMR engines for propulsion. The intent of this analysis was the determine whether the trajectory as it was outlined in the novel is consistent with the rules of orbital mechanics.

Trajectory Correction and Locomotion Analysis of a Hexapod Walking Robot with Semi-Round Rigid Feet

PubMed Central

Zhu, Yaguang; Jin, Bo; Wu, Yongsheng; Guo, Tong; Zhao, Xiangmo

2016-01-01

Aimed at solving the misplaced body trajectory problem caused by the rolling of semi-round rigid feet when a robot is walking, a legged kinematic trajectory correction methodology based on the Least Squares Support Vector Machine (LS-SVM) is proposed. The concept of ideal foothold is put forward for the three-dimensional kinematic model modification of a robot leg, and the deviation value between the ideal foothold and real foothold is analyzed. The forward/inverse kinematic solutions between the ideal foothold and joint angular vectors are formulated and the problem of direct/inverse kinematic nonlinear mapping is solved by using the LS-SVM. Compared with the previous approximation method, this correction methodology has better accuracy and faster calculation speed with regards to inverse kinematics solutions. Experiments on a leg platform and a hexapod walking robot are conducted with multi-sensors for the analysis of foot tip trajectory, base joint vibration, contact force impact, direction deviation, and power consumption, respectively. The comparative analysis shows that the trajectory correction methodology can effectively correct the joint trajectory, thus eliminating the contact force influence of semi-round rigid feet, significantly improving the locomotion of the walking robot and reducing the total power consumption of the system. PMID:27589766

Registration of cotton germplasm USDA MD 16-1 and USDA MD 16-2 with enhanced lint yield and fiber quality.

USDA-ARS?s Scientific Manuscript database

Upland cotton germplasm USDA MD 16-1 (Reg. No. __ and PI ___ ), and USDA MD 16-2 (Reg. No. ___ and PI___) (Gossypium hirsutum L.), have enhanced yield and good fiber quality. These germplasm lines were developed by the USDA-ARS, Stoneville, MS and released in 2017. Two crosses, MD 25-51 X MD 10-9-1 ...

Database Driven 6-DOF Trajectory Simulation for Debris Transport Analysis

NASA Technical Reports Server (NTRS)

West, Jeff

2008-01-01

Debris mitigation and risk assessment have been carried out by NASA and its contractors supporting Space Shuttle Return-To-Flight (RTF). As a part of this assessment, analysis of transport potential for debris that may be liberated from the vehicle or from pad facilities prior to tower clear (Lift-Off Debris) is being performed by MSFC. This class of debris includes plume driven and wind driven sources for which lift as well as drag are critical for the determination of the debris trajectory. As a result, NASA MSFC has a need for a debris transport or trajectory simulation that supports the computation of lift effect in addition to drag without the computational expense of fully coupled CFD with 6-DOF. A database driven 6-DOF simulation that uses aerodynamic force and moment coefficients for the debris shape that are interpolated from a database has been developed to meet this need. The design, implementation, and verification of the database driven six degree of freedom (6-DOF) simulation addition to the Lift-Off Debris Transport Analysis (LODTA) software are discussed in this paper.

Blast and ballistic trajectories in combat casualties: a preliminary analysis using a cartesian positioning system with MDCT.

PubMed

Folio, Les R; Fischer, Tatjana; Shogan, Paul; Frew, Michael; Dwyer, Andrew; Provenzale, James M

2011-08-01

The purpose of this study is to determine the agreement with which radiologists identify wound paths in vivo on MDCT and calculate missile trajectories on the basis of Cartesian coordinates using a Cartesian positioning system (CPS). Three radiologists retrospectively identified 25 trajectories on MDCT in 19 casualties who sustained penetrating trauma in Iraq. Trajectories were described qualitatively in terms of directional path descriptors and quantitatively as trajectory vectors. Directional descriptors, trajectory angles, and angles between trajectories were calculated based on Cartesian coordinates of entrance and terminus or exit recorded in x, y image and table space (z) using a Trajectory Calculator created using spreadsheet software. The consistency of qualitative descriptor determinations was assessed in terms of frequency of observer agreement and multirater kappa statistics. Consistency of trajectory vectors was evaluated in terms of distribution of magnitude of the angles between vectors and the differences between their paraaxial and parasagittal angles. In 68% of trajectories, the observers' visual assessment of qualitative descriptors was congruent. Calculated descriptors agreed across observers in 60% of the trajectories. Estimated kappa also showed good agreement (0.65-0.79, p < 0.001); 70% of calculated paraaxial and parasagittal angles were within 20° across observers, and 61.3% of angles between trajectory vectors were within 20° across observers. Results show agreement of visually assessed and calculated qualitative descriptors and trajectory angles among observers. The Trajectory Calculator describes trajectories qualitatively similar to radiologists' visual assessment, showing the potential feasibility of automated trajectory analysis.

IRVE-II Post-Flight Trajectory Reconstruction

NASA Technical Reports Server (NTRS)

O'Keefe, Stephen A.; Bose, David M.

2010-01-01

NASA s Inflatable Re-entry Vehicle Experiment (IRVE) II successfully demonstrated an inflatable aerodynamic decelerator after being launched aboard a sounding rocket from Wallops Flight Facility (WFF). Preliminary day of flight data compared well with pre-flight Monte Carlo analysis, and a more complete trajectory reconstruction performed with an Extended Kalman Filter (EKF) approach followed. The reconstructed trajectory and comparisons to an attitude solution provided by NASA Sounding Rocket Operations Contract (NSROC) personnel at WFF are presented. Additional comparisons are made between the reconstructed trajectory and pre and post-flight Monte Carlo trajectory predictions. Alternative observations of the trajectory are summarized which leverage flight accelerometer measurements, the pre-flight aerodynamic database, and on-board flight video. Finally, analysis of the payload separation and aeroshell deployment events are presented. The flight trajectory is reconstructed to fidelity sufficient to assess overall project objectives related to flight dynamics and overall, IRVE-II flight dynamics are in line with expectations

The influence of work-family conflict trajectories on self-rated health trajectories in Switzerland: a life course approach.

PubMed

Cullati, Stéphane

2014-07-01

Self-rated health (SRH) trajectories tend to decline over a lifetime. Moreover, the Cumulative Advantage and Disadvantage (CAD) model indicates that SRH trajectories are known to consistently diverge along socioeconomic positions (SEP) over the life course. However, studies of working adults to consider the influence of work and family conflict (WFC) on SRH trajectories are scarce. We test the CAD model and hypothesise that SRH trajectories diverge over time according to socioeconomic positions and WFC trajectories accentuate this divergence. Using longitudinal data from the Swiss Household Panel (N = 2327 working respondents surveyed from 2004 to 2010), we first examine trajectories of SRH and potential divergence over time across age, gender, SEP and family status using latent growth curve analysis. Second, we assess changes in SRH trajectories in relation to changes in WFC trajectories and divergence in SRH trajectories according to gender, SEP and family status using parallel latent growth curve analysis. Three measures of WFC are used: exhaustion after work, difficulty disconnecting from work, and work interference in private family obligations. The results show that SRH trajectories slowly decline over time and that the rate of change is not influenced by age, gender or SEP, a result which does not support the CAD model. SRH trajectories are significantly correlated with exhaustion after work trajectories but not the other two WFC measures. When exhaustion after work trajectories are taken into account, SRH trajectories of higher educated people decline slower compared to less educated people, supporting the CAD hypothesis. Copyright © 2014 Elsevier Ltd. All rights reserved.

Two-Year Trajectory of Fall Risk in People With Parkinson Disease: A Latent Class Analysis.

PubMed

Paul, Serene S; Thackeray, Anne; Duncan, Ryan P; Cavanaugh, James T; Ellis, Theresa D; Earhart, Gammon M; Ford, Matthew P; Foreman, K Bo; Dibble, Leland E

2016-03-01

To examine fall risk trajectories occurring naturally in a sample of individuals with early to middle stage Parkinson disease (PD). Latent class analysis, specifically growth mixture modeling (GMM), of longitudinal fall risk trajectories. Assessments were conducted at 1 of 4 universities. Community-dwelling participants with PD of a longitudinal cohort study who attended at least 2 of 5 assessments over a 2-year follow-up period (N=230). Not applicable. Fall risk trajectory (low, medium, or high risk) and stability of fall risk trajectory (stable or fluctuating). Fall risk was determined at 6 monthly intervals using a simple clinical tool based on fall history, freezing of gait, and gait speed. The GMM optimally grouped participants into 3 fall risk trajectories that closely mirrored baseline fall risk status (P=.001). The high fall risk trajectory was most common (42.6%) and included participants with longer and more severe disease and with higher postural instability and gait disability (PIGD) scores than the low and medium fall risk trajectories (P<.001). Fluctuating fall risk (posterior probability <0.8 of belonging to any trajectory) was found in only 22.6% of the sample, most commonly among individuals who were transitioning to PIGD predominance. Regardless of their baseline characteristics, most participants had clear and stable fall risk trajectories over 2 years. Further investigation is required to determine whether interventions to improve gait and balance may improve fall risk trajectories in people with PD. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

A novel triazine ring compound (MD568) exerts in vivo and in vitro effects on lipid metabolism.

PubMed

Jia, Dan; Li, Ziwen; Gao, Ying; Feng, Yifan; Li, Weimin

2018-07-01

In this study, we investigated the toxicity and biological activity of a novel triazine ring compound named magnolol derivative 568 (MD568). The LD 50 of MD568 was determined in Sprague-Dawley (SD) rats by intraperitoneal injection. Treatment of high fat diet-induced obese rats with MD568 demonstrated that MD568 displayed significant anti-obesity effects. MD568 markedly reduced body weight, blood lipid contents, white adipose tissue (WAT) and liver mass in obese rats. In addition, MD568 modulated lesions in WAT through regulating PPAR-Ɣ, C/EBP-a, SREBP-1c and FABP-4 proteins in the liver through regulating PPAR-α, SREBP-1c and FABP-4. We also evaluated the effects of MD568 on the proliferation and differentiation of 3T3-L1 pre-adipocytes and investigated the underlying mechanism by microarray analysis. Results showed that MD568 has good inhibitory activity on lipogenesis and lipid accumulation in 3T3-L1 pre-adipocytes. The protein expression levels of the adipogenic transcription factors PPAR-Ɣ, C/EBP-a, SREBP-1c and FABP-4 were reduced by MD568. In addition, the gene expression of FAS and LDL was also significantly down-regulated by MD568. Microarray data enrichment analysis demonstrated that the underlying mechanism of action of MD568 may be related to its regulatory effects on genes associated with the biological processes or pathways in lipid metabolism. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

33 CFR 334.180 - Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

.... Naval Mine Warfare Test Station, or of U.S. Naval Air Station property. A person in the water or a... areas, U.S. Naval Air Test Center, Patuxent River, Md. 334.180 Section 334.180 Navigation and Navigable... REGULATIONS § 334.180 Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md...

33 CFR 334.180 - Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

.... Naval Mine Warfare Test Station, or of U.S. Naval Air Station property. A person in the water or a... areas, U.S. Naval Air Test Center, Patuxent River, Md. 334.180 Section 334.180 Navigation and Navigable... REGULATIONS § 334.180 Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md...

33 CFR 334.180 - Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md.

Code of Federal Regulations, 2012 CFR

2012-07-01

.... Naval Mine Warfare Test Station, or of U.S. Naval Air Station property. A person in the water or a... areas, U.S. Naval Air Test Center, Patuxent River, Md. 334.180 Section 334.180 Navigation and Navigable... REGULATIONS § 334.180 Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md...

33 CFR 334.180 - Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md.

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Naval Mine Warfare Test Station, or of U.S. Naval Air Station property. A person in the water or a... areas, U.S. Naval Air Test Center, Patuxent River, Md. 334.180 Section 334.180 Navigation and Navigable... REGULATIONS § 334.180 Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md...

33 CFR 334.180 - Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md.

Code of Federal Regulations, 2010 CFR

2010-07-01

.... Naval Mine Warfare Test Station, or of U.S. Naval Air Station property. A person in the water or a... areas, U.S. Naval Air Test Center, Patuxent River, Md. 334.180 Section 334.180 Navigation and Navigable... REGULATIONS § 334.180 Patuxent River, Md.; restricted areas, U.S. Naval Air Test Center, Patuxent River, Md...

UAV-based mapping, back analysis and trajectory modeling of a coseismic rockfall in Lefkada island, Greece

NASA Astrophysics Data System (ADS)

Saroglou, Charalampos; Asteriou, Pavlos; Zekkos, Dimitrios; Tsiambaos, George; Clark, Marin; Manousakis, John

2018-01-01

We present field evidence and a kinematic study of a rock block mobilized in the Ponti area by a Mw = 6.5 earthquake near the island of Lefkada on 17 November 2015. A detailed survey was conducted using an unmanned aerial vehicle (UAV) with an ultrahigh definition (UHD) camera, which produced a high-resolution orthophoto and a digital terrain model (DTM). The sequence of impact marks from the rock trajectory on the ground surface was identified from the orthophoto and field verified. Earthquake characteristics were used to estimate the acceleration of the rock slope and the initial condition of the detached block. Using the impact points from the measured rockfall trajectory, an analytical reconstruction of the trajectory was undertaken, which led to insights on the coefficients of restitution (CORs). The measured trajectory was compared with modeled rockfall trajectories using recommended parameters. However, the actual trajectory could not be accurately predicted, revealing limitations of existing rockfall analysis software used in engineering practice.

Non-monotonic dynamics of water in its binary mixture with 1,2-dimethoxy ethane: A combined THz spectroscopic and MD simulation study.

PubMed

Das Mahanta, Debasish; Patra, Animesh; Samanta, Nirnay; Luong, Trung Quan; Mukherjee, Biswaroop; Mitra, Rajib Kumar

2016-10-28

A combined experimental (mid- and far-infrared FTIR spectroscopy and THz time domain spectroscopy (TTDS) (0.3-1.6 THz)) and molecular dynamics (MD) simulation technique are used to understand the evolution of the structure and dynamics of water in its binary mixture with 1,2-dimethoxy ethane (DME) over the entire concentration range. The cooperative hydrogen bond dynamics of water obtained from Debye relaxation of TTDS data reveals a non-monotonous behaviour in which the collective dynamics is much faster in the low X w region (where X w is the mole fraction of water in the mixture), whereas in X w ∼ 0.8 region, the dynamics gets slower than that of pure water. The concentration dependence of the reorientation times of water, calculated from the MD simulations, also captures this non-monotonous character. The MD simulation trajectories reveal presence of large amplitude angular jumps, which dominate the orientational relaxation. We rationalize the non-monotonous, concentration dependent orientational dynamics by identifying two different physical mechanisms which operate at high and low water concentration regimes.

Mathematical difficulties as decoupling of expectation and developmental trajectories

PubMed Central

McLean, Janet F.; Rusconi, Elena

2014-01-01

Recent years have seen an increase in research articles and reviews exploring mathematical difficulties (MD). Many of these articles have set out to explain the etiology of the problems, the possibility of different subtypes, and potential brain regions that underlie many of the observable behaviors. These articles are very valuable in a research field, which many have noted, falls behind that of reading and language disabilities. Here will provide a perspective on the current understanding of MD from a different angle, by outlining the school curriculum of England and the US and connecting these to the skills needed at different stages of mathematical understanding. We will extend this to explore the cognitive skills which most likely underpin these different stages and whose impairment may thus lead to mathematics difficulties at all stages of mathematics development. To conclude we will briefly explore interventions that are currently available, indicating whether these can be used to aid the different children at different stages of their mathematical development and what their current limitations may be. The principal aim of this review is to establish an explicit connection between the academic discourse, with its research base and concepts, and the developmental trajectory of abstract mathematical skills that is expected (and somewhat dictated) in formal education. This will possibly help to highlight and make sense of the gap between the complexity of the MD range in real life and the state of its academic science. PMID:24567712

Registration of cotton germplasm line md 10-5

USDA-ARS?s Scientific Manuscript database

MD 10-5 (Reg. No. ______, PI 675077) is a noncommercial breeding line of cotton (Gossypium hirsutum L.) released by the USDA-ARS at Stoneville, MS in 2015. MD 10-5 was selected in F4 progenies from a cross between MD 15 (PI 642769) and JJ 1145ne. MD 10-5 has a desirable combination between lint yi...

Error assessment in molecular dynamics trajectories using computed NMR chemical shifts.

PubMed

Koes, David R; Vries, John K

2017-01-01

Accurate chemical shifts for the atoms in molecular mechanics (MD) trajectories can be obtained from quantum mechanical (QM) calculations that depend solely on the coordinates of the atoms in the localized regions surrounding atoms of interest. If these coordinates are correct and the sample size is adequate, the ensemble average of these chemical shifts should be equal to the chemical shifts obtained from NMR spectroscopy. If this is not the case, the coordinates must be incorrect. We have utilized this fact to quantify the errors associated with the backbone atoms in MD simulations of proteins. A library of regional conformers containing 169,499 members was constructed from 6 model proteins. The chemical shifts associated with the backbone atoms in each of these conformers was obtained from QM calculations using density functional theory at the B3LYP level with a 6-311+G(2d,p) basis set. Chemical shifts were assigned to each backbone atom in each MD simulation frame using a template matching approach. The ensemble average of these chemical shifts was compared to chemical shifts from NMR spectroscopy. A large systematic error was identified that affected the 1 H atoms of the peptide bonds involved in hydrogen bonding with water molecules or peptide backbone atoms. This error was highly sensitive to changes in electrostatic parameters. Smaller errors affecting the 13 C a and 15 N atoms were also detected. We believe these errors could be useful as metrics for comparing the force-fields and parameter sets used in MD simulation because they are directly tied to errors in atomic coordinates.

Principal component and normal mode analysis of proteins; a quantitative comparison using the GroEL subunit.

PubMed

Skjaerven, Lars; Martinez, Aurora; Reuter, Nathalie

2011-01-01

Principal component analysis (PCA) and normal mode analysis (NMA) have emerged as two invaluable tools for studying conformational changes in proteins. To compare these approaches for studying protein dynamics, we have used a subunit of the GroEL chaperone, whose dynamics is well characterized. We first show that both PCA on trajectories from molecular dynamics (MD) simulations and NMA reveal a general dynamical behavior in agreement with what has previously been described for GroEL. We thus compare the reproducibility of PCA on independent MD runs and subsequently investigate the influence of the length of the MD simulations. We show that there is a relatively poor one-to-one correspondence between eigenvectors obtained from two independent runs and conclude that caution should be taken when analyzing principal components individually. We also observe that increasing the simulation length does not improve the agreement with the experimental structural difference. In fact, relatively short MD simulations are sufficient for this purpose. We observe a rapid convergence of the eigenvectors (after ca. 6 ns). Although there is not always a clear one-to-one correspondence, there is a qualitatively good agreement between the movements described by the first five modes obtained with the three different approaches; PCA, all-atoms NMA, and coarse-grained NMA. It is particularly interesting to relate this to the computational cost of the three methods. The results we obtain on the GroEL subunit contribute to the generalization of robust and reproducible strategies for the study of protein dynamics, using either NMA or PCA of trajectories from MD simulations. © 2010 Wiley-Liss, Inc.

Two-year trajectory of fall risk in people with Parkinson’s disease: a latent class analysis

PubMed Central

Paul, Serene S; Thackeray, Anne; Duncan, Ryan P; Cavanaugh, James T; Ellis, Theresa D; Earhart, Gammon M; Ford, Matthew P; Foreman, K Bo; Dibble, Leland E

2015-01-01

Objective To examine fall risk trajectories occurring naturally in a sample of individuals with early to middle stage Parkinson’s disease (PD). Design Latent class analysis, specifically growth mixture modeling (GMM) of longitudinal fall risk trajectories. Setting Not applicable. Participants 230 community-dwelling PD participants of a longitudinal cohort study who attended at least two of five assessments over a two year period. Interventions Not applicable. Main Outcome Measures Fall risk trajectory (low, medium or high risk) and stability of fall risk trajectory (stable or fluctuating). Fall risk was determined at 6-monthly intervals using a simple clinical tool based on fall history, freezing of gait, and gait speed. Results The GMM optimally grouped participants into three fall risk trajectories that closely mirrored baseline fall risk status (p=.001). The high fall risk trajectory was most common (42.6%) and included participants with longer and more severe disease and with higher postural instability and gait disability (PIGD) scores than the low and medium risk trajectories (p<.001). Fluctuating fall risk (posterior probability <0.8 of belonging to any trajectory) was found in only 22.6% of the sample, most commonly among individuals who were transitioning to PIGD predominance. Conclusions Regardless of their baseline characteristics, most participants had clear and stable fall risk trajectories over two years. Further investigation is required to determine whether interventions to improve gait and balance may improve fall risk trajectories in people with PD. PMID:26606871

Center of excellence for mobile sensor data-to-knowledge (MD2K).

PubMed

Kumar, Santosh; Abowd, Gregory D; Abraham, William T; al'Absi, Mustafa; Beck, J Gayle; Chau, Duen Horng; Condie, Tyson; Conroy, David E; Ertin, Emre; Estrin, Deborah; Ganesan, Deepak; Lam, Cho; Marlin, Benjamin; Marsh, Clay B; Murphy, Susan A; Nahum-Shani, Inbal; Patrick, Kevin; Rehg, James M; Sharmin, Moushumi; Shetty, Vivek; Sim, Ida; Spring, Bonnie; Srivastava, Mani; Wetter, David W

2015-11-01

Mobile sensor data-to-knowledge (MD2K) was chosen as one of 11 Big Data Centers of Excellence by the National Institutes of Health, as part of its Big Data-to-Knowledge initiative. MD2K is developing innovative tools to streamline the collection, integration, management, visualization, analysis, and interpretation of health data generated by mobile and wearable sensors. The goal of the big data solutions being developed by MD2K is to reliably quantify physical, biological, behavioral, social, and environmental factors that contribute to health and disease risk. The research conducted by MD2K is targeted at improving health through early detection of adverse health events and by facilitating prevention. MD2K will make its tools, software, and training materials widely available and will also organize workshops and seminars to encourage their use by researchers and clinicians. © The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

A pilot study of MD (psychiatry) theses-based research.

PubMed

Srivastava, Shrikant; Agarwal, Vivek; Subramanyam, Alka; Srivastava, Mona; Sathyanarayana Rao, T S; Rao, G Prasad; Khurana, Hitesh; Singh, Archana

2018-01-01

Undertaking a research project is mandatory for MD Psychiatry trainees. The present study was undertaken to assess the type of research activity being undertaken as part of MD Psychiatry dissertation, and its contribution to national and international literature. Three medical colleges supplied the data about the topic, names of the supervisor and the candidate, collaboration, funding accrued, and publication details of MD-based research carried out between years 2000 and 2010 inclusive; 95 records were collected for the final analysis. The details of the publications provided were cross-checked on the internet, which would have taken care of missed publications as well. Most studies were single-point assessment clinical studies. Only 2 studies had been funded, 11 had collaboration with other departments within the same institute, and 5 had inter-institute collaborations. Majority of the studies were not published. Only 30 were published as full paper and 9 as abstracts. Of these 30 full publications, only 3 were published in journals having JCI impact factor values (1.4, 1.3, and 1.4, respectively). The main finding of this pilot study was that MD-based research has low contribution to the national and international literature, and those articles which are published are in low impact journals. Suggestions for modifying this state of affairs are discussed.

Analysis of the contribution of experimental bias, experimental noise, and inter-subject biological variability on the assessment of developmental trajectories in diffusion MRI studies of the brain.

PubMed

Sadeghi, Neda; Nayak, Amritha; Walker, Lindsay; Okan Irfanoglu, M; Albert, Paul S; Pierpaoli, Carlo

2015-04-01

Metrics derived from the diffusion tensor, such as fractional anisotropy (FA) and mean diffusivity (MD) have been used in many studies of postnatal brain development. A common finding of previous studies is that these tensor-derived measures vary widely even in healthy populations. This variability can be due to inherent inter-individual biological differences as well as experimental noise. Moreover, when comparing different studies, additional variability can be introduced by different acquisition protocols. In this study we examined scans of 61 individuals (aged 4-22 years) from the NIH MRI study of normal brain development. Two scans were collected with different protocols (low and high resolution). Our goal was to separate the contributions of biological variability and experimental noise to the overall measured variance, as well as to assess potential systematic effects related to the use of different protocols. We analyzed FA and MD in seventeen regions of interest. We found that biological variability for both FA and MD varies widely across brain regions; biological variability is highest for FA in the lateral part of the splenium and body of the corpus callosum along with the cingulum and the superior longitudinal fasciculus, and for MD in the optic radiations and the lateral part of the splenium. These regions with high inter-individual biological variability are the most likely candidates for assessing genetic and environmental effects in the developing brain. With respect to protocol-related effects, the lower resolution acquisition resulted in higher MD and lower FA values for the majority of regions compared with the higher resolution protocol. However, the majority of the regions did not show any age-protocol interaction, indicating similar trajectories were obtained irrespective of the protocol used. Published by Elsevier Inc.

Orbiter/carrier separation for the ALT free flight no. 1 reference trajectories. Mission planning, mission analysis and software formulation

NASA Technical Reports Server (NTRS)

Glenn, G. M.

1976-01-01

Details of the generation of the separation trajectories are discussed. The analysis culminated in definition of separation trajectories between physical separation and orbiter/carrier vortex clearance. Specifications, assumptions and analytical approach used to generate the separation trajectories are presented. Results of the analytical approach are evaluated. Conclusions and recommendations are summarized. Supporting references are listed.

Rhodotorula taiwanensis MD1149 produces hypoacetylated PEFA compounds with increased surface activity compared to Rhodotorula babjevae MD1169

PubMed Central

Rubinfeld, Bonnee; Leif, Roald; Mulcahy, Heather; Dugan, Lawrence; Souza, Brian

2018-01-01

Biosurfactants have several desirable characteristics in the industrial sector: detergency, antimicrobial effects, skin hydration, and emulsibility. Several yeast glycolipids are currently being utilized in these capacities: sophorolipids, ustilagic acid, and mannosylerythritol lipids (MELs). An emerging class of glycolipids, termed polyol esters of fatty acids (PEFA), have recently been reported for Rhodotorula babjevae, a basidiomycetous yeast species that secretes hyperacetylated congeners of PEFA (typically with 3–6 acetylation modifications). While screening Rhodotorula species for surfactant production, we identified a new environmental isolate identified as Rhodotorula taiwanensis MD1149 that dropped the surface tension of the liquid medium, indicating that it produced a potent biosurfactant. Acid depolymerization of the purified biosurfactants, followed by gas chromatography-mass spectrometry (GC-MS) analysis revealed that the biosurfactants were composed of PEFA compounds composed mainly of mannitol and arabitol esters of 3-hydroxy fatty acid, 3-methoxy fatty acid, and fatty acids with a single double bond; chain lengths were mainly C16 and C18. Liquid chromatography-mass spectrometry (LC-MS) confirmed the predicted accurate mass of these compounds. Interestingly, PEFA compounds produced by Rhodotorula taiwanensis MD1149 were more surface active due to their hypoacetylation profile (0–4 acetylation modifications) compared to Rhodotorula babjevae MD1169. These disparate surface active properties, based on acetylation, change the hydrophilic-lipophilic balance (HLB) of these compounds, and their potential utility within industrial applications. PMID:29293588

Rhodotorula taiwanensis MD1149 produces hypoacetylated PEFA compounds with increased surface activity compared to Rhodotorula babjevae MD1169.

PubMed

Lyman, Mathew; Rubinfeld, Bonnee; Leif, Roald; Mulcahy, Heather; Dugan, Lawrence; Souza, Brian

2018-01-01

Biosurfactants have several desirable characteristics in the industrial sector: detergency, antimicrobial effects, skin hydration, and emulsibility. Several yeast glycolipids are currently being utilized in these capacities: sophorolipids, ustilagic acid, and mannosylerythritol lipids (MELs). An emerging class of glycolipids, termed polyol esters of fatty acids (PEFA), have recently been reported for Rhodotorula babjevae, a basidiomycetous yeast species that secretes hyperacetylated congeners of PEFA (typically with 3-6 acetylation modifications). While screening Rhodotorula species for surfactant production, we identified a new environmental isolate identified as Rhodotorula taiwanensis MD1149 that dropped the surface tension of the liquid medium, indicating that it produced a potent biosurfactant. Acid depolymerization of the purified biosurfactants, followed by gas chromatography-mass spectrometry (GC-MS) analysis revealed that the biosurfactants were composed of PEFA compounds composed mainly of mannitol and arabitol esters of 3-hydroxy fatty acid, 3-methoxy fatty acid, and fatty acids with a single double bond; chain lengths were mainly C16 and C18. Liquid chromatography-mass spectrometry (LC-MS) confirmed the predicted accurate mass of these compounds. Interestingly, PEFA compounds produced by Rhodotorula taiwanensis MD1149 were more surface active due to their hypoacetylation profile (0-4 acetylation modifications) compared to Rhodotorula babjevae MD1169. These disparate surface active properties, based on acetylation, change the hydrophilic-lipophilic balance (HLB) of these compounds, and their potential utility within industrial applications.

Monte Carlo Analysis as a Trajectory Design Driver for the Transiting Exoplanet Survey Satellite (TESS) Mission

NASA Technical Reports Server (NTRS)

Nickel, Craig; Parker, Joel; Dichmann, Don; Lebois, Ryan; Lutz, Stephen

2016-01-01

The Transiting Exoplanet Survey Satellite (TESS) will be injected into a highly eccentric Earth orbit and fly 3.5 phasing loops followed by a lunar flyby to enter a mission orbit with lunar 2:1 resonance. Through the phasing loops and mission orbit, the trajectory is significantly affected by lunar and solar gravity. We have developed a trajectory design to achieve the mission orbit and meet mission constraints, including eclipse avoidance and a 30-year geostationary orbit avoidance requirement. A parallelized Monte Carlo simulation was performed to validate the trajectory after injecting common perturbations, including launch dispersions, orbit determination errors, and maneuver execution errors. The Monte Carlo analysis helped identify mission risks and is used in the trajectory selection process.

Twelve-month trajectories of depressive and anxiety symptoms and associations with traumatic exposure and ongoing adversities: a latent trajectory analysis of a community cohort exposed to severe conflict in Sri Lanka

PubMed Central

Tay, A K; Jayasuriya, R; Jayasuriya, D; Silove, D

2017-01-01

We conducted a 12-month follow-up of a population sample of adults from districts (Mannar, Killinochi, Mullaitivu and Jaffna) exposed to high levels of mass conflict in Sri Lanka, the aim of the present analysis being to identify trajectories of depression and anxiety symptoms and their associations with exposure to psychological trauma and ongoing living adversities. The cohort of 1275 adults (response 86%) followed-up in 2015 was a structured subsample drawn from the baseline nationally representative survey conducted in 2014 across 25 districts in Sri Lanka. Interviews were conducted using electronic tablets by field workers applying contextually adapted indices of trauma exposure, ongoing adversities and symptoms of depression and anxiety. Latent transition analysis revealed a three-class longitudinal model from which four composite trajectories were derived, comprising a persistent symptom trajectory (n=555, 43.5%), an incident or new onset trajectory (n=170, 13.3%), a recovery trajectory (n=299, 23.5%) and a persistently low-symptom trajectory (n=251, 19.7%). Factors associated with both the persistent symptom and incident trajectories were female gender, past trauma exposure and lack of access to health services. Loss of a job was uniquely associated with the persisting trajectory at follow-up. The recovery trajectory comprised a higher proportion of men, older persons and those without risk factors. Our findings assist in translating epidemiologic data into public policy and practice by indicating the importance of stable employment and the provision of healthcare as key factors that may act to reduce anxiety and depressive symptoms in the post-conflict phase. The findings also confirm that women are at high risk of mental distress. Brief screening for trauma exposure in populations with high levels of exposure to mass conflict may assist in defining those at risk of ongoing symptoms of anxiety and depression. PMID:28786977

Singular perturbation analysis of AOTV-related trajectory optimization problems

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Bae, Gyoung H.

1990-01-01

The problem of real time guidance and optimal control of Aeroassisted Orbit Transfer Vehicles (AOTV's) was addressed using singular perturbation theory as an underlying method of analysis. Trajectories were optimized with the objective of minimum energy expenditure in the atmospheric phase of the maneuver. Two major problem areas were addressed: optimal reentry, and synergetic plane change with aeroglide. For the reentry problem, several reduced order models were analyzed with the objective of optimal changes in heading with minimum energy loss. It was demonstrated that a further model order reduction to a single state model is possible through the application of singular perturbation theory. The optimal solution for the reduced problem defines an optimal altitude profile dependent on the current energy level of the vehicle. A separate boundary layer analysis is used to account for altitude and flight path angle dynamics, and to obtain lift and bank angle control solutions. By considering alternative approximations to solve the boundary layer problem, three guidance laws were derived, each having an analytic feedback form. The guidance laws were evaluated using a Maneuvering Reentry Research Vehicle model and all three laws were found to be near optimal. For the problem of synergetic plane change with aeroglide, a difficult terminal boundary layer control problem arises which to date is found to be analytically intractable. Thus a predictive/corrective solution was developed to satisfy the terminal constraints on altitude and flight path angle. A composite guidance solution was obtained by combining the optimal reentry solution with the predictive/corrective guidance method. Numerical comparisons with the corresponding optimal trajectory solutions show that the resulting performance is very close to optimal. An attempt was made to obtain numerically optimized trajectories for the case where heating rate is constrained. A first order state variable inequality

Detecting coupled collective motions in protein by independent subspace analysis

NASA Astrophysics Data System (ADS)

Sakuraba, Shun; Joti, Yasumasa; Kitao, Akio

2010-11-01

Protein dynamics evolves in a high-dimensional space, comprising aharmonic, strongly correlated motional modes. Such correlation often plays an important role in analyzing protein function. In order to identify significantly correlated collective motions, here we employ independent subspace analysis based on the subspace joint approximate diagonalization of eigenmatrices algorithm for the analysis of molecular dynamics (MD) simulation trajectories. From the 100 ns MD simulation of T4 lysozyme, we extract several independent subspaces in each of which collective modes are significantly correlated, and identify the other modes as independent. This method successfully detects the modes along which long-tailed non-Gaussian probability distributions are obtained. Based on the time cross-correlation analysis, we identified a series of events among domain motions and more localized motions in the protein, indicating the connection between the functionally relevant phenomena which have been independently revealed by experiments.

Rapid Design of Gravity Assist Trajectories

NASA Technical Reports Server (NTRS)

Carrico, J.; Hooper, H. L.; Roszman, L.; Gramling, C.

1991-01-01

Several International Solar Terrestrial Physics (ISTP) missions require the design of complex gravity assisted trajectories in order to investigate the interaction of the solar wind with the Earth's magnetic field. These trajectories present a formidable trajectory design and optimization problem. The philosophy and methodology that enable an analyst to design and analyse such trajectories are discussed. The so called 'floating end point' targeting, which allows the inherently nonlinear multiple body problem to be solved with simple linear techniques, is described. The combination of floating end point targeting with analytic approximations with a Newton method targeter to achieve trajectory design goals quickly, even for the very sensitive double lunar swingby trajectories used by the ISTP missions, is demonstrated. A multiconic orbit integration scheme allows fast and accurate orbit propagation. A prototype software tool, Swingby, built for trajectory design and launch window analysis, is described.

Identification of the protein folding transition state from molecular dynamics trajectories

NASA Astrophysics Data System (ADS)

Muff, S.; Caflisch, A.

2009-03-01

The rate of protein folding is governed by the transition state so that a detailed characterization of its structure is essential for understanding the folding process. In vitro experiments have provided a coarse-grained description of the folding transition state ensemble (TSE) of small proteins. Atomistic details could be obtained by molecular dynamics (MD) simulations but it is not straightforward to extract the TSE directly from the MD trajectories, even for small peptides. Here, the structures in the TSE are isolated by the cut-based free-energy profile (cFEP) using the network whose nodes and links are configurations sampled by MD and direct transitions among them, respectively. The cFEP is a barrier-preserving projection that does not require arbitrarily chosen progress variables. First, a simple two-dimensional free-energy surface is used to illustrate the successful determination of the TSE by the cFEP approach and to explain the difficulty in defining boundary conditions of the Markov state model for an entropically stabilized free-energy minimum. The cFEP is then used to extract the TSE of a β-sheet peptide with a complex free-energy surface containing multiple basins and an entropic region. In contrast, Markov state models with boundary conditions defined by projected variables and conventional histogram-based free-energy profiles are not able to identify the TSE of the β-sheet peptide.

Analysis of several Boolean operation based trajectory generation strategies for automotive spray applications

NASA Astrophysics Data System (ADS)

Gao, Guoyou; Jiang, Chunsheng; Chen, Tao; Hui, Chun

2018-05-01

Industrial robots are widely used in various processes of surface manufacturing, such as thermal spraying. The established robot programming methods are highly time-consuming and not accurate enough to fulfil the demands of the actual market. There are many off-line programming methods developed to reduce the robot programming effort. This work introduces the principle of several based robot trajectory generation strategy on planar surface and curved surface. Since the off-line programming software is widely used and thus facilitates the robot programming efforts and improves the accuracy of robot trajectory, the analysis of this work is based on the second development of off-line programming software Robot studio™. To meet the requirements of automotive paint industry, this kind of software extension helps provide special functions according to the users defined operation parameters. The presented planning strategy generates the robot trajectory by moving an orthogonal surface according to the information of coating surface, a series of intersection curves are then employed to generate the trajectory points. The simulation results show that the path curve created with this method is successive and smooth, which corresponds to the requirements of automotive spray industrial applications.

Evaluating management risks using landscape trajectory analysis: a case study of California fisher

Treesearch

Craig M. Thompson; William J. Zielinski; Kathryn L. Purcell

2011-01-01

Ecosystem management requires an understanding of how landscapes vary in space and time, how this variation can be affected by management decisions or stochastic events, and the potential consequences for species. Landscape trajectory analysis, coupled with a basic knowledge of species habitat selection, offers a straightforward approach to ecological risk analysis and...

Multivariate landscape trajectory analysis: An example using simulation modeling of American marten habitat change under four timber harvest scenarios

Treesearch

Samuel A. Cushman; Kevin McGarigal

2007-01-01

Integrating temporal variabilily into spatial analyses is one of the abiding challenges in landscape ecology. In this chapter we use landscape trajectory analysis to assess changes in landscape patterns over time. Landscape trajectory analysis is an approach to quantify changes in landscape structure over time. There are three key concepts which underlie the...

Study of talcum charging status in parallel plate electrostatic separator based on particle trajectory analysis

NASA Astrophysics Data System (ADS)

Yunxiao, CAO; Zhiqiang, WANG; Jinjun, WANG; Guofeng, LI

2018-05-01

Electrostatic separation has been extensively used in mineral processing, and has the potential to separate gangue minerals from raw talcum ore. As for electrostatic separation, the particle charging status is one of important influence factors. To describe the talcum particle charging status in a parallel plate electrostatic separator accurately, this paper proposes a modern images processing method. Based on the actual trajectories obtained from sequence images of particle movement and the analysis of physical forces applied on a charged particle, a numerical model is built, which could calculate the charge-to-mass ratios represented as the charging status of particle and simulate the particle trajectories. The simulated trajectories agree well with the experimental results obtained by images processing. In addition, chemical composition analysis is employed to reveal the relationship between ferrum gangue mineral content and charge-to-mass ratios. Research results show that the proposed method is effective for describing the particle charging status in electrostatic separation.

Symptom Trajectories in Children Receiving Treatment for Leukemia: A Latent Class Growth Analysis With Multitrajectory Modeling.

PubMed

Hockenberry, Marilyn J; Hooke, Mary C; Rodgers, Cheryl; Taylor, Olga; Koerner, Kari M; Mitby, Pauline; Moore, Ida; Scheurer, Michael E; Pan, Wei

2017-07-01

Cancer treatment symptoms play a major role in determining the health of children with cancer. Symptom toxicity often results in complications, treatment delays, and therapy dose reductions that can compromise leukemia therapy and jeopardize chances for long-term survival. Critical to understanding symptom experiences during treatment is the need for exploration of "why" inter-individual symptom differences occur; this will determine who may be most susceptible to treatment toxicities. This study examined specific symptom trajectories during the first 18 months of childhood leukemia treatment. Symptom measures included fatigue, sleep disturbances, pain, nausea, and depression. Symptom trajectories of 236 children with leukemia three to 18 years old were explored prospectively over four periods: initiation of post-induction therapy, four and eight post-induction therapy, and the last time point was at the beginning of maintenance/continuation therapy. Latent class growth analysis was used to classify patients into distinctive groups with similar symptom trajectories based on patients' response patterns on the symptom measures over time. Three latent classes of symptom trajectories were identified and classified into mild, moderate, and severe symptom trajectories. The only demographic characteristic with a significant relationship to membership in the latent class symptom trajectories was race/ethnicity. All other demographic characteristics including leukemia risk levels showed no significant relationships. This study is unique in that groups of patients with similar symptoms were identified rather than groups of symptoms. Further research using latent class growth analysis is needed. Copyright © 2017 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.

Variation in Trajectories of Women's Marital Quality

PubMed Central

James, Spencer L.

2014-01-01

I examine variation in trajectories of women's marital quality across the life course. The analysis improves upon earlier research in three ways: (1) the analysis uses a sequential cohort design and data from the first 35 years of marriage; (2) I analyze rich data from a national sample; (3) I examine multiple dimensions of marital quality. Latent class growth analyses estimated on data from women in the National Longitudinal Survey of Youth-1979 (N = 2604) suggest multiple trajectories for each of three dimensions of marital quality, including two trajectories of marital happiness, two trajectories of marital communication, and three trajectories of marital conflict. Socioeconomic and demographic covariates are then used to illustrate how factors such as income, cohabitation, and race-ethnicity set individuals at risk of poor marital quality throughout the life course by differentiating between high and low trajectories of marital quality. Women on low marital quality trajectories are, as expected, at much greater risk of divorce. Taken together, these findings show how fundamental socioeconomic and demographic characteristics contribute to subsequent marital outcomes via their influence on trajectories of marital quality as well as providing a better picture of the complexity in contemporary patterns of marital quality. PMID:25432600

Family income trajectory during childhood is associated with adiposity in adolescence: a latent class growth analysis.

PubMed

Kendzor, Darla E; Caughy, Margaret O; Owen, Margaret Tresch

2012-08-05

Childhood socioeconomic disadvantage has been linked with obesity in cross-sectional research, although less is known about how changes in socioeconomic status influence the development of obesity. Researchers have hypothesized that upward socioeconomic mobility may attenuate the health effects of earlier socioeconomic disadvantage; while downward socioeconomic mobility might have a negative influence on health despite relative socioeconomic advantages at earlier stages. The purpose of the current study was to characterize trajectories of family income during childhood, and to evaluate the influence of these trajectories on adiposity at age 15. Data were collected as part of the Study of Early Child Care and Youth Development (SECCYD) between 1991 and 2007 at 10 sites across the United States. A latent class growth analysis (LCGA) was conducted to identify trajectories of family income from birth to 15 years of age. Analyses of covariance (ANCOVAs) were conducted to determine whether measures of adiposity differed by trajectory, while controlling for relevant covariates. The LCGA supported a 5-class trajectory model, which included two stable, one downward, and two upward trajectories. ANCOVAs indicated that BMI percentile, waist circumference, and skinfold thicknesses at age 15 differed significantly by trajectory, such that those who experienced downward mobility or stable low income had greater adiposity relative to the more advantaged trajectories. Conversely, upwardly mobile children and those with consistently adequate incomes had similar and more positive outcomes relative to the most disadvantaged trajectories. Findings suggest that promoting upward socioeconomic mobility among disadvantaged families may have a positive impact on obesity-related outcomes in adolescence.

Cross-sectional-derived determinants of satisfaction with physician-scientist training among Canadian MD/PhD graduates.

PubMed

Twa, David D W; Skinnider, Michael A; Squair, Jordan W; Lukac, Christine D

2017-01-01

Although MD/PhD programs require considerable commitment on behalf of students and learning institutions, they serve as an integral means of training future physician-scientists; individuals who engage in translational medicine. As attrition from these programs has longstanding effects on the community of translational medicine and comes at substantial cost to MD/PhD programs, we aimed to identify determinants that were associated with satisfaction among MD/PhD graduates, a feature that might inform on limiting program attrition. Anonymized data from a national survey of 139 Canadian MD/PhD alumni was analyzed. Factor analysis was conducted to evaluate the reliability of three questions that measured satisfaction and logistic regression was used to assess the association of outcomes with 17 independent determinants. Eighty-one percent of graduates were satisfied with MD/PhD training. Factor analysis confirmed the reliability of the questions measuring satisfaction. Determinants of self-reported satisfaction with physician-scientist training included co-authorship of more than six manuscripts during MD/PhD training. Additionally, protected research time at the place of current appointment was strongly associated with agreement that MD/PhD training had helped career progression. Demographic variables were not associated with any satisfaction indicator. Taken together, the majority of Canadian MD/PhD graduates are satisfied with their physician-scientist training. Project collaboration leading to co-authorships and protected research time were strongly associated with training satisfaction among graduates. If the value of collaboration can be realized among current and future physician-scientist trainees who are dissatisfied with their training, this might ultimately reduce program attrition.

Huygens probe entry, descent, and landing trajectory reconstruction using the Program to Optimize Simulated Trajectories II

NASA Astrophysics Data System (ADS)

Striepe, Scott Allen

The objectives of this research were to develop a reconstruction capability using the Program to Optimize Simulated Trajectories II (POST2), apply this capability to reconstruct the Huygens Titan probe entry, descent, and landing (EDL) trajectory, evaluate the newly developed POST2 reconstruction module, analyze the reconstructed trajectory, and assess the pre-flight simulation models used for Huygens EDL simulation. An extended Kalman filter (EKF) module was developed and integrated into POST2 to enable trajectory reconstruction (especially when using POST2-based mission specific simulations). Several validation cases, ranging from a single, constant parameter estimate to multivariable estimation cases similar to an actual mission flight, were executed to test the POST2 reconstruction module. Trajectory reconstruction of the Huygens entry probe at Titan was accomplished using accelerometer measurements taken during flight to adjust an estimated state (e.g., position, velocity, parachute drag, wind velocity, etc.) in a POST2-based simulation developed to support EDL analyses and design prior to entry. Although the main emphasis of the trajectory reconstruction was to evaluate models used in the NASA pre-entry trajectory simulation, the resulting reconstructed trajectory was also assessed to provide an independent evaluation of the ESA result. Major findings from this analysis include: Altitude profiles from this analysis agree well with other NASA and ESA results but not with Radar data, whereas a scale factor of about 0.93 would bring the radar measurements into compliance with these results; entry capsule aerodynamics predictions (axial component only) were well within 3-sigma bounds established pre-flight for most of the entry when compared to reconstructed values; Main parachute drag of 9% to 19% above ESA model was determined from the reconstructed trajectory; based on the tilt sensor and accelerometer data, the conclusion from this assessment was that the

QM/MD studies on graphene growth from small islands on the Ni(111) surface

NASA Astrophysics Data System (ADS)

Jiao, Menggai; Song, Wei; Qian, Hu-Jun; Wang, Ying; Wu, Zhijian; Irle, Stephan; Morokuma, Keiji

2016-01-01

the nuclei to expand the size of the growing carbon network. The growth of graphene precursors is accompanied by the corresponding changes in the bonding of nickel atoms with the precipitation of subsurface carbon atoms. This is because the carbon-carbon interaction is stronger than the nickel-carbon interaction. In the case of high carbon nucleation densities, the dominant ripening mechanism depends on different growth stages. In the initial stage, the coalescence of carbon islands takes place via the Smoluchowski ripening mechanism. In the later stage the Smoluchowski ripening process is damped owing to the higher diffusion barrier of larger clusters and the restriction of movement by self-assembled nickel step edges. The cross-linking mechanism eventually takes over by the coalescence of extended polyyne chains between graphene islands. In either case, the Ostwald ripening process is not found in our molecular dynamics simulations due to the stability of carbon-carbon bonds within the islands. These investigations should be instructive to the control of graphene growth in experiments. Electronic supplementary information (ESI) available: There are two movies showing the simulation process and they are provided in separate files. Movie S1 is the evolution of QM/MD simulations of the growth of graphene from one C13 on the Ni(111) surface for trajectory D@C13. Movie S2 is the evolution of QM/MD simulations of the growth of graphene from two C13 species on the Ni(111) surface for trajectory C@2C13. Fig. S1 shows the optimized geometries of C13-G and C13-H on the Ni(111) surface. Fig. S2 is the final structures of trajectories A-J@C13 following 400 ps QM/MD simulation for the Ni(111) + C13 system. Fig. S3 is the final structures of trajectories A-J@2C13 following 350 ps QM/MD simulation for the Ni(111) + 2C13 system. Fig. S4 shows average polygonal carbon ring populations formed during graphene growth from the Ni(111) + C13 and Ni(111) + 2C13 systems. Fig. S5 shows the

Coupling CP-MD simulations and X-ray absorption spectroscopy: exploring the structure of oxaliplatin in aqueous solution.

PubMed

Beret, Elizabeth C; Provost, Karine; Müller, Diane; Marcos, Enrique Sánchez

2009-09-10

A combined experimental-theoretical approach applying X-ray absorption spectroscopy and ab initio molecular dynamics (CP-MD) simulations is used to get insight into the structural determination of oxaliplatin, a third-generation anticancer drug of the cisplatin family, in aqueous solution. Experimental Pt L(III)-edge EXAFS and XANES spectra of oxaliplatin in water are compared with theoretical XAS spectra. The latter are obtained as statistically averaged spectra computed for a set of selected snapshots extracted from the MD trajectory of ethyldiamineoxalatoplatinum(II) (EDO-Pt) in liquid water. This compound is a simplified structure of oxaliplatin, where the outer part of the cyclohexane ring contained in the cyclohexanediamine ligand of oxaliplatin has been removed. We show that EDO-Pt is an appropriate model to simulate the spectroscopical properties of oxaliplatin given that the cyclohexane ring does not generate particular features in neither the EXAFS nor the XANES spectra. The computation of average EXAFS spectra using structures from the MD simulation in which atoms are selected according to different cutoff radii around the Pt center allows the assignment of spectral features to particular structural motifs, both in k and R-spaces. The outer oxygen atoms of the oxalate ligand (R(Pt-O(II)) = 3.97 +/- 0.03 A) are responsible for a well-defined hump at around 6.5 A(-1) in the k(2)-weighted EXAFS spectrum. The conventional EXAFS analysis data procedure is reexamined by its application to the simulated average EXAFS spectra. The structural parameters resulting from the fit may then be compared with those obtained from the simulation, providing an estimation of the methodological error associated with the global fitting procedure. A thorough discussion on the synergy between the experimental and theoretical XAS approaches is presented, and evidence for the detection of a slight hydration structure around the Pt complex is shown, leading to the suggestion of a

Spatial variability of hailfalls in France: an analysis of air mass retro-trajectories

NASA Astrophysics Data System (ADS)

Hermida, Lucía; Merino, Andrés; Sánchez, José Luis; Berthet, Claude; Dessens, Jean; López, Laura; Fernández-González, Sergio; Gascón, Estíbaliz; García-Ortega, Eduardo

2014-05-01

Hail is the main meteorological risk in south-west France, with the strongest hailfalls being concentrated in just a few days. Specifically, this phenomenon occurs most often and with the greatest severity in the Midi-Pyrénées area. Previous studies have revealed the high spatial variability of hailfall in this part of France, even leading to different characteristics being recorded on hailpads that were relatively close together. For this reason, an analysis of the air mass trajectories was carried out at ground level and at altitude, which subsequently led to the formation of the hail recorded by these hailpads. It is already known that in the study zone, the trajectories of the storms usually stretch for long distances and are oriented towards the east, leading to hailstones with diameters in excess of 3 cm, and without any change in direction above 3 km. We analysed different days with hail precipitation where there was at least one stone with a diameter of 3 cm or larger. Using the simulations from these days, an analysis of the backward trajectories of the air masses was carried out. We used the HYSPLIT (Hybrid Single Particle Lagrangian Integrated Trajectory Model) to determine the origin of the air masses, and tracked them toward each of the hailpads that were hit during the day studied. The height of the final points was the height of the impacted hailpads. Similarly, the backward trajectories for different heights were also established. Finally, the results show how storms that affect neighbouring hailpads come from very different air masses; and provide a deeper understanding of the high variability that affects the characteristics of hailfalls. Acknowledgements The authors would like to thank the Regional Government of Castile-León for its financial support through the project LE220A11-2. This study was supported by the following grants: GRANIMETRO (CGL2010-15930); MICROMETEO (IPT-310000-2010-22).

Marijuana use trajectories among drug-using youth presenting to an urban emergency department: Violence and social influences

PubMed Central

Walton, Maureen A.; Epstein-Ngo, Quyen; Carter, Patrick M.; Zimmerman, Marc A.; Blow, Frederic C.; Buu, Anne; Goldstick, Jason; Cunningham, Rebecca M.

2017-01-01

Aims This paper examined longitudinal marijuana use trajectories among drug-using youth presenting to the ED to inform intervention development. Methods Given interest in substance use and violence, this study oversampled those presenting with assault injuries. Assault-injured youth (ages 14-24) endorsing past 6-month drug use (n=349), and a sex and age proportionally-sampled comparison group (n=250) endorsing drug use, completed a baseline assessment and follow-ups at 6, 12, 18, and 24 months. Latent class trajectory analyses examined days of marijuana use over 2 years. Multinomial regression analyses examined baseline, 12-month and 24-month factors associated with substance use trajectory groups. Results Trajectory analyses identified 5 groups: Low (Low; 28.2%; n=169); Intermittent (INT; 16.2%; n=97); Moderate Decline (MD; 12.0%; n=72); High decline (HD, 13.2%; n=79) and Chronic (C; 30.4%; n=182). At baseline, as compared to the Low group, the other trajectory groups were more likely to be male and have greater levels of physical aggression. At 12- and 24-months, negative and positive peer influences, incarceration and community violence were additional characteristics associated with the greater marijuana use trajectories (as compared to the Low group). Conclusions Interventions for drug-using youth presenting to the urban ED should address peer influences, physical aggression and community violence exposure, given the association between these characteristics and greater marijuana use trajectories. PMID:28219802

Combining Rosetta with molecular dynamics (MD): A benchmark of the MD-based ensemble protein design.

PubMed

Ludwiczak, Jan; Jarmula, Adam; Dunin-Horkawicz, Stanislaw

2018-07-01

Computational protein design is a set of procedures for computing amino acid sequences that will fold into a specified structure. Rosetta Design, a commonly used software for protein design, allows for the effective identification of sequences compatible with a given backbone structure, while molecular dynamics (MD) simulations can thoroughly sample near-native conformations. We benchmarked a procedure in which Rosetta design is started on MD-derived structural ensembles and showed that such a combined approach generates 20-30% more diverse sequences than currently available methods with only a slight increase in computation time. Importantly, the increase in diversity is achieved without a loss in the quality of the designed sequences assessed by their resemblance to natural sequences. We demonstrate that the MD-based procedure is also applicable to de novo design tasks started from backbone structures without any sequence information. In addition, we implemented a protocol that can be used to assess the stability of designed models and to select the best candidates for experimental validation. In sum our results demonstrate that the MD ensemble-based flexible backbone design can be a viable method for protein design, especially for tasks that require a large pool of diverse sequences. Copyright © 2018 Elsevier Inc. All rights reserved.

The bZIP transcription factor MdHY5 regulates anthocyanin accumulation and nitrate assimilation in apple.

PubMed

An, Jian-Ping; Qu, Feng-Jia; Yao, Ji-Fang; Wang, Xiao-Na; You, Chun-Xiang; Wang, Xiao-Fei; Hao, Yu-Jin

2017-01-01

The basic leucine zipper (bZIP) transcription factor HY5 plays a multifaceted role in plant growth and development. Here the apple MdHY5 gene was cloned based on its homology with Arabidopsis HY5 . Expression analysis demonstrated that MdHY5 transcription was induced by light and abscisic acid treatments. Electrophoretic mobility shift assays and transient expression assays subsequently showed that MdHY5 positively regulated both its own transcription and that of MdMYB10 by binding to E-box and G-box motifs, respectively. Furthermore, we obtained transgenic apple calli that overexpressed the MdHY5 gene, and apple calli coloration assays showed that MdHY5 promoted anthocyanin accumulation by regulating expression of the MdMYB10 gene and downstream anthocyanin biosynthesis genes. In addition, the transcript levels of a series of nitrate reductase genes and nitrate uptake genes in both wild-type and transgenic apple calli were detected. In association with increased nitrate reductase activities and nitrate contents, the results indicated that MdHY5 might be an important regulator in nutrient assimilation. Taken together, these results indicate that MdHY5 plays a vital role in anthocyanin accumulation and nitrate assimilation in apple.

Trajectory-Based Loads for the Ares I-X Test Flight Vehicle

NASA Technical Reports Server (NTRS)

Vause, Roland F.; Starr, Brett R.

2011-01-01

In trajectory-based loads, the structural engineer treats each point on the trajectory as a load case. Distributed aero, inertial, and propulsion forces are developed for the structural model which are equivalent to the integrated values of the trajectory model. Free-body diagrams are then used to solve for the internal forces, or loads, that keep the applied aero, inertial, and propulsion forces in dynamic equilibrium. There are several advantages to using trajectory-based loads. First, consistency is maintained between the integrated equilibrium equations of the trajectory analysis and the distributed equilibrium equations of the structural analysis. Second, the structural loads equations are tied to the uncertainty model for the trajectory systems analysis model. Atmosphere, aero, propulsion, mass property, and controls uncertainty models all feed into the dispersions that are generated for the trajectory systems analysis model. Changes in any of these input models will affect structural loads response. The trajectory systems model manages these inputs as well as the output from the structural model over thousands of dispersed cases. Large structural models with hundreds of thousands of degrees of freedom would execute too slowly to be an efficient part of several thousand system analyses. Trajectory-based loads provide a means for the structures discipline to be included in the integrated systems analysis. Successful applications of trajectory-based loads methods for the Ares I-X vehicle are covered in this paper. Preliminary design loads were based on 2000 trajectories using Monte Carlo dispersions. Range safety loads were tied to 8423 malfunction turn trajectories. In addition, active control system loads were based on 2000 preflight trajectories using Monte Carlo dispersions.

The Management of Information Analysis Centers: [Proceedings of a Forum] Held at National Bureau of Standards, Gaithersburg, Md., May 17-19, 1971.

ERIC Educational Resources Information Center

Smith, William A., Ed.

The papers given at the May 17-19 forum on Management of Information Analysis Centers held at the National Bureau of Standards in Gaithersburg, Md. are presented in four sessions separated by topic. Besides the welcoming remarks and the keynote address session 1 contains three general papers on information analysis centers and automatic data…

Studies of the TLR4-associated protein MD-2 using yeast-display and mutational analyses

PubMed Central

Mattis, Daiva M.; Chervin, Adam; Ranoa, Diana; Kelley, Stacy; Tapping, Richard; Kranz, David M.

2015-01-01

Bacterial lipopolysaccharide (LPS) activates the innate immune system by forming a complex with myeloid differentiation factor 2 (MD-2) and Toll-like receptor 4 (TLR4), which is present on antigen presenting cells. MD-2 plays an essential role in this activation of the innate immune system as a member of the ternary complex, TLR4:MD-2:LPS. With the goal of further understanding the molecular details of the interaction of MD-2 with LPS and TLR4, and possibly toward engineering dominant negative regulators of the MD-2 protein, here we subjected MD-2 to a mutational analysis using yeast display. The approach included generation of site-directed alanine mutants, and ligand-driven selections of MD-2 mutant libraries. Our findings showed that: 1) proline mutations in the F119-K132 loop that binds LPS were strongly selected for enhanced yeast surface stability, 2) there was a preference for positive-charged side chains (R/K) at residue 120 for LPS binding, and negative-charged side chains (D/E) for TLR4 binding, 3) aromatic residues were strongly preferred at F119 and F121 for LPS binding, and 4) an MD-2 mutant (T84N/D101A/S118A/S120D/K122P) exhibited increased binding to TLR4 but decreased binding to LPS. These studies revealed the impact of specific residues and regions of MD-2 on the binding of LPS and TLR4, and they provide a framework for further directed evolution of the MD-2 protein. PMID:26320630

Hi-G electronic gated camera for precision trajectory analysis

NASA Astrophysics Data System (ADS)

Snyder, Donald R.; Payne, Scott; Keller, Ed; Longo, Salvatore; Caudle, Dennis E.; Walker, Dennis C.; Sartor, Mark A.; Keeler, Joe E.; Kerr, David A.; Fail, R. Wallace; Gannon, Jim; Carrol, Ernie; Jamison, Todd A.

1997-12-01

It is extremely difficult and expensive to determine the flight attitude and aimpoint of small maneuvering miniature air vehicles from ground based fixed or tracking photography. Telemetry alone cannot provide sufficient information bandwidth on 'what' the ground tracking is seeing and consequently 'why' it did or did not function properly. Additionally, it is anticipated that 'smart' and 'brilliant' guided vehicles now in development will require a high resolution imaging support system to determine which target and which part of a ground feature is being used for navigation or targeting. Other requirements include support of sub-component separation from developmental supersonic vehicles, where the clean separation from the container is not determinable from ground based film systems and film cameras do not survive vehicle breakup and impact. Hence, the requirement is to develop and demonstrate an imaging support system for development/testing that can provide the flight vehicle developer/analyst with imagery (combined with miniature telemetry sources) sufficient to recreate the trajectory, terminal navigation, and flight termination events. This project is a development and demonstration of a real-time, launch-rated, shuttered, electronic imager, transmitter, and analysis system. This effort demonstrated boresighted imagery from inside small flight vehicles for post flight analysis of trajectory, and capture of ground imagery during random triggered vehicle functions. The initial studies for this capability have been accomplished by the Experimental Dynamics Section of the Air Force Wright Laboratory, Armament Directorate, Eglin AFB, Florida, and the Telemetry Support Branch of the Army Material Research and Development Center at Picatinny Arsenal, New Jersey. It has been determined that at 1/10,000 of a second exposure time, new ultra-miniature CCD sensors have sufficient sensitivity to image key ground target features without blur, thereby providing data for

UV - GAITHERSBURG MD

EPA Science Inventory

Brewer 105 is located in Gaithersburg MD, measuring ultraviolet solar radiation. Irradiance and column ozone are derived from this data. Ultraviolet solar radiation is measured with a Brewer Mark IV, single-monochrometer, spectrophotometer manufactured by SCI-TEC Instruments, Inc...

Celastrol reverses palmitic acid (PA)-caused TLR4-MD2 activation-dependent insulin resistance via disrupting MD2-related cellular binding to PA.

PubMed

Zhang, Xue; Wang, Ying; Ge, Hui-Ya; Gu, Yi-Jun; Cao, Fan-Fan; Yang, Chun-Xin; Uzan, Georges; Peng, Bin; Zhang, Deng-Hai

2018-04-18

Elevated plasma statured fatty acids (FFAs) cause TLR4/MD2 activation-dependent inflammation and insulin tolerance, which account for the occurrence and development of obesity. It has been confirmed that statured palmitic acid (PA) (the most abundant FFA) could bind MD2 to cause cellular inflammation. The natural compound celastrol could improve obesity, which is suggested via inhibiting inflammation, yet the detailed mechanism for celastrol is still unclear. As celastrol is reported to directly target MD2, we thought disrupting the binding between FFAs and MD2 might be one of the ways for celastrol to inhibit FFAs-caused inflammation and insulin resistance. In this study, we found evidence to support our hypothesis: celastrol could reverse PA-caused TLR4/MD2 activation-dependent insulin resistance, as determined by glucose-lowering ability, cellular glucose uptake, insulin action-related proteins and TLR4/MD2/NF-κB activation. Bioinformatics and cellular experiments showed that both celastrol and PA could bind MD2, and that celastrol could expel PA from cells. Finally, celastrol could reverse high fat diet caused hyperglycemia and obesity, and liver NF-kB activations. Taking together, we proved that celastrol could reverses PA-caused TLR4-MD2 activation-dependent insulin resistance via disrupting PA binding to MD2. © 2018 Wiley Periodicals, Inc.

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data

NASA Astrophysics Data System (ADS)

Shkurti, Ardita; Goni, Ramon; Andrio, Pau; Breitmoser, Elena; Bethune, Iain; Orozco, Modesto; Laughton, Charles A.

The biomolecular simulation community is currently in need of novel and optimised software tools that can analyse and process, in reasonable timescales, the large generated amounts of molecular simulation data. In light of this, we have developed and present here pyPcazip: a suite of software tools for compression and analysis of molecular dynamics (MD) simulation data. The software is compatible with trajectory file formats generated by most contemporary MD engines such as AMBER, CHARMM, GROMACS and NAMD, and is MPI parallelised to permit the efficient processing of very large datasets. pyPcazip is a Unix based open-source software (BSD licenced) written in Python.

PoopMD, a Mobile Health Application, Accurately Identifies Infant Acholic Stools.

PubMed

Franciscovich, Amy; Vaidya, Dhananjay; Doyle, Joe; Bolinger, Josh; Capdevila, Montserrat; Rice, Marcus; Hancock, Leslie; Mahr, Tanya; Mogul, Douglas B

2015-01-01

Biliary atresia (BA) is the leading cause of pediatric end-stage liver disease in the United States. Education of parents in the perinatal period with stool cards depicting acholic and normal stools has been associated with improved time-to-diagnosis and survival in BA. PoopMD is a mobile application that utilizes a smartphone's camera and color recognition software to analyze an infant's stool and determine if additional follow-up is indicated. PoopMD was developed using custom HTML5/CSS3 and wrapped to work on iOS and Android platforms. In order to define the gold standard regarding stool color, seven pediatricians were asked to review 45 photographs of infant stool and rate them as acholic, normal, or indeterminate. Samples for which 6+ pediatricians demonstrated agreement defined the gold standard, and only these samples were included in the analysis. Accuracy of PoopMD was assessed using an iPhone 5s with incandescent lighting. Variability in analysis of stool photographs as acholic versus normal with intermediate rating weighted as 50% agreement (kappa) was compared between three laypeople and one expert user. Variability in output was also assessed between an iPhone 5s and a Samsung Galaxy S4, as well as between incandescent lighting and compact fluorescent lighting. Six-plus pediatricians agreed on 27 normal and 7 acholic photographs; no photographs were defined as indeterminate. The sensitivity was 7/7 (100%). The specificity was 24/27 (89%) with 3/27 labeled as indeterminate; no photos of normal stool were labeled as acholic. The Laplace-smoothed positive likelihood ratio was 6.44 (95% CI 2.52 to 16.48) and the negative likelihood ratio was 0.13 (95% CI 0.02 to 0.83). kappauser was 0.68, kappaphone was 0.88, and kappalight was 0.81. Therefore, in this pilot study, PoopMD accurately differentiates acholic from normal color with substantial agreement across users, and almost perfect agreement across two popular smartphones and ambient light settings. PoopMD

Scout trajectory error propagation computer program

NASA Technical Reports Server (NTRS)

Myler, T. R.

1982-01-01

Since 1969, flight experience has been used as the basis for predicting Scout orbital accuracy. The data used for calculating the accuracy consists of errors in the trajectory parameters (altitude, velocity, etc.) at stage burnout as observed on Scout flights. Approximately 50 sets of errors are used in Monte Carlo analysis to generate error statistics in the trajectory parameters. A covariance matrix is formed which may be propagated in time. The mechanization of this process resulted in computer program Scout Trajectory Error Propagation (STEP) and is described herein. Computer program STEP may be used in conjunction with the Statistical Orbital Analysis Routine to generate accuracy in the orbit parameters (apogee, perigee, inclination, etc.) based upon flight experience.

Lander Trajectory Reconstruction computer program

NASA Technical Reports Server (NTRS)

Adams, G. L.; Bradt, A. J.; Ferguson, J. B.; Schnelker, H. J.

1971-01-01

The Lander Trajectory Reconstruction (LTR) computer program is a tool for analysis of the planetary entry trajectory and atmosphere reconstruction process for a lander or probe. The program can be divided into two parts: (1) the data generator and (2) the reconstructor. The data generator provides the real environment in which the lander or probe is presumed to find itself. The reconstructor reconstructs the entry trajectory and atmosphere using sensor data generated by the data generator and a Kalman-Schmidt consider filter. A wide variety of vehicle and environmental parameters may be either solved-for or considered in the filter process.

Quantitative Assessment of Molecular Dynamics Sampling for Flexible Systems.

PubMed

Nemec, Mike; Hoffmann, Daniel

2017-02-14

Molecular dynamics (MD) simulation is a natural method for the study of flexible molecules but at the same time is limited by the large size of the conformational space of these molecules. We ask by how much the MD sampling quality for flexible molecules can be improved by two means: the use of diverse sets of trajectories starting from different initial conformations to detect deviations between samples and sampling with enhanced methods such as accelerated MD (aMD) or scaled MD (sMD) that distort the energy landscape in controlled ways. To this end, we test the effects of these approaches on MD simulations of two flexible biomolecules in aqueous solution, Met-Enkephalin (5 amino acids) and HIV-1 gp120 V3 (a cycle of 35 amino acids). We assess the convergence of the sampling quantitatively with known, extensive measures of cluster number N c and cluster distribution entropy S c and with two new quantities, conformational overlap O conf and density overlap O dens , both conveniently ranging from 0 to 1. These new overlap measures quantify self-consistency of sampling in multitrajectory MD experiments, a necessary condition for converged sampling. A comprehensive assessment of sampling quality of MD experiments identifies the combination of diverse trajectory sets and aMD as the most efficient approach among those tested. However, analysis of O dens between conventional and aMD trajectories also reveals that we have not completely corrected aMD sampling for the distorted energy landscape. Moreover, for V3, the courses of N c and O dens indicate that much higher resources than those generally invested today will probably be needed to achieve convergence. The comparative analysis also shows that conventional MD simulations with insufficient sampling can be easily misinterpreted as being converged.

Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states

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

Wu, Hao; Mey, Antonia S. J. S.; Noé, Frank

2014-12-07

We propose a discrete transition-based reweighting analysis method (dTRAM) for analyzing configuration-space-discretized simulation trajectories produced at different thermodynamic states (temperatures, Hamiltonians, etc.) dTRAM provides maximum-likelihood estimates of stationary quantities (probabilities, free energies, expectation values) at any thermodynamic state. In contrast to the weighted histogram analysis method (WHAM), dTRAM does not require data to be sampled from global equilibrium, and can thus produce superior estimates for enhanced sampling data such as parallel/simulated tempering, replica exchange, umbrella sampling, or metadynamics. In addition, dTRAM provides optimal estimates of Markov state models (MSMs) from the discretized state-space trajectories at all thermodynamic states. Under suitablemore » conditions, these MSMs can be used to calculate kinetic quantities (e.g., rates, timescales). In the limit of a single thermodynamic state, dTRAM estimates a maximum likelihood reversible MSM, while in the limit of uncorrelated sampling data, dTRAM is identical to WHAM. dTRAM is thus a generalization to both estimators.« less

Design and Analysis of Optimal Ascent Trajectories for Stratospheric Airships

NASA Astrophysics Data System (ADS)

Mueller, Joseph Bernard

Stratospheric airships are lighter-than-air vehicles that have the potential to provide a long-duration airborne presence at altitudes of 18-22 km. Designed to operate on solar power in the calm portion of the lower stratosphere and above all regulated air traffic and cloud cover, these vehicles represent an emerging platform that resides between conventional aircraft and satellites. A particular challenge for airship operation is the planning of ascent trajectories, as the slow moving vehicle must traverse the high wind region of the jet stream. Due to large changes in wind speed and direction across altitude and the susceptibility of airship motion to wind, the trajectory must be carefully planned, preferably optimized, in order to ensure that the desired station be reached within acceptable performance bounds of flight time and energy consumption. This thesis develops optimal ascent trajectories for stratospheric airships, examines the structure and sensitivity of these solutions, and presents a strategy for onboard guidance. Optimal ascent trajectories are developed that utilize wind energy to achieve minimum-time and minimum-energy flights. The airship is represented by a three-dimensional point mass model, and the equations of motion include aerodynamic lift and drag, vectored thrust, added mass effects, and accelerations due to mass flow rate, wind rates, and Earth rotation. A representative wind profile is developed based on historical meteorological data and measurements. Trajectory optimization is performed by first defining an optimal control problem with both terminal and path constraints, then using direct transcription to develop an approximate nonlinear parameter optimization problem of finite dimension. Optimal ascent trajectories are determined using SNOPT for a variety of upwind, downwind, and crosswind launch locations. Results of extensive optimization solutions illustrate definitive patterns in the ascent path for minimum time flights across

Optimization design and dynamic analysis on the drive mechanisms of flapping-wing air vehicles based on flapping trajectories

NASA Astrophysics Data System (ADS)

Xie, Lingwang; Zhang, Xingwei; Luo, Pan; Huang, Panpan

2017-10-01

The optimization designs and dynamic analysis on the driving mechanism of flapping-wing air vehicles on base of flapping trajectory patterns is carried out in this study. Three different driving mechanisms which are spatial double crank-rocker, plane five-bar and gear-double slider, are systematically optimized and analysed by using the Mat lab and Adams software. After a series debugging on the parameter, the comparatively ideal flapping trajectories are obtained by the simulation of Adams. Present results indicate that different drive mechanisms output different flapping trajectories and have their unique characteristic. The spatial double crank-rocker mechanism can only output the arc flapping trajectory and it has the advantages of small volume, high flexibility and efficient space utilization. Both planar five-bar mechanism and gear-double slider mechanism can output the oval, figure of eight and double eight flapping trajectories. Nevertheless, the gear-double slider mechanism has the advantage of convenient parameter setting and better performance in output double eight flapping trajectory. This study can provide theoretical basis and helpful reference for the design of the drive mechanisms of flapping-wing air vehicles with different output flapping trajectories.

Particle trajectory computer program for icing analysis of axisymmetric bodies

NASA Technical Reports Server (NTRS)

Frost, Walter; Chang, Ho-Pen; Kimble, Kenneth R.

1982-01-01

General aviation aircraft and helicopters exposed to an icing environment can accumulate ice resulting in a sharp increase in drag and reduction of maximum lift causing hazardous flight conditions. NASA Lewis Research Center (LeRC) is conducting a program to examine, with the aid of high-speed computer facilities, how the trajectories of particles contribute to the ice accumulation on airfoils and engine inlets. This study, as part of the NASA/LeRC research program, develops a computer program for the calculation of icing particle trajectories and impingement limits relative to axisymmetric bodies in the leeward-windward symmetry plane. The methodology employed in the current particle trajectory calculation is to integrate the governing equations of particle motion in a flow field computed by the Douglas axisymmetric potential flow program. The three-degrees-of-freedom (horizontal, vertical, and pitch) motion of the particle is considered. The particle is assumed to be acted upon by aerodynamic lift and drag forces, gravitational forces, and for nonspherical particles, aerodynamic moments. The particle momentum equation is integrated to determine the particle trajectory. Derivation of the governing equations and the method of their solution are described in Section 2.0. General features, as well as input/output instructions for the particle trajectory computer program, are described in Section 3.0. The details of the computer program are described in Section 4.0. Examples of the calculation of particle trajectories demonstrating application of the trajectory program to given axisymmetric inlet test cases are presented in Section 5.0. For the examples presented, the particles are treated as spherical water droplets. In Section 6.0, limitations of the program relative to excessive computer time and recommendations in this regard are discussed.

Friendship networks and trajectories of adolescent tobacco use.

PubMed

Pollard, Michael S; Tucker, Joan S; Green, Harold D; Kennedy, David; Go, Myong-Hyun

2010-07-01

This article examines how friendship networks in adolescence are linked to tobacco use trajectories through a combination of analytic techniques that traditionally are located in separate literatures: social network analysis and developmental trajectory analysis. Using six years of longitudinal data from the National Longitudinal Study of Adolescent Health, we identify a set of six unique developmental trajectories of smoking (never smokers, steady lows, delayed increasers, early increasers, decreasers, and steady highs). Individuals' locations in their friendship networks were then linked to their trajectory group membership. Adolescents with a greater number of smoking friends were more likely to belong to the higher use trajectories. Beyond this exposure to smoking peers, individuals who at baseline were either members of a smoking group or liaisons to a smoking group were more likely than members of a nonsmoking group to belong to the higher use trajectories. Liaisons to a smoking group were particularly likely to belong to the delayed increaser trajectory group. Trajectory group membership for adolescents who belonged to a nonsmoking group did not significantly differ from those who were isolates or liaisons to a nonsmoking group. The study suggests features of an individual's social network have long-lasting associations with smoking behaviors. 2010 Elsevier Ltd. All rights reserved.

A coupling of homology modeling with multiple molecular dynamics simulation for identifying representative conformation of GPCR structures: a case study on human bombesin receptor subtype-3.

PubMed

Nowroozi, Amin; Shahlaei, Mohsen

2017-02-01

In this study, a computational pipeline was therefore devised to overcome homology modeling (HM) bottlenecks. The coupling of HM with molecular dynamics (MD) simulation is useful in that it tackles the sampling deficiency of dynamics simulations by providing good-quality initial guesses for the native structure. Indeed, HM also relaxes the severe requirement of force fields to explore the huge conformational space of protein structures. In this study, the interaction between the human bombesin receptor subtype-3 and MK-5046 was investigated integrating HM, molecular docking, and MD simulations. To improve conformational sampling in typical MD simulations of GPCRs, as in other biomolecules, multiple trajectories with different initial conditions can be employed rather than a single long trajectory. Multiple MD simulations of human bombesin receptor subtype-3 with different initial atomic velocities are applied to sample conformations in the vicinity of the structure generated by HM. The backbone atom conformational space distribution of replicates is analyzed employing principal components analysis. As a result, the averages of structural and dynamic properties over the twenty-one trajectories differ significantly from those obtained from individual trajectories.

Learning probabilistic models of hydrogen bond stability from molecular dynamics simulation trajectories.

PubMed

Chikalov, Igor; Yao, Peggy; Moshkov, Mikhail; Latombe, Jean-Claude

2011-02-15

Hydrogen bonds (H-bonds) play a key role in both the formation and stabilization of protein structures. They form and break while a protein deforms, for instance during the transition from a non-functional to a functional state. The intrinsic strength of an individual H-bond has been studied from an energetic viewpoint, but energy alone may not be a very good predictor. This paper describes inductive learning methods to train protein-independent probabilistic models of H-bond stability from molecular dynamics (MD) simulation trajectories of various proteins. The training data contains 32 input attributes (predictors) that describe an H-bond and its local environment in a conformation c and the output attribute is the probability that the H-bond will be present in an arbitrary conformation of this protein achievable from c within a time duration Δ. We model dependence of the output variable on the predictors by a regression tree. Several models are built using 6 MD simulation trajectories containing over 4000 distinct H-bonds (millions of occurrences). Experimental results demonstrate that such models can predict H-bond stability quite well. They perform roughly 20% better than models based on H-bond energy alone. In addition, they can accurately identify a large fraction of the least stable H-bonds in a conformation. In most tests, about 80% of the 10% H-bonds predicted as the least stable are actually among the 10% truly least stable. The important attributes identified during the tree construction are consistent with previous findings. We use inductive learning methods to build protein-independent probabilistic models to study H-bond stability, and demonstrate that the models perform better than H-bond energy alone.

MdCOP1 Ubiquitin E3 Ligases Interact with MdMYB1 to Regulate Light-Induced Anthocyanin Biosynthesis and Red Fruit Coloration in Apple1[W][OA

PubMed Central

Li, Yuan-Yuan; Mao, Ke; Zhao, Cheng; Zhao, Xian-Yan; Zhang, Hua-Lei; Shu, Huai-Rui; Hao, Yu-Jin

2012-01-01

MdMYB1 is a crucial regulator of light-induced anthocyanin biosynthesis and fruit coloration in apple (Malus domestica). In this study, it was found that MdMYB1 protein accumulated in the light but degraded via a ubiquitin-dependent pathway in the dark. Subsequently, the MdCOP1-1 and MdCOP1-2 genes were isolated from apple fruit peel and were functionally characterized in the Arabidopsis (Arabidopsis thaliana) cop1-4 mutant. Yeast (Saccharomyces cerevisiae) two-hybrid, bimolecular fluorescence complementation, and coimmunoprecipitation assays showed that MdMYB1 interacts with the MdCOP1 proteins. Furthermore, in vitro and in vivo experiments indicated that MdCOP1s are necessary for the ubiquitination and degradation of MdMYB1 protein in the dark and are therefore involved in the light-controlled stability of the MdMYB1 protein. Finally, a viral vector-based transformation approach demonstrated that MdCOP1s negatively regulate the peel coloration of apple fruits by modulating the degradation of the MdMYB1 protein. Our findings provide new insight into the mechanism by which light controls anthocyanin accumulation and red fruit coloration in apple and even other plant species. PMID:22855936

The power of a single trajectory

NASA Astrophysics Data System (ADS)

Schnellbächer, Nikolas D.; Schwarz, Ulrich S.

2018-03-01

Random walks are often evaluated in terms of their mean squared displacements, either for a large number of trajectories or for one very long trajectory. An alternative evaluation is based on the power spectral density, but here it is less clear which information can be extracted from a single trajectory. For continuous-time Brownian motion, Krapf et al now have mathematically proven that the one property that can be reliably extracted from a single trajectory is the frequency dependence of the ensemble-averaged power spectral density (Krapf et al 2018 New J. Phys. 20 023029). Their mathematical analysis also identifies the appropriate frequency window for this procedure and shows that the diffusion coefficient can be extracted by averaging over a small number of trajectories. The authors have verified their analytical results both by computer simulations and experiments.

An oilspill trajectory analysis model with a variable wind deflection angle

USGS Publications Warehouse

Samuels, W.B.; Huang, N.E.; Amstutz, D.E.

1982-01-01

The oilspill trajectory movement algorithm consists of a vector sum of the surface drift component due to wind and the surface current component. In the U.S. Geological Survey oilspill trajectory analysis model, the surface drift component is assumed to be 3.5% of the wind speed and is rotated 20 degrees clockwise to account for Coriolis effects in the Northern Hemisphere. Field and laboratory data suggest, however, that the deflection angle of the surface drift current can be highly variable. An empirical formula, based on field observations and theoretical arguments relating wind speed to deflection angle, was used to calculate a new deflection angle at each time step in the model. Comparisons of oilspill contact probabilities to coastal areas calculated for constant and variable deflection angles showed that the model is insensitive to this changing angle at low wind speeds. At high wind speeds, some statistically significant differences in contact probabilities did appear. ?? 1982.

A comparison between elastic network interpolation and MD simulation of 16S ribosomal RNA.

PubMed

Kim, Moon K; Li, Wen; Shapiro, Bruce A; Chirikjian, Gregory S

2003-12-01

In this paper a coarse-grained method called elastic network interpolation (ENI) is used to generate feasible transition pathways between two given conformations of the core central domain of 16S Ribosomal RNA (16S rRNA). The two given conformations are the extremes generated by a molecular dynamics (MD) simulation, which differ from each other by 10A in root-mean-square deviation (RMSD). It takes only several hours to build an ENI pathway on a 1.5GHz Pentium with 512 MB memory, while the MD takes several weeks on high-performance multi-processor servers such as the SGI ORIGIN 2000/2100. It is shown that multiple ENI pathways capture the essential anharmonic motions of millions of timesteps in a particular MD simulation. A coarse-grained normal mode analysis (NMA) is performed on each intermediate ENI conformation, and the lowest 1% of the normal modes (representing about 40 degrees of freedom (DOF)) are used to parameterize fluctuations. This combined ENI/NMA method captures all intermediate conformations in the MD run with 1.5A RMSD on average. In addition, if we restrict attention to the time interval of the MD run between the two extreme conformations, the RMSD between the closest ENI/NMA pathway and the MD results is about 1A. These results may serve as a paradigm for reduced-DOF dynamic simulations of large biological macromolecules as well as a method for the reduced-parameter interpretation of massive amounts of MD data.

Analysis of the MdMYB1 gene sequence and development of new molecular markers related to apple skin color and fruit-bearing traits.

PubMed

Yuan, Kejun; Wang, Changjun; Wang, Jianghui; Xin, Li; Zhou, Guangfang; Li, Linguang; Shen, Guangning

2014-12-01

MdMYB1, a key transcription factor determining apple skin color, coordinately regulates genes in the anthocyanin pathway. In this study, we analyzed the MdMYB1 gene and its relationship to apple skin color and fruit-bearing traits to better understand this gene and its application to apple breeding. A previously reported MdMYB1 dCAPS marker failed to identify alleles of the MdMYB1 gene in 'Fuji', a very important apple cultivar. In this study, we revealed that the polymorphic site related to the MdMYB1 dCAPS marker is heterozygous in 'Fuji'. In addition, two new polymorphic sites related to apple skin color were identified in the MdMYB1 gene, with two new molecular markers accordingly developed. Testing of these markers in 'Fuji' and its progeny revealed that they could predict apple skin color and identify alleles of the MdMYB1 gene in this cultivar. Most interestingly, the allele MdMYB1-2 in 'Gala' apple and its hybrid plants was found to be related to the fruit-bearing trait, and the molecular marker Mb2 was able to identify the MdMYB1-2 allele. Our study is apparently the first to report a relationship between the MdMYB1 allele and the fruit-bearing trait in apple. More work is needed to determine whether and how the MdMYB1 gene or a gene linked to the MdMYB1-2 allele influences the flowering trait in perennial apple trees, and whether flowering in other plants is influenced by related genes.

Trajectory analysis of Polar Patrol Balloon (PPB) flights in the stratosphere over Antarctica in summer and spring: A preliminary result

NASA Technical Reports Server (NTRS)

Kanzawa, Hiroshi; Fujii, Ryoichi; Yamazaki, Koji; Yamanaka, Manabu D.

1994-01-01

Actual trajectories of two PPB's which flew in the Antarctic stratosphere in austral summer and spring are compared with those calculated based on objective analysis data of Japan Meteorological Agency (JMA). The differences between the actual and calculated trajectories are discussed to check reliability of the JMA objective analysis data for the stratosphere, and to detect subsynoptic scale variability due to gravity waves and others.

LifeBridge new publication: Md.MD. Listing of 1,200 physicians a major part of consumer-type magazine.

PubMed

Botvin, Judith D

2004-01-01

LifeBridge Health, Baltimore, created a directory of its physicians, which developed into a 100-page consumer magazine titled Md.MD A Directory of the Region's Finest Physicians. Written and designed in-house, the premier edition paid for itself, thanks to publishing partner, Alter Communications. The premier edition was mailed to 50,000 Baltimore area homes last September.

Trajectories of Delinquency and Parenting Styles

PubMed Central

Blokland, Arjan; Dubas, Judith Semon; Loeber, Rolf; Gerris, Jan R. M.; van der Laan, Peter H.

2007-01-01

We investigated trajectories of adolescent delinquent development using data from the Pittsburgh Youth Study and examined the extent to which these different trajectories are differentially predicted by childhood parenting styles. Based on self-reported and official delinquency seriousness, covering ages 10–19, we identified five distinct delinquency trajectories differing in both level and change in seriousness over time: a nondelinquent, minor persisting, moderate desisting, serious persisting, and serious desisting trajectory. More serious delinquents tended to more frequently engage in delinquency, and to report a higher proportion of theft. Proportionally, serious persistent delinquents were the most violent of all trajectory groups. Using cluster analysis we identified three parenting styles: authoritative, authoritarian (moderately supportive), and neglectful (punishing). Controlling for demographic characteristics and childhood delinquency, neglectful parenting was more frequent in moderate desisters, serious persisters, and serious desisters, suggesting that parenting styles differentiate non- or minor delinquents from more serious delinquents. PMID:17786548

Trajectories of delinquency and parenting styles.

PubMed

Hoeve, Machteld; Blokland, Arjan; Dubas, Judith Semon; Loeber, Rolf; Gerris, Jan R M; van der Laan, Peter H

2008-02-01

We investigated trajectories of adolescent delinquent development using data from the Pittsburgh Youth Study and examined the extent to which these different trajectories are differentially predicted by childhood parenting styles. Based on self-reported and official delinquency seriousness, covering ages 10-19, we identified five distinct delinquency trajectories differing in both level and change in seriousness over time: a nondelinquent, minor persisting, moderate desisting, serious persisting, and serious desisting trajectory. More serious delinquents tended to more frequently engage in delinquency, and to report a higher proportion of theft. Proportionally, serious persistent delinquents were the most violent of all trajectory groups. Using cluster analysis we identified three parenting styles: authoritative, authoritarian (moderately supportive), and neglectful (punishing). Controlling for demographic characteristics and childhood delinquency, neglectful parenting was more frequent in moderate desisters, serious persisters, and serious desisters, suggesting that parenting styles differentiate non- or minor delinquents from more serious delinquents.

Trajectory selection for the Mariner Jupiter/Saturn 1977 project

NASA Technical Reports Server (NTRS)

Dyer, J. S.; Miles, R. F., Jr.

1974-01-01

The use of decision analysis to facilitate a group decision-making problem in the selection of trajectories for the two spacecraft of the Mariner Jupiter/Saturn 1977 Project. A set of 32 candidate trajectory pairs was developed. Cardinal utility function values were assigned to the trajectory pairs, and the data and statistics derived from collective choice rules were used in selecting the science-preferred trajectory pair.

33 CFR 110.72 - Blackhole Creek, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Blackhole Creek, Md. 110.72 Section 110.72 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.72 Blackhole Creek, Md. The waters on the west side of...

33 CFR 110.72 - Blackhole Creek, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 1 2013-07-01 2013-07-01 false Blackhole Creek, Md. 110.72 Section 110.72 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.72 Blackhole Creek, Md. The waters on the west side of...

Expression of MdCAS1 and MdCAS2, encoding apple beta-cyanoalanine synthase homologs, is concomitantly induced during ripening and implicates MdCASs in the possible role of the cyanide detoxification in Fuji apple (Malus domestica Borkh.) fruits.

PubMed

Han, Sang Eun; Seo, Young Sam; Kim, Daeil; Sung, Soon-Kee; Kim, Woo Taek

2007-08-01

Fruit ripening involves complex biochemical and physiological changes. Ethylene is an essential hormone for the ripening of climacteric fruits. In the process of ethylene biosynthesis, cyanide (HCN), an extremely toxic compound, is produced as a co-product. Thus, most cyanide produced during fruit ripening should be detoxified rapidly by fruit cells. In higher plants, the key enzyme involved in the detoxification of HCN is beta-cyanoalanine synthase (beta-CAS). As little is known about the molecular function of beta-CAS genes in climacteric fruits, we identified two homologous genes, MdCAS1 and MdCAS2, encoding Fuji apple beta-CAS homologs. The structural features of the predicted polypeptides as well as an in vitro enzyme activity assay with bacterially expressed recombinant proteins indicated that MdCAS1 and MdCAS2 may indeed function as beta-CAS isozymes in apple fruits. RNA gel-blot studies revealed that both MdCAS1 and MdCAS2 mRNAs were coordinately induced during the ripening process of apple fruits in an expression pattern comparable with that of ACC oxidase and ethylene production. The MdCAS genes were also activated effectively by exogenous ethylene treatment and mechanical wounding. Thus, it seems like that, in ripening apple fruits, expression of MdCAS1 and MdCAS2 genes is intimately correlated with a climacteric ethylene production and ACC oxidase activity. In addition, beta-CAS enzyme activity was also enhanced as the fruit ripened, although this increase was not as dramatic as the mRNA induction pattern. Overall, these results suggest that MdCAS may play a role in cyanide detoxification in ripening apple fruits.

Mission objectives and trajectories

NASA Technical Reports Server (NTRS)

1973-01-01

The present state of the knowledge of asteroids was assessed to identify mission and target priorities for planning asteroidal flights in the 1980's and beyond. Mission objectives, mission analysis, trajectory studies, and cost analysis are discussed. A bibliography of reports and technical memoranda is included.

MDAnalysis: a toolkit for the analysis of molecular dynamics simulations.

PubMed

Michaud-Agrawal, Naveen; Denning, Elizabeth J; Woolf, Thomas B; Beckstein, Oliver

2011-07-30

MDAnalysis is an object-oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It is written in the Python language with some performance-critical code in C. It uses the powerful NumPy package to expose trajectory data as fast and efficient NumPy arrays. It has been tested on systems of millions of particles. Many common file formats of simulation packages including CHARMM, Gromacs, Amber, and NAMD and the Protein Data Bank format can be read and written. Atoms can be selected with a syntax similar to CHARMM's powerful selection commands. MDAnalysis enables both novice and experienced programmers to rapidly write their own analytical tools and access data stored in trajectories in an easily accessible manner that facilitates interactive explorative analysis. MDAnalysis has been tested on and works for most Unix-based platforms such as Linux and Mac OS X. It is freely available under the GNU General Public License from http://mdanalysis.googlecode.com. Copyright © 2011 Wiley Periodicals, Inc.

General order parameter based correlation analysis of protein backbone motions between experimental NMR relaxation measurements and molecular dynamics simulations

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

Liu, Qing; Shi, Chaowei; Yu, Lu

Internal backbone dynamic motions are essential for different protein functions and occur on a wide range of time scales, from femtoseconds to seconds. Molecular dynamic (MD) simulations and nuclear magnetic resonance (NMR) spin relaxation measurements are valuable tools to gain access to fast (nanosecond) internal motions. However, there exist few reports on correlation analysis between MD and NMR relaxation data. Here, backbone relaxation measurements of {sup 15}N-labeled SH3 (Src homology 3) domain proteins in aqueous buffer were used to generate general order parameters (S{sup 2}) using a model-free approach. Simultaneously, 80 ns MD simulations of SH3 domain proteins in amore » defined hydrated box at neutral pH were conducted and the general order parameters (S{sup 2}) were derived from the MD trajectory. Correlation analysis using the Gromos force field indicated that S{sup 2} values from NMR relaxation measurements and MD simulations were significantly different. MD simulations were performed on models with different charge states for three histidine residues, and with different water models, which were SPC (simple point charge) water model and SPC/E (extended simple point charge) water model. S{sup 2} parameters from MD simulations with charges for all three histidines and with the SPC/E water model correlated well with S{sup 2} calculated from the experimental NMR relaxation measurements, in a site-specific manner. - Highlights: • Correlation analysis between NMR relaxation measurements and MD simulations. • General order parameter (S{sup 2}) as common reference between the two methods. • Different protein dynamics with different Histidine charge states in neutral pH. • Different protein dynamics with different water models.« less

The analysis of control trajectories using symbolic and database computing

NASA Technical Reports Server (NTRS)

Grossman, Robert

1995-01-01

This final report comprises the formal semi-annual status reports for this grant for the periods June 30-December 31, 1993, January 1-June 30, 1994, and June 1-December 31, 1994. The research supported by this grant is broadly concerned with the symbolic computation, mixed numeric-symbolic computation, and database computation of trajectories of dynamical systems, especially control systems. A review of work during the report period covers: trajectories and approximating series, the Cayley algebra of trees, actions of differential operators, geometrically stable integration algorithms, hybrid systems, trajectory stores, PTool, and other activities. A list of publications written during the report period is attached.

The AINTEGUMENTA genes, MdANT1 and MdANT2, are associated with the regulation of cell production during fruit growth in apple (Malus × domestica Borkh.).

PubMed

Dash, Madhumita; Malladi, Anish

2012-06-25

Fruit growth in apple (Malus × domestica Borkh.) is mediated by cell production and expansion. Genes involved in regulating these processes and thereby fruit growth, are not well characterized. We hypothesized that the apple homolog(s) of AINTEGUMENTA (ANT), an APETALA2-repeat containing transcription factor, regulates cell production during fruit growth in apple. Two ANT genes, MdANT1 and MdANT2, were isolated from apple and their expression was studied during multiple stages of fruit development. MdANT1 and MdANT2 expression was high during early fruit growth coincident with the period of cell production, rapidly declined during exit from cell production, and remained low during the rest of fruit development. The effects of increase in carbohydrate availability during fruit growth were characterized. Increase in carbohydrate availability enhanced fruit growth largely through an increase in cell production. Expression of MdANT1 and MdANT2 increased sharply by up to around 5-fold in response to an increase in carbohydrate availability. Expression of the ANT genes was compared across two apple genotypes, 'Gala' and 'Golden Delicious Smoothee' (GS), which differ in the extent of fruit growth, largely due to differences in cell production. In comparison to 'Gala', the larger fruit-size genotype, GS, displayed higher levels and a longer duration of MdANT1 and MdANT2 expression. Expression of the ANTs and cell cycle genes in the fruit core and cortex tissues isolated using laser capture microdissection was studied. During early fruit growth, expression of the MdANTs was higher within the cortex, the tissue that constitutes the majority of the fruit. Additionally, MdANT1 and MdANT2 expression was positively correlated with that of A- and B-type CYCLINS, B-type CYCLIN-DEPENDENT-KINASES (CDKBs) and MdDEL1. Multiple lines of evidence from this study suggest that MdANT1 and MdANT2 regulate cell production during fruit growth in apple. ANTs may coordinate the expression of

Trajectories of Marital Conflict Across the Life Course: Predictors and Interactions With Marital Happiness Trajectories

PubMed Central

Kamp Dush, Claire M.; Taylor, Miles G.

2011-01-01

Using typologies outlined by Gottman and Fitzpatrick as well as institutional and companionate models of marriage, the authors conducted a latent class analysis of marital conflict trajectories using 20 years of data from the Marital Instability Over the Life Course study. Respondents were in one of three groups: high, medium (around the mean), or low conflict. Several factors predicted conflict trajectory group membership; respondents who believed in lifelong marriage and shared decisions equally with their spouse were more likely to report low and less likely to report high conflict. The conflict trajectories were intersected with marital happiness trajectories to examine predictors of high and low quality marriages. A stronger belief in lifelong marriage, shared decision making, and husbands sharing a greater proportion of housework were associated with an increased likelihood of membership in a high happiness, low conflict marriage, and a decreased likelihood of a low marital happiness group. PMID:22328798

Survey of optimization techniques for nonlinear spacecraft trajectory searches

NASA Technical Reports Server (NTRS)

Wang, Tseng-Chan; Stanford, Richard H.; Sunseri, Richard F.; Breckheimer, Peter J.

1988-01-01

Mathematical analysis of the optimal search of a nonlinear spacecraft trajectory to arrive at a set of desired targets is presented. A high precision integrated trajectory program and several optimization software libraries are used to search for a converged nonlinear spacecraft trajectory. Several examples for the Galileo Jupiter Orbiter and the Ocean Topography Experiment (TOPEX) are presented that illustrate a variety of the optimization methods used in nonlinear spacecraft trajectory searches.

Structural variations of single and tandem mismatches in RNA duplexes: a joint MD simulation and crystal structure database analysis.

PubMed

Halder, Sukanya; Bhattacharyya, Dhananjay

2012-10-04

Internal loops within RNA duplex regions are formed by single or tandem basepairing mismatches with flanking canonical Watson-Crick basepairs on both sides. They are the most common motif observed in RNA secondary structures and play integral functional and structural roles. In this report, we have studied the structural features of 1 × 1, 2 × 2, and 3 × 3 internal loops using all-atom molecular dynamics (MD) simulation technique with explicit solvent model. As MD simulation is intricately dependent on the choice of force-field and these are often rather approximate, we have used both the most popular force-fields for nucleic acids-CHARMM27 and AMBER94-for a comparative analysis. We find that tandem noncanonical basepairs forming 2 × 2 and 3 × 3 internal loops are considerably more stable than the single mismatches forming 1 × 1 internal loops, irrespective of the force field. We have also analyzed crystal structure database to study the conservation of these helical fragments in the corresponding sets of RNA structures. We observe that the nature of stability in MD simulations mimic their fluctuating natures in crystal data sets also, probably indicating reliable natures of both the force fields to reproduce experimental results. We also notice significant structural changes in the wobble G:U basepairs present in these double helical stretches, leading to a biphasic stability for these wobble pairs to release the deformational strains introduced by internal loops within duplex regions.

Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations.

PubMed

Heidari, Zahra; Roe, Daniel R; Galindo-Murillo, Rodrigo; Ghasemi, Jahan B; Cheatham, Thomas E

2016-07-25

Long time scale molecular dynamics (MD) simulations of biological systems are becoming increasingly commonplace due to the availability of both large-scale computational resources and significant advances in the underlying simulation methodologies. Therefore, it is useful to investigate and develop data mining and analysis techniques to quickly and efficiently extract the biologically relevant information from the incredible amount of generated data. Wavelet analysis (WA) is a technique that can quickly reveal significant motions during an MD simulation. Here, the application of WA on well-converged long time scale (tens of μs) simulations of a DNA helix is described. We show how WA combined with a simple clustering method can be used to identify both the physical and temporal locations of events with significant motion in MD trajectories. We also show that WA can not only distinguish and quantify the locations and time scales of significant motions, but by changing the maximum time scale of WA a more complete characterization of these motions can be obtained. This allows motions of different time scales to be identified or ignored as desired.

Creating drag and lift curves from soccer trajectories

NASA Astrophysics Data System (ADS)

Goff, John Eric; Kelley, John; Hobson, Chad M.; Seo, Kazuya; Asai, Takeshi; Choppin, S. B.

2017-07-01

Trajectory analysis is an alternative to using wind tunnels to measure a soccer ball’s aerodynamic properties. It has advantages over wind tunnel testing such as being more representative of game play. However, previous work has not presented a method that produces complete, speed-dependent drag and lift coefficients. Four high-speed cameras in stereo-calibrated pairs were used to measure the spatial co-ordinates for 29 separate soccer trajectories. Those trajectories span a range of launch speeds from 9.3 to 29.9 m s-1. That range encompasses low-speed laminar flow of air over a soccer ball, through the drag crises where air flow is both laminar and turbulent, and up to high-speed turbulent air flow. Results from trajectory analysis were combined to give speed-dependent drag and lift coefficient curves for the entire range of speeds found in the 29 trajectories. The average root mean square error between the measured and modelled trajectory was 0.028 m horizontally and 0.034 m vertically. The drag and lift crises can be observed in the plots of drag and lift coefficients respectively.

A CIPK protein kinase targets sucrose transporter MdSUT2.2 at Ser254 for phosphorylation to enhance salt tolerance.

PubMed

Ma, Qi-Jun; Sun, Mei-Hong; Kang, Hui; Lu, Jing; You, Chun-Xiang; Hao, Yu-Jin

2018-05-23

Soil salinity is one of the major abiotic stressors that negatively affect crop growth and yield. Salt stress can regulate antioxidants and the accumulation of osmoprotectants. In the study, a sucrose transporter MdSUT2.2 was identified in apple. Overexpression of MdSUT2.2 gene increased salt tolerance in the transgenic apple, compared with the WT control 'Gala'. In addition, it was found that protein MdSUT2.2 was phosphorylated at Ser 254 site in response to salt. A DUAL membrane yeast hybridization system through an apple cDNA library demonstrated that a protein kinase MdCIPK13 interacted with MdSUT2.2. A series of transgenic analysis in apple calli showed that MdCIPK13 was required for the salt-induced phosphorylation of MdSUT2.2 protein and enhanced its stability and transport activity. Finally, it was found that MdCIPK13 improved salt resistance in an MdSUT2.2-dependent manner. These findings had enriched our understanding of the molecular mechanisms underlying abiotic stress. This article is protected by copyright. All rights reserved.

Application of principal component analysis in protein unfolding: an all-atom molecular dynamics simulation study.

PubMed

Das, Atanu; Mukhopadhyay, Chaitali

2007-10-28

We have performed molecular dynamics (MD) simulation of the thermal denaturation of one protein and one peptide-ubiquitin and melittin. To identify the correlation in dynamics among various secondary structural fragments and also the individual contribution of different residues towards thermal unfolding, principal component analysis method was applied in order to give a new insight to protein dynamics by analyzing the contribution of coefficients of principal components. The cross-correlation matrix obtained from MD simulation trajectory provided important information regarding the anisotropy of backbone dynamics that leads to unfolding. Unfolding of ubiquitin was found to be a three-state process, while that of melittin, though smaller and mostly helical, is more complicated.

Application of principal component analysis in protein unfolding: An all-atom molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Das, Atanu; Mukhopadhyay, Chaitali

2007-10-01

We have performed molecular dynamics (MD) simulation of the thermal denaturation of one protein and one peptide—ubiquitin and melittin. To identify the correlation in dynamics among various secondary structural fragments and also the individual contribution of different residues towards thermal unfolding, principal component analysis method was applied in order to give a new insight to protein dynamics by analyzing the contribution of coefficients of principal components. The cross-correlation matrix obtained from MD simulation trajectory provided important information regarding the anisotropy of backbone dynamics that leads to unfolding. Unfolding of ubiquitin was found to be a three-state process, while that of melittin, though smaller and mostly helical, is more complicated.

The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules.

PubMed

Luginbühl, P; Güntert, P; Billeter, M; Wüthrich, K

1996-09-01

A new program for molecular dynamics (MD) simulation and energy refinement of biological macromolecules, OPAL, is introduced. Combined with the supporting program TRAJEC for the analysis of MD trajectories, OPAL affords high efficiency and flexibility for work with different force fields, and offers a user-friendly interface and extensive trajectory analysis capabilities. Salient features are computational speeds of up to 1.5 GFlops on vector supercomputers such as the NEC SX-3, ellipsoidal boundaries to reduce the system size for studies in explicit solvents, and natural treatment of the hydrostatic pressure. Practical applications of OPAL are illustrated with MD simulations of pure water, energy minimization of the NMR structure of the mixed disulfide of a mutant E. coli glutaredoxin with glutathione in different solvent models, and MD simulations of a small protein, pheromone Er-2, using either instantaneous or time-averaged NMR restraints, or no restraints.

Hyper-X Stage Separation Trajectory Validation Studies

NASA Technical Reports Server (NTRS)

Tartabini, Paul V.; Bose, David M.; McMinn, John D.; Martin, John G.; Strovers, Brian K.

2003-01-01

An independent twelve degree-of-freedom simulation of the X-43A separation trajectory was created with the Program to Optimize Simulated trajectories (POST II). This simulation modeled the multi-body dynamics of the X-43A and its booster and included the effect of two pyrotechnically actuated pistons used to push the vehicles apart as well as aerodynamic interaction forces and moments between the two vehicles. The simulation was developed to validate trajectory studies conducted with a 14 degree-of-freedom simulation created early in the program using the Automatic Dynamic Analysis of Mechanics Systems (ADAMS) simulation software. The POST simulation was less detailed than the official ADAMS-based simulation used by the Project, but was simpler, more concise and ran faster, while providing similar results. The increase in speed provided by the POST simulation provided the Project with an alternate analysis tool. This tool was ideal for performing separation control logic trade studies that required the running of numerous Monte Carlo trajectories.

Water at silica/liquid water interfaces investigated by DFT-MD simulations

NASA Astrophysics Data System (ADS)

Gaigeot, Marie-Pierre

This talk is dedicated to probing the microscopic structural organization of water at silica/liquid water interfaces including electrolytes by first principles DFT-based molecular dynamics simulations (DFT-MD). We will present our very recent DFT-MD simulations of electrolytic (KCl, NaCl, NaI) silica/liquid water interfaces in order to unravel the intertwined structural properties of water and electrolytes at the crystalline quartz/liquid water and amorphous silica/liquid water interfaces. DFT-MD simulations provide direct knowledge of the structural organization of water and the H-Bond network formed between the water molecules within the different water layers above the silica surface. One can furthermore extract vibrational signatures of the water molecules within the interfacial layers from the DFT-MD simulations, especially non-linear SFG (Sum Frequency generation) signatures that are active at solid/liquid interfaces. The strength of the simulated spectra is that a detailed analysis of the signatures in terms of the water/water H-Bond networks formed within the interfacial water layers and in terms of the water/silica or water/electrolytes H-Bond networks can be given. Comparisons of SFG spectra between quartz/water/electrolytes and amorphous silica/water/electrolytes interfaces allow us to definitely conclude on how the structural arrangements of liquid water at these electrolytic interfaces modulate the final spectroscopic signatures. Invited speaker.

Convergence analysis of sliding mode trajectories in multi-objective neural networks learning.

PubMed

Costa, Marcelo Azevedo; Braga, Antonio Padua; de Menezes, Benjamin Rodrigues

2012-09-01

The Pareto-optimality concept is used in this paper in order to represent a constrained set of solutions that are able to trade-off the two main objective functions involved in neural networks supervised learning: data-set error and network complexity. The neural network is described as a dynamic system having error and complexity as its state variables and learning is presented as a process of controlling a learning trajectory in the resulting state space. In order to control the trajectories, sliding mode dynamics is imposed to the network. It is shown that arbitrary learning trajectories can be achieved by maintaining the sliding mode gains within their convergence intervals. Formal proofs of convergence conditions are therefore presented. The concept of trajectory learning presented in this paper goes further beyond the selection of a final state in the Pareto set, since it can be reached through different trajectories and states in the trajectory can be assessed individually against an additional objective function. Copyright © 2012 Elsevier Ltd. All rights reserved.

The AINTEGUMENTA genes, MdANT1 and MdANT2, are associated with the regulation of cell production during fruit growth in apple (Malus × domestica Borkh.)

PubMed Central

2012-01-01

Background Fruit growth in apple (Malus × domestica Borkh.) is mediated by cell production and expansion. Genes involved in regulating these processes and thereby fruit growth, are not well characterized. We hypothesized that the apple homolog(s) of AINTEGUMENTA (ANT), an APETALA2–repeat containing transcription factor, regulates cell production during fruit growth in apple. Results Two ANT genes, MdANT1 and MdANT2, were isolated from apple and their expression was studied during multiple stages of fruit development. MdANT1 and MdANT2 expression was high during early fruit growth coincident with the period of cell production, rapidly declined during exit from cell production, and remained low during the rest of fruit development. The effects of increase in carbohydrate availability during fruit growth were characterized. Increase in carbohydrate availability enhanced fruit growth largely through an increase in cell production. Expression of MdANT1 and MdANT2 increased sharply by up to around 5-fold in response to an increase in carbohydrate availability. Expression of the ANT genes was compared across two apple genotypes, ‘Gala’ and ‘Golden Delicious Smoothee’ (GS), which differ in the extent of fruit growth, largely due to differences in cell production. In comparison to ‘Gala’, the larger fruit-size genotype, GS, displayed higher levels and a longer duration of MdANT1 and MdANT2 expression. Expression of the ANTs and cell cycle genes in the fruit core and cortex tissues isolated using laser capture microdissection was studied. During early fruit growth, expression of the MdANTs was higher within the cortex, the tissue that constitutes the majority of the fruit. Additionally, MdANT1 and MdANT2 expression was positively correlated with that of A- and B-type CYCLINS, B-type CYCLIN-DEPENDENT-KINASES (CDKBs) and MdDEL1. Conclusions Multiple lines of evidence from this study suggest that MdANT1 and MdANT2 regulate cell production during fruit growth in

A special protection scheme utilizing trajectory sensitivity analysis in power transmission

NASA Astrophysics Data System (ADS)

Suriyamongkol, Dan

In recent years, new measurement techniques have provided opportunities to improve the North American Power System observability, control and protection. This dissertation discusses the formulation and design of a special protection scheme based on a novel utilization of trajectory sensitivity techniques with inputs consisting of system state variables and parameters. Trajectory sensitivity analysis (TSA) has been used in previous publications as a method for power system security and stability assessment, and the mathematical formulation of TSA lends itself well to some of the time domain power system simulation techniques. Existing special protection schemes often have limited sets of goals and control actions. The proposed scheme aims to maintain stability while using as many control actions as possible. The approach here will use the TSA in a novel way by using the sensitivities of system state variables with respect to state parameter variations to determine the state parameter controls required to achieve the desired state variable movements. The initial application will operate based on the assumption that the modeled power system has full system observability, and practical considerations will be discussed.

Remains of abutments for Bridge No. 1575 at MD Rt. ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Remains of abutments for Bridge No. 1575 at MD Rt. 51 in Spring Gap, Maryland, looking northeast. (Compare with HAER MD-115 photos taken 1988). - Western Maryland Railway, Cumberland Extension, Pearre to North Branch, from WM milepost 125 to 160, Pearre, Washington County, MD

Apple MdACS6 Regulates Ethylene Biosynthesis During Fruit Development Involving Ethylene-Responsive Factor.

PubMed

Li, Tong; Tan, Dongmei; Liu, Zhi; Jiang, Zhongyu; Wei, Yun; Zhang, Lichao; Li, Xinyue; Yuan, Hui; Wang, Aide

2015-10-01

Ethylene biosynthesis in plants involves different 1-aminocyclopropane-1-carboxylic acid synthase (ACS) genes. The regulation of each ACS gene during fruit development is unclear. Here, we characterized another apple (Malus×domestica) ACS gene, MdACS6. The transcript of MdACS6 was observed not only in fruits but also in other tissues. During fruit development, MdACS6 was initiated at a much earlier stage, whereas MdACS3a and MdACS1 began to be expressed at 35 d before harvest and immediateley after harvest, respectively. Moreover, the enzyme activity of MdACS6 was significantly lower than that of MdACS3a and MdACS1, accounting for the low ethylene biosynthesis in young fruits. Overexpression of MdACS6 (MdACS6-OE) by transient assay in apple showed enhanced ethylene production, and MdACS3a was induced in MdACS6-OE fruits but not in control fruits. In MdACS6 apple fruits silenced by the virus-induced gene silencing (VIGS) system (MdACS6-AN), neither ethylene production nor MdACS3a transcript was detectable. In order to explore the mechanism through which MdACS3a was induced in MdACS6-OE fruits, we investigated the expression of apple ethylene-responsive factor (ERF) genes. The results showed that the expression of MdERF2 was induced in MdACS6-OE fruits and inhibited in MdACS6-AN fruits. Yeast one-hybrid assay showed that MdERF2 protein could bind to the promoter of MdACS3a. Moreover, down-regulation of MdERF2 in apple flesh callus led to a decrease of MdACS3a expression, demonstrating the regulation of MdERF2 on MdACS3a. The mechanism through which MdACS6 regulates the action of MdACS3a was discussed. © The Author 2015. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Analysis of Probabilistic Orbital Evolution of the Asteroids 2011 CQ1 and 2011 MD

NASA Astrophysics Data System (ADS)

Sambarov, G. E.; Syusina, O. M.

2018-06-01

The orbital evolution of asteroids 2011 CQ1 and 2011 MD approaching to the Earth is investigated. The influence of perturbing forces on the accuracy of constructing the regions of their possible motions is investigated.

Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis.

PubMed

Park, In-Hee; Venable, John D; Steckler, Caitlin; Cellitti, Susan E; Lesley, Scott A; Spraggon, Glen; Brock, Ansgar

2015-09-28

Hydrogen exchange (HX) studies have provided critical insight into our understanding of protein folding, structure, and dynamics. More recently, hydrogen exchange mass spectrometry (HX-MS) has become a widely applicable tool for HX studies. The interpretation of the wealth of data generated by HX-MS experiments as well as other HX methods would greatly benefit from the availability of exchange predictions derived from structures or models for comparison with experiment. Most reported computational HX modeling studies have employed solvent-accessible-surface-area based metrics in attempts to interpret HX data on the basis of structures or models. In this study, a computational HX-MS prediction method based on classification of the amide hydrogen bonding modes mimicking the local unfolding model is demonstrated. Analysis of the NH bonding configurations from molecular dynamics (MD) simulation snapshots is used to determine partitioning over bonded and nonbonded NH states and is directly mapped into a protection factor (PF) using a logistics growth function. Predicted PFs are then used for calculating deuteration values of peptides and compared with experimental data. Hydrogen exchange MS data for fatty acid synthase thioesterase (FAS-TE) collected for a range of pHs and temperatures was used for detailed evaluation of the approach. High correlation between prediction and experiment for observable fragment peptides is observed in the FAS-TE and additional benchmarking systems that included various apo/holo proteins for which literature data were available. In addition, it is shown that HX modeling can improve experimental resolution through decomposition of in-exchange curves into rate classes, which correlate with prediction from MD. Successful rate class decompositions provide further evidence that the presented approach captures the underlying physical processes correctly at the single residue level. This assessment is further strengthened in a comparison of

Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis

PubMed Central

Park, In-Hee; Venable, John D.; Steckler, Caitlin; Cellitti, Susan E.; Lesley, Scott A.; Spraggon, Glen; Brock, Ansgar

2015-01-01

Hydrogen exchange (HX) studies have provided critical insight into our understanding of protein folding, structure and dynamics. More recently, Hydrogen Exchange Mass Spectrometry (HX-MS) has become a widely applicable tool for HX studies. The interpretation of the wealth of data generated by HX-MS experiments as well as other HX methods would greatly benefit from the availability of exchange predictions derived from structures or models for comparison with experiment. Most reported computational HX modeling studies have employed solvent-accessible-surface-area based metrics in attempts to interpret HX data on the basis of structures or models. In this study, a computational HX-MS prediction method based on classification of the amide hydrogen bonding modes mimicking the local unfolding model is demonstrated. Analysis of the NH bonding configurations from Molecular Dynamics (MD) simulation snapshots is used to determine partitioning over bonded and non-bonded NH states and is directly mapped into a protection factor (PF) using a logistics growth function. Predicted PFs are then used for calculating deuteration values of peptides and compared with experimental data. Hydrogen exchange MS data for Fatty acid synthase thioesterase (FAS-TE) collected for a range of pHs and temperatures was used for detailed evaluation of the approach. High correlation between prediction and experiment for observable fragment peptides is observed in the FAS-TE and additional benchmarking systems that included various apo/holo proteins for which literature data were available. In addition, it is shown that HX modeling can improve experimental resolution through decomposition of in-exchange curves into rate classes, which correlate with prediction from MD. Successful rate class decompositions provide further evidence that the presented approach captures the underlying physical processes correctly at the single residue level. This assessment is further strengthened in a comparison of

76 FR 51424 - Satinder Dang, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-18

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 10-4] Satinder Dang, M.D... Control, Drug Enforcement Administration, issued an Order to Show Cause to Satinder K. Dang, M.D....'' Id. (citing Harrell E. Robinson, M.D., 74 FR 61370, 61376-77 (2010)). The ALJ also found that...

77 FR 67673 - Fernando Valle, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-13

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 12-56] Fernando Valle, M.D... Certificate of Registration Numbers FV1935595, FV2000711, and FV2000735, issued to Fernando Valle, M.D., be, and they hereby are, revoked. I further order that any pending applications of Fernando Valle, M.D...

Air-breathing hypersonic vehicle guidance and control studies; An integrated trajectory/control analysis methodology: Phase 1

NASA Technical Reports Server (NTRS)

Hattis, Philip D.; Malchow, Harvey L.

1991-01-01

A tool which generates optimal trajectory/control histories in an integrated manner is generically adapted to the treatment of single-stage-to-orbit air-breathing hypersonic vehicles. The methodology is implemented as a two point boundary value problem solution technique. Its use permits an assessment of an entire near-minimum-fuel trajectory and desired control strategy from takeoff to orbit while satisfying physically derived inequality constraints and while achieving efficient propulsive mode phasing. A simpler analysis strategy that partitions the trajectory into several boundary condition matched segments is also included to construct preliminary trajectory and control history representations with less computational burden than is required for the overall flight profile assessment. A demonstration was accomplished using a tabulated example (winged-cone accelerator) vehicle model that is combined with a newly developed multidimensional cubic spline data smoothing routine. A constrained near-fuel-optimal trajectory, imposing a dynamic pressure limit of 1000 psf, was developed from horizontal takeoff to 20,000 ft/sec relative air speed while aiming for a polar orbit. Previously unspecified propulsive discontinuities were located. Flight regimes demanding rapid attitude changes were identified, dictating control effector and closed-loop controller authority was ascertained after evaluating effector use for vehicle trim. Also, inadequacies in vehicle model representations and specific subsystem models with insufficient fidelity were determined based on unusual control characteristics and/or excessive sensitivity to uncertainty.

78 FR 7813 - Sanjay Trivedi, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-04

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 12-57] Sanjay Trivedi, M.D....100(b), I order that DEA Certificate of Registration FT0896754, issued to Sanjay Trivedi, M.D., be, and it hereby is, revoked. I further order that any pending application of Sanjay Trivedi, M.D., to...

Accuracy and Repeatability of Trajectory Rod Measurement Using Laser Scanners.

PubMed

Liscio, Eugene; Guryn, Helen; Stoewner, Daniella

2017-12-22

Three-dimensional (3D) technologies contribute greatly to bullet trajectory analysis and shooting reconstruction. There are few papers which address the errors associated with utilizing laser scanning for bullet trajectory documentation. This study examined the accuracy and precision of laser scanning for documenting trajectory rods in drywall for angles between 25° and 90°. The inherent error range of 0.02°-2.10° was noted while the overall error for laser scanning ranged between 0.04° and 1.98°. The inter- and intraobserver errors for trajectory rod placement and virtual trajectory marking showed that the range of variation for rod placement was between 0.1°-1° in drywall and 0.05°-0.5° in plywood. Virtual trajectory marking accuracy tests showed that 75% of data values were below 0.91° and 0.61° on azimuth and vertical angles, respectively. In conclusion, many contributing factors affect bullet trajectory analysis, and the use of 3D technologies can aid in reduction of errors associated with documentation. © 2017 American Academy of Forensic Sciences.

Functional identification of MdSIZ1 as a SUMO E3 ligase in apple.

PubMed

Zhang, Rui-Fen; Guo, Ying; Li, Yuan-Yuan; Zhou, Li-Jie; Hao, Yu-Jin; You, Chun-Xiang

2016-07-01

SUMOylation, the conjugation of target proteins with SUMO (small ubiquitin-related modifier), is a type of post-translational modification in eukaryotes and involves the sequential action of activation (E1), conjugation (E2) and ligation (E3) enzymes. In Arabidopsis, the AtSIZ1 protein is a SUMO E3 ligase that promotes the conjugation of SUMO proteins to target substrates. Here, we isolated and identified a SUMO E3 ligase, MdSIZ1, in apple, which was similar to AtSIZ1. SUMOylation analysis showed that MdSIZ1 had SUMO E3 ligase activity in vitro and in vivo. SUMO conjugation was increased by high temperatures, low temperatures, and abscisic acid (ABA). The ectopic expression of MdSIZ1 in Arabidopsis siz1-2 mutant plants partially complemented the morphological mutant phenotype and enhanced the levels of SUMO conjugation. Taken together, these results suggest that MdSIZ1-mediated SUMO conjugation of target proteins is an important process that regulates the adaptation of apple plants to various environmental stresses. Copyright © 2016 Elsevier GmbH. All rights reserved.

Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis

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

Peterson, Elena S.; Stephan, Eric G.; Corrigan, Abigail L.

2008-07-30

As computational resources continue to increase, the ability of computational simulations to effectively complement, and in some cases replace, experimentation in scientific exploration also increases. Today, large-scale simulations are recognized as an effective tool for scientific exploration in many disciplines including chemistry and biology. A natural side effect of this trend has been the need for an increasingly complex analytical environment. In this paper, we describe Northwest Trajectory Analysis Capability (NTRAC), an analytical software suite developed to enhance the efficiency of computational biophysics analyses. Our strategy is to layer higher-level services and introduce improved tools within the user’s familiar environmentmore » without preventing researchers from using traditional tools and methods. Our desire is to share these experiences to serve as an example for effectively analyzing data intensive large scale simulation data.« less

MIDAS - Mission design and analysis software for the optimization of ballistic interplanetary trajectories

NASA Technical Reports Server (NTRS)

Sauer, Carl G., Jr.

1989-01-01

A patched conic trajectory optimization program MIDAS is described that was developed to investigate a wide variety of complex ballistic heliocentric transfer trajectories. MIDAS includes the capability of optimizing trajectory event times such as departure date, arrival date, and intermediate planetary flyby dates and is able to both add and delete deep space maneuvers when dictated by the optimization process. Both powered and unpowered flyby or gravity assist trajectories of intermediate bodies can be handled and capability is included to optimize trajectories having a rendezvous with an intermediate body such as for a sample return mission. Capability is included in the optimization process to constrain launch energy and launch vehicle parking orbit parameters.

Space shuttle engineering and operations support. ALT separation reference trajectories for tailcone on orbiter forward and aft CG configurations. Mission planning, mission analysis and software formulation

NASA Technical Reports Server (NTRS)

Glenn, G. M.

1977-01-01

A preflight analysis of the ALT separation reference trajectories for the tailcone on, forward, and aft cg orbiter configurations is documented. The ALT separation reference trajectories encompass the time from physical separation of the orbiter from the carrier to orbiter attainment of the maximum ALT interface airspeed. The trajectories include post separation roll maneuvers by both vehicles and are generated using the final preflight data base. The trajectories so generated satisfy all known separation design criteria and violate no known constraints. The requirement for this analysis is given along with the specifications, assumptions, and analytical approach used to generate the separation trajectories. The results of the analytical approach are evaluated, and conclusions and recommendations are summarized.

75 FR 80744 - Airworthiness Directives; McDonnell Douglas Corporation Model DC-9-81 (MD-81), DC-9-82 (MD-82...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-23

...: We propose to adopt a new airworthiness directive (AD) for all Model DC-9-81 (MD-81), DC-9-82 (MD-82... inspections for cracking of the left and right upper center skin panels of the horizontal stabilizer, and..., West Building Ground Floor, Room W12-140, 1200 New Jersey Avenue, SE., Washington, DC 20590. Hand...

Assessing the allelotypic effect of two aminocyclopropane carboxylic acid synthase-encoding genes MdACS1 and MdACS3a on fruit ethylene production and softening in Malus

PubMed Central

Dougherty, Laura; Zhu, Yuandi; Xu, Kenong

2016-01-01

Phytohormone ethylene largely determines apple fruit shelf life and storability. Previous studies demonstrated that MdACS1 and MdACS3a, which encode 1-aminocyclopropane-1-carboxylic acid synthases (ACS), are crucial in apple fruit ethylene production. MdACS1 is well-known to be intimately involved in the climacteric ethylene burst in fruit ripening, while MdACS3a has been regarded a main regulator for ethylene production transition from system 1 (during fruit development) to system 2 (during fruit ripening). However, MdACS3a was also shown to have limited roles in initiating the ripening process lately. To better assess their roles, fruit ethylene production and softening were evaluated at five time points during a 20-day post-harvest period in 97 Malus accessions and in 34 progeny from 2 controlled crosses. Allelotyping was accomplished using an existing marker (ACS1) for MdACS1 and two markers (CAPS866 and CAPS870) developed here to specifically detect the two null alleles (ACS3a-G289V and Mdacs3a) of MdACS3a. In total, 952 Malus accessions were allelotyped with the three markers. The major findings included: The effect of MdACS1 was significant on fruit ethylene production and softening while that of MdACS3a was less detectable; allele MdACS1–2 was significantly associated with low ethylene and slow softening; under the same background of the MdACS1 allelotypes, null allele Mdacs3a (not ACS3a-G289V) could confer a significant delay of ethylene peak; alleles MdACS1–2 and Mdacs3a (excluding ACS3a-G289V) were highly enriched in M. domestica and M. hybrid when compared with those in M. sieversii. These findings are of practical implications in developing apples of low and delayed ethylene profiles by utilizing the beneficial alleles MdACS1-2 and Mdacs3a. PMID:27231553

Trajectory analyses of sickness absence among industrial and municipal employees.

PubMed

Virtanen, P; Siukola, A; Lipiäinen, L; Liukkonen, V; Pentti, J; Vahtera, J

2017-03-01

Compared with the public sector, the private sector is more susceptible to changes in the economic environment and associated threats of downsizing, outsourcing and transfers of production. This might be assumed to be associated with more restrictive sickness absence practices. To investigate whether this difference is reflected in higher sickness absence rates in the public sector and to explore the potential of trajectory analysis in researching such absences. The sample consisted of industrial and municipal employees. Latent groups of differential sickness absence during a 6-year study period were searched with a two-response trajectory analysis that jointly captured the spells and the days. Multinomial logistic regressions were used to assess associations of the labour market sector with the set of trajectories obtained. There were 2207 industrial and 3477 municipal employees in the study group. The analysis assigned the employees to three trajectory groups, the 'low-level', 'middle-range' and 'high-range' groups. The relative risk ratios for the middle-range and the high-range trajectories of public sector employees were not higher after controlling for age, gender and occupational. In this study, the labour market sector was not a major independent determinant of sickness absence practices. Trajectory analysis can be recommended as a way to determine differential absence practices. The trajectory approach might help occupational health services to identify more accurately the employees who need support to maintain their work ability. © The Author 2016. Published by Oxford University Press on behalf of the Society of Occupational Medicine. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Trajectories of acute low back pain: a latent class growth analysis.

PubMed

Downie, Aron S; Hancock, Mark J; Rzewuska, Magdalena; Williams, Christopher M; Lin, Chung-Wei Christine; Maher, Christopher G

2016-01-01

Characterising the clinical course of back pain by mean pain scores over time may not adequately reflect the complexity of the clinical course of acute low back pain. We analysed pain scores over 12 weeks for 1585 patients with acute low back pain presenting to primary care to identify distinct pain trajectory groups and baseline patient characteristics associated with membership of each cluster. This was a secondary analysis of the PACE trial that evaluated paracetamol for acute low back pain. Latent class growth analysis determined a 5 cluster model, which comprised 567 (35.8%) patients who recovered by week 2 (cluster 1, rapid pain recovery); 543 (34.3%) patients who recovered by week 12 (cluster 2, pain recovery by week 12); 222 (14.0%) patients whose pain reduced but did not recover (cluster 3, incomplete pain recovery); 167 (10.5%) patients whose pain initially decreased but then increased by week 12 (cluster 4, fluctuating pain); and 86 (5.4%) patients who experienced high-level pain for the whole 12 weeks (cluster 5, persistent high pain). Patients with longer pain duration were more likely to experience delayed recovery or nonrecovery. Belief in greater risk of persistence was associated with nonrecovery, but not delayed recovery. Higher pain intensity, longer duration, and workers' compensation were associated with persistent high pain, whereas older age and increased number of episodes were associated with fluctuating pain. Identification of discrete pain trajectory groups offers the potential to better manage acute low back pain.

MD-11 PCA - Research flight team photo

NASA Technical Reports Server (NTRS)

1995-01-01

On Aug. 30, 1995, a the McDonnell Douglas MD-11 transport aircraft landed equipped with a computer-assisted engine control system that has the potential to increase flight safety. In landings at NASA Dryden Flight Research Center, Edwards, California, on August 29 and 30, the aircraft demonstrated software used in the aircraft's flight control computer that essentially landed the MD-11 without a need for the pilot to manipulate the flight controls significantly. In partnership with McDonnell Douglas Aerospace (MDA), with Pratt & Whitney and Honeywell helping to design the software, NASA developed this propulsion-controlled aircraft (PCA) system following a series of incidents in which hydraulic failures resulted in the loss of flight controls. This new system enables a pilot to operate and land the aircraft safely when its normal, hydraulically-activated control surfaces are disabled. This August 29, 1995, photo shows the MD-11 team. Back row, left to right: Tim Dingen, MDA pilot; John Miller, MD-11 Chief pilot (MDA); Wayne Anselmo, MD-11 Flight Test Engineer (MDA); Gordon Fullerton, PCA Project pilot; Bill Burcham, PCA Chief Engineer; Rudey Duran, PCA Controls Engineer (MDA); John Feather, PCA Controls Engineer (MDA); Daryl Townsend, Crew Chief; Henry Hernandez, aircraft mechanic; Bob Baron, PCA Project Manager; Don Hermann, aircraft mechanic; Jerry Cousins, aircraft mechanic; Eric Petersen, PCA Manager (Honeywell); Trindel Maine, PCA Data Engineer; Jeff Kahler, PCA Software Engineer (Honeywell); Steve Goldthorpe, PCA Controls Engineer (MDA). Front row, left to right: Teresa Hass, Senior Project Management Analyst; Hollie Allingham (Aguilera), Senior Project Management Analyst; Taher Zeglum, PCA Data Engineer (MDA); Drew Pappas, PCA Project Manager (MDA); John Burken, PCA Control Engineer.

Parallel Aircraft Trajectory Optimization with Analytic Derivatives

NASA Technical Reports Server (NTRS)

Falck, Robert D.; Gray, Justin S.; Naylor, Bret

2016-01-01

Trajectory optimization is an integral component for the design of aerospace vehicles, but emerging aircraft technologies have introduced new demands on trajectory analysis that current tools are not well suited to address. Designing aircraft with technologies such as hybrid electric propulsion and morphing wings requires consideration of the operational behavior as well as the physical design characteristics of the aircraft. The addition of operational variables can dramatically increase the number of design variables which motivates the use of gradient based optimization with analytic derivatives to solve the larger optimization problems. In this work we develop an aircraft trajectory analysis tool using a Legendre-Gauss-Lobatto based collocation scheme, providing analytic derivatives via the OpenMDAO multidisciplinary optimization framework. This collocation method uses an implicit time integration scheme that provides a high degree of sparsity and thus several potential options for parallelization. The performance of the new implementation was investigated via a series of single and multi-trajectory optimizations using a combination of parallel computing and constraint aggregation. The computational performance results show that in order to take full advantage of the sparsity in the problem it is vital to parallelize both the non-linear analysis evaluations and the derivative computations themselves. The constraint aggregation results showed a significant numerical challenge due to difficulty in achieving tight convergence tolerances. Overall, the results demonstrate the value of applying analytic derivatives to trajectory optimization problems and lay the foundation for future application of this collocation based method to the design of aircraft with where operational scheduling of technologies is key to achieving good performance.

75 FR 31835 - Environmental Impact Statement: Calvert and St. Mary's Counties, MD

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-04

...: Calvert and St. Mary's Counties, MD AGENCY: Federal Highway Administration (FHWA), DOT. ACTION: Notice of... project in Calvert and St. Mary's Counties, Maryland (Federal Register Vol. 72, No. 203; FR Doc. 07-5190... replacement of MD 4 from MD 2 to MD 235 in Calvert and St. Mary's Counties, a distance of approximately 4.1...

A novel gene, MdSSK1, as a component of the SCF complex rather than MdSBP1 can mediate the ubiquitination of S-RNase in apple.

PubMed

Yuan, Hui; Meng, Dong; Gu, Zhaoyu; Li, Wei; Wang, Aide; Yang, Qing; Zhu, Yuandi; Li, Tianzhong

2014-07-01

As a core factor in S-RNase-based gametophytic self-incompatibility (GSI), the SCF (SKP1-Cullin1-F-box-Rbx1) complex (including pollen determinant SLF, S-locus-F-box) functions as an E3 ubiquitin ligase on non-self S-RNase. The SCF complex is formed by SKP1 bridging between SLF, CUL1, and Rbx1; however, it is not known whether an SCF complex lacking SKP1 can mediate the ubiquitination of S-RNase. Three SKP1-like genes from pollen were cloned based on the structural features of the SLF-interacting-SKP1-like (SSK) gene and the 'Golden Delicious' apple genome. These genes have a motif of five amino acids following the standard 'WAFE' at the C terminal and, in addition, contain eight sheets and two helices. All three genes were expressed exclusively in pollen. In the yeast two-hybrid and pull-down assays only one was found to interact with MdSFBB and MdCUL1, suggesting it is the SLF-interacting SKP1-like gene in apple which was named MdSSK1. In vitro experiments using MdSSK1, S2-MdSFBB1 (S2-Malus domestica S-locus-F-box brother) and MdCUL1 proteins incubated with S 2-RNase and ubiquitin revealed that the SCF complex ubiquitinylates S-RNase in vitro, while MdSBP1 (Malus domestica S-RNase binding protein 1) could not functionally replace MdSSK1 in the SCF complex in ubiquitinylating S-RNase. According to the above experiments, MdSBP1 is probably the only factor responsible for recognition with S-RNase, while not a component of the SCF complex, and an SCF complex containing MdSSK1 is required for mediating the ubiquitination of S-RNase. © The Author 2014. Published by Oxford University Press on behalf of the Society for Experimental Biology.

High-fidelity gravity modeling applied to spacecraft trajectories and lunar interior analysis

NASA Astrophysics Data System (ADS)

Chappaz, Loic P. R.

As the complexity and boldness of emerging mission proposals increase, and with the rapid evolution of the available computational capabilities, high-accuracy and high-resolution gravity models and the tools to exploit such models are increasingly attractive within the context of spaceflight mechanics, mission design and analysis, and planetary science in general. First, in trajectory design applications, a gravity representation for the bodies of interest is, in general, assumed and exploited to determine the motion of a spacecraft in any given system. The focus is the exploration of trajectories in the vicinity of a system comprised of two small irregular bodies. Within this context, the primary bodies are initially modeled as massive ellipsoids and tools to construct third-body trajectories are developed. However, these dynamical models are idealized representations of the actual dynamical regime and do not account for any perturbing effects. Thus, a robust strategy to maintain a spacecraft near reference third-body trajectories is constructed. Further, it is important to assess the perturbing effect that dominates the dynamics of the spacecraft in such a region as a function of the baseline orbit. Alternatively, the motion of the spacecraft around a given body may be known to extreme precision enabling the derivation of a very high-accuracy gravity field for that body. Such knowledge can subsequently be exploited to gain insight into specific properties of the body. The success of the NASA's GRAIL mission ensures that the highest resolution and most accurate gravity data for the Moon is now available. In the GRAIL investigation, the focus is on the specific task of detecting the presence and extent of subsurface features, such as empty lava tubes beneath the mare surface. In addition to their importance for understanding the emplacement of the mare flood basalts, open lava tubes are of interest as possible habitation sites safe from cosmic radiation and

Hyper-X Post-Flight Trajectory Reconstruction

NASA Technical Reports Server (NTRS)

Karlgaard, Christopher D.; Tartabini, Paul V.; Blanchard, RobertC.; Kirsch, Michael; Toniolo, Matthew D.

2004-01-01

This paper discusses the formulation and development of a trajectory reconstruction tool for the NASA X{43A/Hyper{X high speed research vehicle, and its implementation for the reconstruction and analysis of ight test data. Extended Kalman ltering techniques are employed to reconstruct the trajectory of the vehicle, based upon numerical integration of inertial measurement data along with redundant measurements of the vehicle state. The equations of motion are formulated in order to include the effects of several systematic error sources, whose values may also be estimated by the ltering routines. Additionally, smoothing algorithms have been implemented in which the nal value of the state (or an augmented state that includes other systematic error parameters to be estimated) and covariance are propagated back to the initial time to generate the best-estimated trajectory, based upon all available data. The methods are applied to the problem of reconstructing the trajectory of the Hyper-X vehicle from ight data.

Optimizing interplanetary trajectories with deep space maneuvers

NASA Astrophysics Data System (ADS)

Navagh, John

1993-09-01

Analysis of interplanetary trajectories is a crucial area for both manned and unmanned missions of the Space Exploration Initiative. A deep space maneuver (DSM) can improve a trajectory in much the same way as a planetary swingby. However, instead of using a gravitational field to alter the trajectory, the on-board propulsion system of the spacecraft is used when the vehicle is not near a planet. The purpose is to develop an algorithm to determine where and when to use deep space maneuvers to reduce the cost of a trajectory. The approach taken to solve this problem uses primer vector theory in combination with a non-linear optimizing program to minimize Delta(V). A set of necessary conditions on the primer vector is shown to indicate whether a deep space maneuver will be beneficial. Deep space maneuvers are applied to a round trip mission to Mars to determine their effect on the launch opportunities. Other studies which were performed include cycler trajectories and Mars mission abort scenarios. It was found that the software developed was able to locate quickly DSM's which lower the total Delta(V) on these trajectories.

Identifying Trajectories of Borderline Personality Features in Adolescence

PubMed Central

Haltigan, John D.

2016-01-01

Objective: To examine trajectories of adolescent borderline personality (BP) features in a normative-risk cohort (n = 566) of Canadian children assessed at ages 13, 14, 15, and 16 and childhood predictors of trajectory group membership assessed at ages 8, 10, 11, and 12. Method: Data were drawn from the McMaster Teen Study, an on-going study examining relations among bullying, mental health, and academic achievement. Participants and their parents completed a battery of mental health and peer relations questionnaires at each wave of the study. Academic competence was assessed at age 8 (Grade 3). Latent class growth analysis, analysis of variance, and logistic regression were used to analyze the data. Results: Three distinct BP features trajectory groups were identified: elevated or rising, intermediate or stable, and low or stable. Parent- and child-reported mental health symptoms, peer relations risk factors, and intra-individual risk factors were significant predictors of elevated or rising and intermediate or stable trajectory groups. Child-reported attention-deficit hyperactivity disorder (ADHD) and somatization symptoms uniquely predicted elevated or rising trajectory group membership, whereas parent-reported anxiety and child-reported ADHD symptoms uniquely predicted intermediate or stable trajectory group membership. Child-reported somatization symptoms was the only predictor to differentiate the intermediate or stable and elevated or rising trajectory groups (OR 1.15, 95% CI 1.04 to 1.28). Associations between child-reported reactive temperament and elevated BP features trajectory group membership were 10.23 times higher among children who were bullied, supporting a diathesis–stress pathway in the development of BP features for these youth. Conclusions: Findings demonstrate the heterogeneous course of BP features in early adolescence and shed light on the potential prodromal course of later borderline personality disorder. PMID:27254092

75 FR 11563 - Jovencio L. Raneses, M.D.; Denial of Application

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-11

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Jovencio L. Raneses, M.D.; Denial of... Enforcement Administration, issued an Order to Show Cause to Jovencio L. Raneses, M.D. (Respondent), of San... issued by the Medical Board of California. See In re Jovencio L. Raneses, M.D., Default Decision and...

Hodograph analysis in aircraft trajectory optimization

NASA Technical Reports Server (NTRS)

Cliff, Eugene M.; Seywald, Hans; Bless, Robert R.

1993-01-01

An account is given of key geometrical concepts involved in the use of a hodograph as an optimal control theory resource which furnishes a framework for geometrical interpretation of the minimum principle. Attention is given to the effects of different convexity properties on the hodograph, which bear on the existence of solutions and such types of controls as chattering controls, 'bang-bang' control, and/or singular control. Illustrative aircraft trajectory optimization problems are examined in view of this use of the hodograph.

A Distributed Trajectory-Oriented Approach to Managing Traffic Complexity

NASA Technical Reports Server (NTRS)

Idris, Husni; Wing, David J.; Vivona, Robert; Garcia-Chico, Jose-Luis

2007-01-01

In order to handle the expected increase in air traffic volume, the next generation air transportation system is moving towards a distributed control architecture, in which ground-based service providers such as controllers and traffic managers and air-based users such as pilots share responsibility for aircraft trajectory generation and management. While its architecture becomes more distributed, the goal of the Air Traffic Management (ATM) system remains to achieve objectives such as maintaining safety and efficiency. It is, therefore, critical to design appropriate control elements to ensure that aircraft and groundbased actions result in achieving these objectives without unduly restricting user-preferred trajectories. This paper presents a trajectory-oriented approach containing two such elements. One is a trajectory flexibility preservation function, by which aircraft plan their trajectories to preserve flexibility to accommodate unforeseen events. And the other is a trajectory constraint minimization function by which ground-based agents, in collaboration with air-based agents, impose just-enough restrictions on trajectories to achieve ATM objectives, such as separation assurance and flow management. The underlying hypothesis is that preserving trajectory flexibility of each individual aircraft naturally achieves the aggregate objective of avoiding excessive traffic complexity, and that trajectory flexibility is increased by minimizing constraints without jeopardizing the intended ATM objectives. The paper presents conceptually how the two functions operate in a distributed control architecture that includes self separation. The paper illustrates the concept through hypothetical scenarios involving conflict resolution and flow management. It presents a functional analysis of the interaction and information flow between the functions. It also presents an analytical framework for defining metrics and developing methods to preserve trajectory flexibility and

76 FR 48898 - Robert Leigh Kale, M.D., Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-09

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Robert Leigh Kale, M.D., Decision and Order... Enforcement Administration, issued an Order to Show Cause to Robert Leigh Kale, M.D. (Registrant), of Fort... Certificate of Registration, BK9514375, issued to Robert Leigh Kale, M.D., be, and it hereby is, revoked. I...

78 FR 52802 - Tin T. Win, M.D., Dismissal of Proceeding

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-26

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Tin T. Win, M.D., Dismissal of Proceeding On... Cause and Immediate Suspension of Registration to Tin T. Win, M.D. (hereinafter, Registrant), of Lake... order that the Order to Show Cause and Immediate Suspension of Registration issued to Tin T. Win, M.D...

76 FR 5686 - Drawbridge Operation Regulation; Pocomoke River, Pocomoke City, MD

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-02

... Operation Regulation; Pocomoke River, Pocomoke City, MD AGENCY: Coast Guard, DHS. ACTION: Notice of... River, mile 15.6, at Pocomoke City, MD. The deviation restricts the operation of the draw span to.... The Route 675 Bridge across Pocomoke River, mile 15.6 at Pocomoke City MD, has a vertical clearance in...

76 FR 81826 - Drawbridge Operation Regulation; Pocomoke River, Pocomoke City, MD

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-29

... Operation Regulation; Pocomoke River, Pocomoke City, MD AGENCY: Coast Guard, DHS. ACTION: Notice of... River, mile 15.6, at Pocomoke City, MD. The deviation restricts the operation of the draw span to... City, MD, has a vertical clearance in the closed position of three feet above mean high water. Under...

Barrier scattering with complex-valued quantum trajectories: Taxonomy and analysis of isochrones

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

David, Julianne K.; Wyatt, Robert E.

2008-03-07

To facilitate the search for isochrones when using complex-valued trajectory methods for quantum barrier scattering calculations, the structure and shape of isochrones in the complex plane were studied. Isochrone segments were categorized based on their distinguishing features, which are shared by each situation studied: High and low energy wave packets, scattering from both thick and thin Gaussian and Eckart barriers of varying height. The characteristic shape of the isochrone is a trifurcated system: Trajectories that transmit the barrier are launched from the lower branch (T), while the middle and upper branches form the segments for reflected trajectories (F and B).more » In addition, a model is presented for the curved section of the lower branch (from which transmitted trajectories are launched), and important features of the complex extension of the initial wave packet are identified.« less

Allocation and Routing of CRAF MD80 Aircraft

DTIC Science & Technology

1990-03-01

8217I0P N2 COF Allocation and Routing of CRAF MD80 Aircraft William B. Carter Captain, USAF AFIT/GST/ENS/90M-4 DISTRIBUTION STATEMENT A D0TE4 I C...posture. My experience as an airlift pilot drew me to this topic dealing with a very special part of our airlift forces, aeromedical evacuation. This...thesis attempts to make a "first cut" in the analysis of how the new Civil Reserve Air Fleet (CRAF) aeromedical evacuation mission should operate. My

Trajectory selection for the Mariner Jupiter/Saturn 1977 Project

NASA Technical Reports Server (NTRS)

Dyer, J. S.; Miles, R. F., Jr.

1974-01-01

This paper describes the use of decision analysis to facilitate a group decision-making problem in the selection of trajectories for the two spacecraft of the Mariner Jupiter/Saturn 1977 Project. This NASA project includes the participation of some eighty scientists divided by specialization among eleven science teams. A set of thirty-two candidate trajectory pairs was developed by the Project in collaboration with the science teams. Each science team then ordinally ranked and assigned cardinal utility function values to the trajectory pairs. These data and statistics derived from collective choice rules were used by the scientists in selecting the preferred trajectory pair.

ISYS-MD: A Surgeon's Influence on System Design

PubMed Central

Cavaye, Graham

1982-01-01

ISYS-MD, the Integrated SYStem in MUMPS for MD's, is a new design and a completely re-written system for a computerized medical record. It possesses the functionality of COSTAR combined with a comprehensive accountancy system. In addition, various ideas have been incorporated from the author's extensive experience in medical practice, making the system very practical in a clinical environment.

On Integral Invariants for Effective 3-D Motion Trajectory Matching and Recognition.

PubMed

Shao, Zhanpeng; Li, Youfu

2016-02-01

Motion trajectories tracked from the motions of human, robots, and moving objects can provide an important clue for motion analysis, classification, and recognition. This paper defines some new integral invariants for a 3-D motion trajectory. Based on two typical kernel functions, we design two integral invariants, the distance and area integral invariants. The area integral invariants are estimated based on the blurred segment of noisy discrete curve to avoid the computation of high-order derivatives. Such integral invariants for a motion trajectory enjoy some desirable properties, such as computational locality, uniqueness of representation, and noise insensitivity. Moreover, our formulation allows the analysis of motion trajectories at a range of scales by varying the scale of kernel function. The features of motion trajectories can thus be perceived at multiscale levels in a coarse-to-fine manner. Finally, we define a distance function to measure the trajectory similarity to find similar trajectories. Through the experiments, we examine the robustness and effectiveness of the proposed integral invariants and find that they can capture the motion cues in trajectory matching and sign recognition satisfactorily.

Preserving correlations between trajectories for efficient path sampling

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

Gingrich, Todd R.; Geissler, Phillip L.; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2015-06-21

Importance sampling of trajectories has proved a uniquely successful strategy for exploring rare dynamical behaviors of complex systems in an unbiased way. Carrying out this sampling, however, requires an ability to propose changes to dynamical pathways that are substantial, yet sufficiently modest to obtain reasonable acceptance rates. Satisfying this requirement becomes very challenging in the case of long trajectories, due to the characteristic divergences of chaotic dynamics. Here, we examine schemes for addressing this problem, which engineer correlation between a trial trajectory and its reference path, for instance using artificial forces. Our analysis is facilitated by a modern perspective onmore » Markov chain Monte Carlo sampling, inspired by non-equilibrium statistical mechanics, which clarifies the types of sampling strategies that can scale to long trajectories. Viewed in this light, the most promising such strategy guides a trial trajectory by manipulating the sequence of random numbers that advance its stochastic time evolution, as done in a handful of existing methods. In cases where this “noise guidance” synchronizes trajectories effectively, as the Glauber dynamics of a two-dimensional Ising model, we show that efficient path sampling can be achieved for even very long trajectories.« less

76 FR 71369 - Robert G. Crummie, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-17

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 10-60] Robert G. Crummie, M.D... Registration, BC2964965, issued to Robert G. Crummie, M.D., be, and it hereby is, revoked. I further order that any pending application of Robert G. Crummie, M.D., to renew or modify his registration, be, and it...

78 FR 19012 - Pawan Kumar Jain, M.D.; Decision And Order

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-28

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 13-13] Pawan Kumar Jain, M.D...), I order that DEA Certificate of Registration BJ5128067, issued to Pawan Kumar Jain, M.D., be, and it hereby is, revoked. I further order that any pending application of Pawan Kumar Jain, M.D., to renew or...

75 FR 49955 - Hung Thien Ly, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-16

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Hung Thien Ly, M.D.; Revocation of... Enforcement Administration, issued an Order to Show Cause to Hung Thien Ly, M.D. (Respondent), of McRae..., BL8586147, issued to Hung Thien Ly, M.D., be, and it hereby is, revoked. I further order that any pending...

A dsRNA-binding protein MdDRB1 associated with miRNA biogenesis modifies adventitious rooting and tree architecture in apple.

PubMed

You, Chun-Xiang; Zhao, Qiang; Wang, Xiao-Fei; Xie, Xing-Bin; Feng, Xiao-Ming; Zhao, Ling-Ling; Shu, Huai-Rui; Hao, Yu-Jin

2014-02-01

Although numerous miRNAs have been already isolated from fruit trees, knowledge about miRNA biogenesis is largely unknown in fruit trees. Double-strand RNA-binding (DRB) protein plays an important role in miRNA processing and maturation; however, its role in the regulation of economically important traits is not clear yet in fruit trees. EST blast and RACE amplification were performed to isolate apple MdDRB1 gene. Following expression analysis, RNA binding and protein interaction assays, MdDRB1 was transformed into apple callus and in vitro tissue cultures to characterize the functions of MdDRB1 in miRNA biogenesis, adventitious rooting, leaf development and tree growth habit. MdDRB1 contained two highly conserved DRB domains. Its transcripts existed in all tissues tested and are induced by hormones. It bound to double-strand RNAs and interacted with AtDCL1 (Dicer-Like 1) and MdDCL1. Chip assay indicated its role in miRNA biogenesis. Transgenic analysis showed that MdDRB1 controls adventitious rooting, leaf curvature and tree architecture by modulating the accumulation of miRNAs and the transcript levels of miRNA target genes. Our results demonstrated that MdDRB1 functions in the miRNA biogenesis in a conserved way and that it is a master regulator in the formation of economically important traits in fruit trees. © 2013 Society for Experimental Biology, Association of Applied Biologists and John Wiley & Sons Ltd.

Kinetic analysis of single molecule FRET transitions without trajectories

NASA Astrophysics Data System (ADS)

Schrangl, Lukas; Göhring, Janett; Schütz, Gerhard J.

2018-03-01

Single molecule Förster resonance energy transfer (smFRET) is a popular tool to study biological systems that undergo topological transitions on the nanometer scale. smFRET experiments typically require recording of long smFRET trajectories and subsequent statistical analysis to extract parameters such as the states' lifetimes. Alternatively, analysis of probability distributions exploits the shapes of smFRET distributions at well chosen exposure times and hence works without the acquisition of time traces. Here, we describe a variant that utilizes statistical tests to compare experimental datasets with Monte Carlo simulations. For a given model, parameters are varied to cover the full realistic parameter space. As output, the method yields p-values which quantify the likelihood for each parameter setting to be consistent with the experimental data. The method provides suitable results even if the actual lifetimes differ by an order of magnitude. We also demonstrated the robustness of the method to inaccurately determine input parameters. As proof of concept, the new method was applied to the determination of transition rate constants for Holliday junctions.

Iso-chemical potential trajectories in the P-T plane for He II

NASA Technical Reports Server (NTRS)

Maytal, B.; Nissen, J. A.; Van Sciver, S. W.

1990-01-01

Trajectories of constant chemical potential in the P-T plane serve as an integral formulation of London's equation. The trajectories are useful for analysis and synthesis of fountain effect pump performance. A family of trajectories is generated from available numerical codes.

Ballistics Trajectory and Impact Analysis for Insensitive Munitions and Hazard Classification Project Criteria

NASA Astrophysics Data System (ADS)

Baker, Ernest; van der Voort, Martijn; NATO Munitions Safety Information Analysis Centre Team

2017-06-01

Ballistics trajectory and impact conditions calculations were conducted in order to investigate the origin of the projection criteria for Insensitive Munitions (IM) and Hazard Classification (HC). The results show that the existing IM and HC projection criteria distance-mass relations are based on launch energy rather than impact conditions. The distance-mass relations were reproduced using TRAJCAN trajectory analysis by using launch energies of 8, 20 and 79J and calculating the maximum impact distance reached by a natural fragment (steel) launched from 1 m height. The analysis shows that at the maximum throw distances, the impact energy is generally much smaller than the launch energy. Using maximum distance projections, new distance-mass relations were developed that match the criteria based on impact energy at 15m and beyond rather than launch energy. Injury analysis was conducted using penetration injury and blunt injury models. The smallest projectile masses in the distance-mass relations are in the transition region from penetration injury to blunt injury. For this reason, blunt injury dominates the assessment of injury or lethality. State of the art blunt injury models predict only minor injury for a 20J impact. For a 79J blunt impact, major injury is likely to occur. MSIAC recommends changing the distance-mass relation that distinguishes a munitions burning response to a 20 J impact energy criterion at 15 m and updating of the UN Orange Book.

Trends in MD/PhD Graduates Entering Psychiatry: Assessing the Physician-Scientist Pipeline.

PubMed

Arbuckle, Melissa R; Luo, Sean X; Pincus, Harold Alan; Gordon, Joshua A; Chung, Joyce Y; Chavez, Mark; Oquendo, Maria A

2018-06-01

The goal of this study was to identify trends in MD/PhD graduates entering psychiatry, to compare these trends with other specialties, and to review strategies for enhancing the physician-scientist pipeline. Data on 226,588 medical students graduating from Liaison Committee on Medical Education accredited programs between 1999 and 2012 (6626 MD/PhDs) were used to evaluate the number, percentage, and proportion of MD/PhDs entering psychiatry in comparison with other specialties (neurology, neurosurgery, internal medicine, family medicine, and radiation oncology). Linear regression and multiple linear regression determined whether these values increased over time and varied by sex. Over 14 years, an average of 18 MD/PhDs (range 13-29) enrolled in psychiatry each year. The number of MD/PhDs going into psychiatry significantly increased, although these gains were modest (less than one additional MD/PhD per year). The proportion of students entering psychiatry who were MD/PhDs varied between 2.9 and 5.9 per 100 residents, with no significant change over time. There was also no change in the percentage of MD/PhDs entering psychiatry from among all MD/PhD graduates. The rate of increase in the number of MD/PhDs going into psychiatry did not differ significantly from other specialties except for family medicine, which is decreasing. The rate of MD/PhDs going into psychiatry was higher for women, suggesting closure of the sex gap in 17 years. Despite the increase in the number of MD/PhDs entering psychiatry, these numbers remain low. Expanding the cohort of physician-scientists dedicated to translational research in psychiatry will require a multipronged approach.

Separating the Air Quality Impact of a Major Highway and Nearby Sources by Nonparametric Trajectory Analysis

EPA Science Inventory

Nonparametric Trajectory Analysis (NTA), a receptor-oriented model, was used to assess the impact of local sources of air pollution at monitoring sites located adjacent to highway I-15 in Las Vegas, NV. Measurements of black carbon, carbon monoxide, nitrogen oxides, and sulfur di...

Oceanic Flights and Airspace: Improving Efficiency by Trajectory-Based Operations

NASA Technical Reports Server (NTRS)

Fernandes, Alicia Borgman; Rebollo, Juan; Koch, Michael

2016-01-01

Oceanic operations suffer from multiple inefficiencies, including pre-departure planning that does not adequately consider uncertainty in the proposed trajectory, restrictions on the routes that a flight operator can choose for an oceanic crossing, time-consuming processes and procedures for amending en route trajectories, and difficulties exchanging data between Flight Information Regions (FIRs). These inefficiencies cause aircraft to fly suboptimal trajectories, burning fuel and time that could be conserved. A concept to support integration of existing and emerging capabilities and concepts is needed to transition to an airspace system that employs Trajectory Based Operations (TBO) to improve efficiency and safety in oceanic operations. This paper describes such a concept and the results of preliminary activities to evaluate the concept, including a stakeholder feedback activity, user needs analysis, and high level benefits analysis.

Trajectory Browser Website

NASA Technical Reports Server (NTRS)

Foster, Cyrus; Jaroux, Belgacem A.

2012-01-01

The Trajectory Browser is a web-based tool developed at the NASA Ames Research Center to be used for the preliminary assessment of trajectories to small-bodies and planets and for providing relevant launch date, time-of-flight and V requirements. The site hosts a database of transfer trajectories from Earth to asteroids and planets for various types of missions such as rendezvous, sample return or flybys. A search engine allows the user to find trajectories meeting desired constraints on the launch window, mission duration and delta V capability, while a trajectory viewer tool allows the visualization of the heliocentric trajectory and the detailed mission itinerary. The anticipated user base of this tool consists primarily of scientists and engineers designing interplanetary missions in the context of pre-phase A studies, particularly for performing accessibility surveys to large populations of small-bodies. The educational potential of the website is also recognized for academia and the public with regards to trajectory design, a field that has generally been poorly understood by the public. The website is currently hosted on NASA-internal URL http://trajbrowser.arc.nasa.gov/ with plans for a public release as soon as development is complete.

Galileo's Trajectory with Mild Resistance

ERIC Educational Resources Information Center

Groetsch, C. W.

2012-01-01

An aspect of Galileo's classical trajectory that persists in a simple resistance model is noted. The resistive model provides a case study for the classroom analysis of limiting behaviour of an implicitly defined function. (Contains 1 note.)

A combined Eulerian-Lagrangian two-phase analysis of the SSME HPOTP nozzle plug trajectories

NASA Technical Reports Server (NTRS)

Garcia, Robert; Mcconnaughey, P. K.; Dejong, F. J.; Sabnis, J. S.; Pribik, D.

1989-01-01

As a result of high cycle fatigue, hydrogen embrittlement, and extended engine use, it was observed in testing that the trailing edge on the first stage nozzle plug in the High Pressure Oxygen Turbopump (HPOTP) could detach. The objective was to predict the trajectories followed by particles exiting the turbine. Experiments had shown that the heat exchanger soils, which lie downstream of the turbine, would be ruptured by particles traveling in the order of 360 ft/sec. An axisymmetric solution of the flow was obtained from the work of Lin et. al., who used INS3D to obtain the solution. The particle trajectories were obtained using the method of de Jong et. al., which employs Lagrangian tracking of the particle through the Eulerian flow field. The collision parameters were obtained from experiments conducted by Rocketdyne using problem specific alloys, speeds, and projectile geometries. A complete 3-D analysis using the most likely collision parameters shows maximum particle velocities of 200 ft/sec. in the heat exchanger region. Subsequent to this analysis, an engine level test was conducted in which seven particles passed through the turbine but no damage was observed on the heat exchanger coils.

BGK-MD, Version 1.0

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

Haack, Jeffrey; Shohet, Gil

2016-12-02

The software implements a heterogeneous multiscale method (HMM), which involves solving a classical molecular dynamics (MD) problem and then computes the entropy production in order to compute the relaxation times towards equilibrium for use in a Bhatnagar-Gross-Krook (BGK) solver.

Management by Trajectory: Trajectory Management Study Report

NASA Technical Reports Server (NTRS)

Leiden, Kenneth; Atkins, Stephen; Fernandes, Alicia D.; Kaler, Curt; Bell, Alan; Kilbourne, Todd; Evans, Mark

2017-01-01

In order to realize the full potential of the Next Generation Air Transportation System (NextGen), improved management along planned trajectories between air navigation service providers (ANSPs) and system users (e.g., pilots and airline dispatchers) is needed. Future automation improvements and increased data communications between aircraft and ground automation would make the concept of Management by Trajectory (MBT) possible.

Hyper-X Mach 10 Trajectory Reconstruction

NASA Technical Reports Server (NTRS)

Karlgaard, Christopher D.; Martin, John G.; Tartabini, Paul V.; Thornblom, Mark N.

2005-01-01

This paper discusses the formulation and development of a trajectory reconstruction tool for the NASA X-43A/Hyper-X high speed research vehicle, and its implementation for the reconstruction and analysis of flight test data. Extended Kalman filtering techniques are employed to reconstruct the trajectory of the vehicle, based upon numerical integration of inertial measurement data along with redundant measurements of the vehicle state. The equations of motion are formulated in order to include the effects of several systematic error sources, whose values may also be estimated by the filtering routines. Additionally, smoothing algorithms have been implemented in which the final value of the state (or an augmented state that includes other systematic error parameters to be estimated) and covariance are propagated back to the initial time to generate the best-estimated trajectory, based upon all available data. The methods are applied to the problem of reconstructing the trajectory of the Hyper-X vehicle from data obtained during the Mach 10 test flight, which occurred on November 16th 2004.

Trajectory tracking control for underactuated stratospheric airship

NASA Astrophysics Data System (ADS)

Zheng, Zewei; Huo, Wei; Wu, Zhe

2012-10-01

Stratospheric airship is a new kind of aerospace system which has attracted worldwide developing interests for its broad application prospects. Based on the trajectory linearization control (TLC) theory, a novel trajectory tracking control method for an underactuated stratospheric airship is presented in this paper. Firstly, the TLC theory is described sketchily, and the dynamic model of the stratospheric airship is introduced with kinematics and dynamics equations. Then, the trajectory tracking control strategy is deduced in detail. The designed control system possesses a cascaded structure which consists of desired attitude calculation, position control loop and attitude control loop. Two sub-loops are designed for the position and attitude control loops, respectively, including the kinematics control loop and dynamics control loop. Stability analysis shows that the controlled closed-loop system is exponentially stable. Finally, simulation results for the stratospheric airship to track typical trajectories are illustrated to verify effectiveness of the proposed approach.

33 CFR 110.71a - Cabin Creek, Grasonville, Md.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Cabin Creek, Grasonville, Md. 110.71a Section 110.71a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71a Cabin Creek, Grasonville, Md. The waters...

33 CFR 110.71a - Cabin Creek, Grasonville, Md.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 1 2011-07-01 2011-07-01 false Cabin Creek, Grasonville, Md. 110.71a Section 110.71a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71a Cabin Creek, Grasonville, Md. The waters...

33 CFR 110.71a - Cabin Creek, Grasonville, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 1 2013-07-01 2013-07-01 false Cabin Creek, Grasonville, Md. 110.71a Section 110.71a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71a Cabin Creek, Grasonville, Md. The waters...

33 CFR 110.71a - Cabin Creek, Grasonville, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Cabin Creek, Grasonville, Md. 110.71a Section 110.71a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71a Cabin Creek, Grasonville, Md. The waters...

33 CFR 110.71a - Cabin Creek, Grasonville, Md.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 1 2012-07-01 2012-07-01 false Cabin Creek, Grasonville, Md. 110.71a Section 110.71a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71a Cabin Creek, Grasonville, Md. The waters...

Mars Hybrid Propulsion System Trajectory Analysis. Part II; Cargo Missions

NASA Technical Reports Server (NTRS)

Chai, Patrick R.; Merrill, Raymond G.; Qu, Min

2015-01-01

NASA's Human Spaceflight Architecture Team is developing a reusable hybrid transportation architecture in which both chemical and electric propulsion systems are used to send crew and cargo to Mars destinations such as Phobos, Deimos, the surface of Mars, and other orbits around Mars. By combining chemical and electrical propulsion into a single spaceship and applying each where it is more effective, the hybrid architecture enables a series of Mars trajectories that are more fuel-efficient than an all chemical architecture without significant increases in flight times. This paper shows the feasibility of the hybrid transportation architecture to pre-deploy cargo to Mars and Phobos in support of the Evolvable Mars Campaign crew missions. The analysis shows that the hybrid propulsion stage is able to deliver all of the current manifested payload to Phobos and Mars through the first three crew missions. The conjunction class trajectory also allows the hybrid propulsion stage to return to Earth in a timely fashion so it can be reused for additional cargo deployment. The 1,100 days total trip time allows the hybrid propulsion stage to deliver cargo to Mars every other Earth-Mars transit opportunity. For the first two Mars surface mission in the Evolvable Mars Campaign, the short trip time allows the hybrid propulsion stage to be reused for three round-trip journeys to Mars, which matches the hybrid propulsion stage's designed lifetime for three round-trip crew missions to the Martian sphere of influence.

Trajectories of Childbearing among HIV Infected Indian Women: A Sequence Analysis Approach

PubMed Central

Darak, Shrinivas; Mills, Melinda; Kulkarni, Vinay; Kulkarni, Sanjeevani; Hutter, Inge; Janssen, Fanny

2015-01-01

Background HIV infection closely relates to and deeply affects the reproductive career of those infected. However, little is known about the reproductive career trajectories, specifically the interaction of the timing of HIV diagnosis with the timing and sequencing of reproductive events among HIV infected women. This is the first study to describe and typify this interaction. Methods Retrospective calendar data of ever married HIV infected women aged 15-45 attending a HIV clinic in Pune, Maharashtra, Western India (N=622) on reproductive events such as marriage, cohabitation with the partner, use of contraception, pregnancy, childbirth and HIV diagnosis were analyzed using sequence analysis and multinomial logistic regression. Results Optimal matching revealed three distinct trajectories: 1) HIV diagnosis concurrent with childbearing (40.7%), 2) HIV diagnosis after childbearing (32.1%), and 3) HIV diagnosis after husband’s death (27.2%). Multinomial logistic regression (trajectory 1 = baseline) showed that women who got married before the age of 21 years and who had no or primary level education had a significantly higher risk of knowing their HIV status either after childbearing or close to their husband’s death. The risk of HIV diagnosis after husband’s death was also higher among rural women and those who were diagnosed before 2005. Conclusions Three distinct patterns of interaction of timing of HIV diagnosis with timing and sequencing of events in the reproductive career were observed that have clear implications for (i) understanding of the individual life planning process in the context of HIV, (ii) formulation of assumptions for estimating HIV infected women in need of PMTCT services, and (iii) provision of care services. PMID:25906185

A QM-MD simulation approach to the analysis of FRET processes in (bio)molecular systems. A case study: complexes of E. coli purine nucleoside phosphorylase and its mutants with formycin A.

PubMed

Sobieraj, M; Krzyśko, K A; Jarmuła, A; Kalinowski, M W; Lesyng, B; Prokopowicz, M; Cieśla, J; Gojdź, A; Kierdaszuk, B

2015-04-01

Predicting FRET pathways in proteins using computer simulation techniques is very important for reliable interpretation of experimental data. A novel and relatively simple methodology has been developed and applied to purine nucleoside phosphorylase (PNP) complexed with a fluorescent ligand - formycin A (FA). FRET occurs between an excited Tyr residue (D*) and FA (A). This study aims to interpret experimental data that, among others, suggests the absence of FRET for the PNPF159A mutant in complex with FA, based on novel theoretical methodology. MD simulations for the protein molecule containing D*, and complexed with A, are carried out. Interactions of D* with its molecular environment are accounted by including changes of the ESP charges in S1, compared to S0, and computed at the SCF-CI level. FRET probability W F depends on the inverse six-power of the D*-A distance, R da . The orientational factor 0 < k(2) < 4 between D* and A is computed and included in the analysis. Finally W F is time-averaged over the MD trajectories resulting in its mean value. The red-shift of the tyrosinate anion emission and thus lack of spectral overlap integral and thermal energy dissipation are the reasons for the FRET absence in the studied mutants at pH 7 and above. The presence of the tyrosinate anion results in a competitive energy dissipation channel and red-shifted emission, thus in consequence in the absence of FRET. These studies also indicate an important role of the phenyl ring of Phe159 for FRET in the wild-type PNP, which does not exist in the Ala159 mutant, and for the effective association of PNP with FA. In a more general context, our observations point out very interesting and biologically important properties of the tyrosine residue in its excited state, which may undergo spontaneous deprotonation in the biomolecular systems, resulting further in unexpected physical and/or biological phenomena. Until now, this observation has not been widely discussed in the

CoMD Implementation Suite in Emerging Programming Models

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

Haque, Riyaz; Reeve, Sam; Juallmes, Luc

CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecular dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended tomore » support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.« less

3MdB: the Mexican Million Models database

NASA Astrophysics Data System (ADS)

Morisset, C.; Delgado-Inglada, G.

2014-10-01

The 3MdB is an original effort to construct a large multipurpose database of photoionization models. This is a more modern version of a previous attempt based on Cloudy3D and IDL tools. It is accessed by MySQL requests. The models are obtained using the well known and widely used Cloudy photoionization code (Ferland et al, 2013). The database is aimed to host grids of models with different references to identify each project and to facilitate the extraction of the desired data. We present here a description of the way the database is managed and some of the projects that use 3MdB. Anybody can ask for a grid to be run and stored in 3MdB, to increase the visibility of the grid and the potential side applications of it.

The relation between parenting stress and adolescents' somatisation trajectories: a growth mixture analysis.

PubMed

Rousseau, Sofie; Grietens, Hans; Vanderfaeillie, Johan; Hoppenbrouwers, Karel; Desoete, Annemie; Van Leeuwen, Karla

2014-12-01

The impact of somatisation in adolescence is substantial. Knowledge on (predictors of) individual-level development of somatisation is necessary to develop tailored treatment. The current study assessed individual-level development of somatisation by means of latent mixed modelling. Parenting stress was included as a predictor of somatisation trajectory membership and within-trajectory variation. A total of 1499 adolescents and one of their parents (mostly the mother) agreed to participate. Questionnaires were administered when the adolescents were respectively 12-13 (T1), 13-14 (T2), and 14-15 (T3) years old. Adolescents reported on their somatisation, parents on their parenting stress. Four individual somatisation trajectories were found: increased, long-term low, long-term high, and decreased. Higher early parenting stress (T1) significantly predicted less favourable trajectory membership (increased and long-term high). The relation between later parenting stress (T2 and T3) and somatisation depended on trajectory membership. For adolescents in the long-term high and decreased somatisation trajectories, lower T2 and T3 parenting stress was related to higher somatisation, while for adolescents in the long-term low and increased trajectories, higher T2 and T3 parenting stress was related to higher somatisation. The results support a general recommendation to prevent the onset of high levels of parenting stress. In addition, for families in which high levels of parenting stress already exist, clinicians should be aware of natural fluctuations in parenting stress, its associated features (e.g., aspects of overall care, like looking for professional help) and of the consequences this might have for the adolescent. Copyright © 2014 Elsevier Inc. All rights reserved.

Trajectories of dental anxiety in a birth cohort

PubMed Central

Thomson, W. M.; Broadbent, J. M.; Locker, D.; Poulton, R.

2010-01-01

Objective To examine predictors of dental anxiety trajectories in a longitudinal study of New Zealanders. Methods Prospective study of a complete birth cohort born in 1972/73 in Dunedin, New Zealand, with dental anxiety scale (DAS) scores and dental utilization determined at ages 15, 18, 26 and 32 years. Personality traits were assessed at a superfactor and (more fine-grained) subscale level via the Multidimensional Personality Questionnaire at age 18 years. Group-based trajectory analysis was used to identify dental anxiety trajectories. Results DAS scores from at least three assessments were available for 828 participants. Six dental anxiety trajectories were observed: stable nonanxious low (39.6%); stable nonanxious medium (37.9%); recovery (1.6%); adult-onset anxious (7.7%); stable anxious (7.2%) and adolescent-onset anxious (5.9%). Multivariate analysis showed that males and those with higher DMFS at age 15 years were more likely to be in the stable nonanxious low trajectory group. Membership of the stable nonanxious medium group was predicted by the dental caries experience at age 15 years. Participants who had lost one or more teeth between ages 26 and 32 years had almost twice the relative risk for membership of the adult-onset anxious group. Personality traits predicted group membership. Specifically, high scorers (via median split) on the ‘stress reaction’ subscale had over twice the risk of being in the stable anxious group; low scorers on the traditionalism subscale were more likely to be members of the recovery trajectory group; and high scorers on the ‘social closeness’ subscale had half the risk of being in the stable anxious group. Dental caries experience at age 5 years was also a predictor for the stable anxious group. Membership of the late-adolescent-onset anxious group was predicted by higher dental caries experience by age 15 years, but none of the other predictors was significant. Conclusion Six discrete trajectories of dental anxiety

Dispersion analysis for baseline reference mission 1. [flight simulation and trajectory analysis for space shuttle orbiter

NASA Technical Reports Server (NTRS)

Kuhn, A. E.

1975-01-01

A dispersion analysis considering 3 sigma uncertainties (or perturbations) in platform, vehicle, and environmental parameters was performed for the baseline reference mission (BRM) 1 of the space shuttle orbiter. The dispersion analysis is based on the nominal trajectory for the BRM 1. State vector and performance dispersions (or variations) which result from the indicated 3 sigma uncertainties were studied. The dispersions were determined at major mission events and fixed times from lift-off (time slices) and the results will be used to evaluate the capability of the vehicle to perform the mission within a 3 sigma level of confidence and to determine flight performance reserves. A computer program is given that was used for dynamic flight simulations of the space shuttle orbiter.

Risk factors of significant pain syndrome 90 days after minor thoracic injury: trajectory analysis.

PubMed

Daoust, Raoul; Emond, Marcel; Bergeron, Eric; LeSage, Natalie; Camden, Stéphanie; Guimont, Chantal; Vanier, Laurent; Chauny, Jean-Marc

2013-11-01

The objective was to identify the risk factors of clinically significant pain at 90 days in patients with minor thoracic injury (MTI) discharged from the emergency department (ED). A prospective, multicenter, cohort study was conducted in four Canadian EDs from November 2006 to November 2010. All consecutive patients aged 16 years or older with MTI were eligible at discharge from EDs. They underwent standardized clinical and radiologic evaluations at 1 and 2 weeks, followed by standardized telephone interviews at 30 and 90 days. A pain trajectory model characterized groups of patients with different pain evolutions and ascertained specific risk factors in each group through multivariate analysis. In this cohort of 1,132 patients, 734 were eligible for study inclusion. The authors identified a pain trajectory that characterized 18.2% of the study population experiencing clinically significant pain (>3 of 10) at 90 days after a MTI. Multivariate modeling found two or more rib fractures, smoking, and initial oxygen saturation below 95% to be predictors of this group of patients. To the authors' knowledge, this is the first prospective study of trajectory modeling to detect risk factors associated with significant pain at 90 days after MTI. These factors may help in planning specific treatment strategies and should be validated in another prospective cohort. © 2013 by the Society for Academic Emergency Medicine.

33 CFR 110.71b - Wye River, Wye, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Wye River, Wye, Md. 110.71b Section 110.71b Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71b Wye River, Wye, Md. The waters of a cove on the...

33 CFR 110.71b - Wye River, Wye, Md.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 1 2011-07-01 2011-07-01 false Wye River, Wye, Md. 110.71b Section 110.71b Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71b Wye River, Wye, Md. The waters of a cove on the...

33 CFR 110.71b - Wye River, Wye, Md.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Wye River, Wye, Md. 110.71b Section 110.71b Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71b Wye River, Wye, Md. The waters of a cove on the...

33 CFR 110.71b - Wye River, Wye, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 1 2013-07-01 2013-07-01 false Wye River, Wye, Md. 110.71b Section 110.71b Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71b Wye River, Wye, Md. The waters of a cove on the...

33 CFR 110.71b - Wye River, Wye, Md.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 1 2012-07-01 2012-07-01 false Wye River, Wye, Md. 110.71b Section 110.71b Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71b Wye River, Wye, Md. The waters of a cove on the...

Modeling the Trajectory of Analgesic Demand Over Time After Total Knee Arthroplasty Using the Latent Curve Analysis.

PubMed

Lo, Po-Han; Tsou, Mei-Yung; Chang, Kuang-Yi

2015-09-01

Patient-controlled epidural analgesia (PCEA) is commonly used for pain relief after total knee arthroplasty (TKA). This study aimed to model the trajectory of analgesic demand over time after TKA and explore its influential factors using latent curve analysis. Data were retrospectively collected from 916 patients receiving unilateral or bilateral TKA and postoperative PCEA. PCEA demands during 12-hour intervals for 48 hours were directly retrieved from infusion pumps. Potentially influential factors of PCEA demand, including age, height, weight, body mass index, sex, and infusion pump settings, were also collected. A latent curve analysis with 2 latent variables, the intercept (baseline) and slope (trend), was applied to model the changes in PCEA demand over time. The effects of influential factors on these 2 latent variables were estimated to examine how these factors interacted with time to alter the trajectory of PCEA demand over time. On average, the difference in analgesic demand between the first and second 12-hour intervals was only 15% of that between the first and third 12-hour intervals. No significant difference in PCEA demand was noted between the third and fourth 12-hour intervals. Aging tended to decrease the baseline PCEA demand but body mass index and infusion rate were positively correlated with the baseline. Only sex significantly affected the trend parameter and male individuals tended to have a smoother decreasing trend of analgesic demands over time. Patients receiving bilateral procedures did not consume more analgesics than their unilateral counterparts. Goodness of fit analysis indicated acceptable model fit to the observed data. Latent curve analysis provided valuable information about how analgesic demand after TKA changed over time and how patient characteristics affected its trajectory.

Science in the clinic: a qualitative study of the positioning of MD-PhDs in the everyday clinical setting.

PubMed

Andreassen, Pernille; Christensen, Mette Krogh

2018-05-25

MD-PhDs have been hailed as significant to the advancement of medicine and health care. Yet when it comes to which positions MD-PhDs should be holding in the clinic and the academic world, there seems to be no real consensus. This article examines the ways in which a PhD-degree may contribute to medical doctors' professional practice in the clinic and discusses the positioning of MD-PhDs in the clinic. The study is explorative and qualitative, based on interviews with MD-PhDs, their physician colleagues without a PhD-degree, and their leaders. Positioning theory was applied as the analytical framework for data analysis. We found two opposing positions cutting across the groups of informants with one side critiquing the MD-PhDs for not doing enough research and for using the PhD-degree to climb the career ladder, while the other side emphasized the ways in which MD-PhDs increase the clinical focus on evidence-based medicine and integrate it with clinical decision making, thereby enhancing patient care. A debate is needed to establish more clearly how we wish to position MD-PhDs in the clinic, which in turn will give us a better idea of how many to educate and how to make better use of their competencies.

Apple F-Box Protein MdMAX2 Regulates Plant Photomorphogenesis and Stress Response.

PubMed

An, Jian-Ping; Li, Rui; Qu, Feng-Jia; You, Chun-Xiang; Wang, Xiao-Fei; Hao, Yu-Jin

2016-01-01

MAX2 (MORE AXILLARY GROWTH2) is involved in diverse physiological processes, including photomorphogenesis, the abiotic stress response, as well as karrikin and strigolactone signaling-mediated shoot branching. In this study, MdMAX2, an F-box protein that is a homolog of Arabidopsis MAX2, was identified and characterized. Overexpression of MdMAX2 in apple calli enhanced the accumulation of anthocyanin. Ectopic expression of MdMAX2 in Arabidopsis exhibited photomorphogenesis phenotypes, including increased anthocyanin content and decreased hypocotyl length. Further study indicated that MdMAX2 might promote plant photomorphogenesis by affecting the auxin signaling as well as other plant hormones. Transcripts of MdMAX2 were noticeably up-regulated in response to NaCl and Mannitol treatments. Moreover, compared with the wild-type, the MdMAX2 -overexpressing apple calli and Arabidopsis exhibited increased tolerance to salt and drought stresses. Taken together, these results suggest that MdMAX2 plays a positive regulatory role in plant photomorphogenesis and stress response.

Coarse-Grained MD Simulations and Protein-Protein Interactions: The Cohesin-Dockerin System.

PubMed

Hall, Benjamin A; Sansom, Mark S P

2009-09-08

Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach to protein-protein interactions. The cohesin-dockerin interaction provides a valuable test system for evaluation of the use of CG-MD, as structural (X-ray) data indicate a dual binding mode for the cohesin-dockerin pair. CG-MD simulations (of 5 μs duration) of the association of cohesin and dockerin identify two distinct binding modes, which resemble those observed in X-ray structures. For each binding mode, ca. 80% of interfacial residues are predicted correctly. Furthermore, each of the binding modes identified by CG-MD is conformationally stable when converted to an atomistic model and used as the basis of a conventional atomistic MD simulation of duration 20 ns.

Trajectories of martian habitability.

PubMed

Cockell, Charles S

2014-02-01

Beginning from two plausible starting points-an uninhabited or inhabited Mars-this paper discusses the possible trajectories of martian habitability over time. On an uninhabited Mars, the trajectories follow paths determined by the abundance of uninhabitable environments and uninhabited habitats. On an inhabited Mars, the addition of a third environment type, inhabited habitats, results in other trajectories, including ones where the planet remains inhabited today or others where planetary-scale life extinction occurs. By identifying different trajectories of habitability, corresponding hypotheses can be described that allow for the various trajectories to be disentangled and ultimately a determination of which trajectory Mars has taken and the changing relative abundance of its constituent environments.

The trajectories of EAEC countries development: Numerical analysis of competitive strategies in investments

NASA Astrophysics Data System (ADS)

Shelomentsev, A. G.; Medvedev, M. A.; Isaichik, K. F.; Dyomina, M. I.; Berg, I. A.; Kit, M.

2017-12-01

This paper discusses comparative analysis of trajectories in the development of participating countries of the Eurasian Economic Union (EAEC) in a two-dimensional phase space. The coordinates in the space is represented by the value of a dynamic variable that is a key indicator of the country's development, and the rate of its relative growth. This allows for construction of a ternary classification diagram describing competitive behavior strategies of countries in question. The comparative analysis was run for two primary factors: the size of investment in the main capital and R&D spendings. The authors carried out analysis and identification of competitive strategies for the behavior of the EAEC countries, as well as he proposed conclusions and recommendations on improving the policy of economic development.

MD Simulations of P-Type ATPases in a Lipid Bilayer System.

PubMed

Autzen, Henriette Elisabeth; Musgaard, Maria

2016-01-01

Molecular dynamics (MD) simulation is a computational method which provides insight on protein dynamics with high resolution in both space and time, in contrast to many experimental techniques. MD simulations can be used as a stand-alone method to study P-type ATPases as well as a complementary method aiding experimental studies. In particular, MD simulations have proved valuable in generating and confirming hypotheses relating to the structure and function of P-type ATPases. In the following, we describe a detailed practical procedure on how to set up and run a MD simulation of a P-type ATPase embedded in a lipid bilayer using software free of use for academics. We emphasize general considerations and problems typically encountered when setting up simulations. While full coverage of all possible procedures is beyond the scope of this chapter, we have chosen to illustrate the MD procedure with the Nanoscale Molecular Dynamics (NAMD) and the Visual Molecular Dynamics (VMD) software suites.

Growth Trajectories of Health Behaviors from Adolescence through Young Adulthood.

PubMed

Wiium, Nora; Breivik, Kyrre; Wold, Bente

2015-10-28

Based on nine waves of data collected during a period of 17 years (1990-2007), the present study explored different developmental trajectories of the following unhealthy behaviors: regular smoking, lack of regular exercise, lack of daily fruit intake, and drunkenness. A baseline sample of 1195 13-year-old pupils was from 22 randomly selected schools in the Hordaland County in western Norway. Latent class growth analysis revealed three developmental trajectories. The first trajectory was a conventional trajectory, comprising 36.3% of participants, who showed changes in smoking, physical exercise, fruit intake, and drunkenness consistent with the prevailing age specific norms of these behaviors in the Norwegian society at the time. The second trajectory was a passive trajectory, comprising 25.5% of participants, who reported low levels of both healthy and unhealthy behaviors during the 17-year period. The third trajectory was an unhealthy trajectory, comprising 38.2% of participants, who had high levels of unhealthy behaviors over time. Several covariates were examined, but only sex and mother's and father's educational levels were found to be significantly associated with the identified trajectories. While these findings need to be replicated in future studies, the identification of the different trajectories suggests the need to tailor intervention according to specific needs.

Growth Trajectories of Health Behaviors from Adolescence through Young Adulthood

PubMed Central

Wiium, Nora; Breivik, Kyrre; Wold, Bente

2015-01-01

Based on nine waves of data collected during a period of 17 years (1990–2007), the present study explored different developmental trajectories of the following unhealthy behaviors: regular smoking, lack of regular exercise, lack of daily fruit intake, and drunkenness. A baseline sample of 1195 13-year-old pupils was from 22 randomly selected schools in the Hordaland County in western Norway. Latent class growth analysis revealed three developmental trajectories. The first trajectory was a conventional trajectory, comprising 36.3% of participants, who showed changes in smoking, physical exercise, fruit intake, and drunkenness consistent with the prevailing age specific norms of these behaviors in the Norwegian society at the time. The second trajectory was a passive trajectory, comprising 25.5% of participants, who reported low levels of both healthy and unhealthy behaviors during the 17-year period. The third trajectory was an unhealthy trajectory, comprising 38.2% of participants, who had high levels of unhealthy behaviors over time. Several covariates were examined, but only sex and mother’s and father’s educational levels were found to be significantly associated with the identified trajectories. While these findings need to be replicated in future studies, the identification of the different trajectories suggests the need to tailor intervention according to specific needs. PMID:26516889

An Efficient Universal Trajectory Language

NASA Technical Reports Server (NTRS)

Hagen, George E.; Guerreiro, Nelson M.; Maddalon, Jeffrey M.; Butler, Ricky W.

2017-01-01

The Efficient Universal Trajectory Language (EUTL) is a language for specifying and representing trajectories for Air Traffic Management (ATM) concepts such as Trajectory-Based Operations (TBO). In these concepts, the communication of a trajectory between an aircraft and ground automation is fundamental. Historically, this trajectory exchange has not been done, leading to trajectory definitions that have been centered around particular application domains and, therefore, are not well suited for TBO applications. The EUTL trajectory language has been defined in the Prototype Verification System (PVS) formal specification language, which provides an operational semantics for the EUTL language. The hope is that EUTL will provide a foundation for mathematically verified algorithms that manipulate trajectories. Additionally, the EUTL language provides well-defined methods to unambiguously determine position and velocity information between the reported trajectory points. In this paper, we present the EUTL trajectory language in mathematical detail.

Hayabusa Re-Entry: Trajectory Analysis and Observation Mission Design

NASA Technical Reports Server (NTRS)

Cassell, Alan M.; Winter, Michael W.; Allen, Gary A.; Grinstead, Jay H.; Antimisiaris, Manny E.; Albers, James; Jenniskens, Peter

2011-01-01

On June 13th, 2010, the Hayabusa sample return capsule successfully re-entered Earth s atmosphere over the Woomera Prohibited Area in southern Australia in its quest to return fragments from the asteroid 1998 SF36 Itokawa . The sample return capsule entered at a super-orbital velocity of 12.04 km/sec (inertial), making it the second fastest human-made object to traverse the atmosphere. The NASA DC-8 airborne observatory was utilized as an instrument platform to record the luminous portion of the sample return capsule re-entry (60 sec) with a variety of on-board spectroscopic imaging instruments. The predicted sample return capsule s entry state information at 200 km altitude was propagated through the atmosphere to generate aerothermodynamic and trajectory data used for initial observation flight path design and planning. The DC- 8 flight path was designed by considering safety, optimal sample return capsule viewing geometry and aircraft capabilities in concert with key aerothermodynamic events along the predicted trajectory. Subsequent entry state vector updates provided by the Deep Space Network team at NASA s Jet Propulsion Laboratory were analyzed after the planned trajectory correction maneuvers to further refine the DC-8 observation flight path. Primary and alternate observation flight paths were generated during the mission planning phase which required coordination with Australian authorities for pre-mission approval. The final observation flight path was chosen based upon trade-offs between optimal viewing requirements, ground based observer locations (to facilitate post-flight trajectory reconstruction), predicted weather in the Woomera Prohibited Area and constraints imposed by flight path filing deadlines. To facilitate sample return capsule tracking by the instrument operators, a series of two racetrack flight path patterns were performed prior to the observation leg so the instruments could be pointed towards the region in the star background where

Direct Method Transcription for a Human-Class Translunar Injection Trajectory Optimization

NASA Technical Reports Server (NTRS)

Witzberger, Kevin E.; Zeiler, Tom

2012-01-01

This paper presents a new trajectory optimization software package developed in the framework of a low-to-high fidelity 3 degrees-of-freedom (DOF)/6-DOF vehicle simulation program named Mission Analysis Simulation Tool in Fortran (MASTIF) and its application to a translunar trajectory optimization problem. The functionality of the developed optimization package is implemented as a new "mode" in generalized settings to make it applicable for a general trajectory optimization problem. In doing so, a direct optimization method using collocation is employed for solving the problem. Trajectory optimization problems in MASTIF are transcribed to a constrained nonlinear programming (NLP) problem and solved with SNOPT, a commercially available NLP solver. A detailed description of the optimization software developed is provided as well as the transcription specifics for the translunar injection (TLI) problem. The analysis includes a 3-DOF trajectory TLI optimization and a 3-DOF vehicle TLI simulation using closed-loop guidance.

75 FR 8749 - Dwayne LaFrantz Wilson, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-25

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Dwayne LaFrantz Wilson, M.D.; Revocation of... Enforcement Administration, issued an Order to Show Cause to Dwayne LaFrantz Wilson, M.D. (Respondent), of... Registration, BW6030857, issued to Dwayne LaFrantz Wilson, M.D., be, and it hereby is, revoked. I further order...

Comparative Analysis of VLF Signal Variation along Trajectory Induced by X-ray Solar Flares

NASA Astrophysics Data System (ADS)

Kolarski, A.; Grubor, D.

2015-12-01

Comparative qualitative analysis of amplitude and phase delay variations was carried out along the trajectory of GQD/22.1 kHz and NAA/24.0 kHz VLF signal traces, propagating from Skelton (UK) and Maine (USA) toward Belgrade, induced by four isolated solar X-ray flare events occurred during the period from September 2005 to December 2006. For monitoring, recording and for storage of VLF data at the Institute of Physics in Belgrade, Serbia, the AbsPAL system was used. For modeling purposes of propagating conditions along GQD and NAA signal propagation paths, LWPCv21 program code was used. Occurred solar flare events induced lower ionosphere electron density height profile changes, causing perturbations in VLF wave propagation within Earth-ionosphere waveguides. As analyzed VLF signals characterize by different propagation parameters along trajectories from their transmitters to the Belgrade receiver site, their propagation is affected in different ways for different solar flare events and also for the same solar flare events.

Mortality trajectory analysis reveals the drivers of sex-specific epidemiology in natural wildlife–disease interactions

PubMed Central

McDonald, Jennifer L.; Smith, Graham C.; McDonald, Robbie A.; Delahay, Richard J.; Hodgson, Dave

2014-01-01

In animal populations, males are commonly more susceptible to disease-induced mortality than females. However, three competing mechanisms can cause this sex bias: weak males may simultaneously be more prone to exposure to infection and mortality; being ‘male’ may be an imperfect proxy for the underlying driver of disease-induced mortality; or males may experience increased severity of disease-induced effects compared with females. Here, we infer the drivers of sex-specific epidemiology by decomposing fixed mortality rates into mortality trajectories and comparing their parameters. We applied Bayesian survival trajectory analysis to a 22-year longitudinal study of a population of badgers (Meles meles) naturally infected with bovine tuberculosis (bTB). At the point of infection, infected male and female badgers had equal mortality risk, refuting the hypothesis that acquisition of infection occurs in males with coincidentally high mortality. Males and females exhibited similar levels of heterogeneity in mortality risk, refuting the hypothesis that maleness is only a proxy for disease susceptibility. Instead, sex differences were caused by a more rapid increase in male mortality rates following infection. Males are indeed more susceptible to bTB, probably due to immunological differences between the sexes. We recommend this mortality trajectory approach for the study of infection in animal populations. PMID:25056621

Evaluation of bacterial run and tumble motility parameters through trajectory analysis

NASA Astrophysics Data System (ADS)

Liang, Xiaomeng; Lu, Nanxi; Chang, Lin-Ching; Nguyen, Thanh H.; Massoudieh, Arash

2018-04-01

In this paper, a method for extraction of the behavior parameters of bacterial migration based on the run and tumble conceptual model is described. The methodology is applied to the microscopic images representing the motile movement of flagellated Azotobacter vinelandii. The bacterial cells are considered to change direction during both runs and tumbles as is evident from the movement trajectories. An unsupervised cluster analysis was performed to fractionate each bacterial trajectory into run and tumble segments, and then the distribution of parameters for each mode were extracted by fitting mathematical distributions best representing the data. A Gaussian copula was used to model the autocorrelation in swimming velocity. For both run and tumble modes, Gamma distribution was found to fit the marginal velocity best, and Logistic distribution was found to represent better the deviation angle than other distributions considered. For the transition rate distribution, log-logistic distribution and log-normal distribution, respectively, was found to do a better job than the traditionally agreed exponential distribution. A model was then developed to mimic the motility behavior of bacteria at the presence of flow. The model was applied to evaluate its ability to describe observed patterns of bacterial deposition on surfaces in a micro-model experiment with an approach velocity of 200 μm/s. It was found that the model can qualitatively reproduce the attachment results of the micro-model setting.

Trajectory Control of Rendezvous with Maneuver Target Spacecraft

NASA Technical Reports Server (NTRS)

Zhou, Zhinqiang

2012-01-01

In this paper, a nonlinear trajectory control algorithm of rendezvous with maneuvering target spacecraft is presented. The disturbance forces on the chaser and target spacecraft and the thrust forces on the chaser spacecraft are considered in the analysis. The control algorithm developed in this paper uses the relative distance and relative velocity between the target and chaser spacecraft as the inputs. A general formula of reference relative trajectory of the chaser spacecraft to the target spacecraft is developed and applied to four different proximity maneuvers, which are in-track circling, cross-track circling, in-track spiral rendezvous and cross-track spiral rendezvous. The closed-loop differential equations of the proximity relative motion with the control algorithm are derived. It is proven in the paper that the tracking errors between the commanded relative trajectory and the actual relative trajectory are bounded within a constant region determined by the control gains. The prediction of the tracking errors is obtained. Design examples are provided to show the implementation of the control algorithm. The simulation results show that the actual relative trajectory tracks the commanded relative trajectory tightly. The predicted tracking errors match those calculated in the simulation results. The control algorithm developed in this paper can also be applied to interception of maneuver target spacecraft and relative trajectory control of spacecraft formation flying.

High Speed Solution of Spacecraft Trajectory Problems Using Taylor Series Integration

NASA Technical Reports Server (NTRS)

Scott, James R.; Martini, Michael C.

2008-01-01

Taylor series integration is implemented in a spacecraft trajectory analysis code-the Spacecraft N-body Analysis Program (SNAP) - and compared with the code s existing eighth-order Runge-Kutta Fehlberg time integration scheme. Nine trajectory problems, including near Earth, lunar, Mars and Europa missions, are analyzed. Head-to-head comparison at five different error tolerances shows that, on average, Taylor series is faster than Runge-Kutta Fehlberg by a factor of 15.8. Results further show that Taylor series has superior convergence properties. Taylor series integration proves that it can provide rapid, highly accurate solutions to spacecraft trajectory problems.

Trajectories of Martian Habitability

PubMed Central

2014-01-01

Abstract Beginning from two plausible starting points—an uninhabited or inhabited Mars—this paper discusses the possible trajectories of martian habitability over time. On an uninhabited Mars, the trajectories follow paths determined by the abundance of uninhabitable environments and uninhabited habitats. On an inhabited Mars, the addition of a third environment type, inhabited habitats, results in other trajectories, including ones where the planet remains inhabited today or others where planetary-scale life extinction occurs. By identifying different trajectories of habitability, corresponding hypotheses can be described that allow for the various trajectories to be disentangled and ultimately a determination of which trajectory Mars has taken and the changing relative abundance of its constituent environments. Key Words: Mars—Habitability—Liquid water—Planetary science. Astrobiology 14, 182–203. PMID:24506485

Video-tracker trajectory analysis: who meets whom, when and where

NASA Astrophysics Data System (ADS)

Jäger, U.; Willersinn, D.

2010-04-01

Unveiling unusual or hostile events by observing manifold moving persons in a crowd is a challenging task for human operators, especially when sitting in front of monitor walls for hours. Typically, hostile events are rare. Thus, due to tiredness and negligence the operator may miss important events. In such situations, an automatic alarming system is able to support the human operator. The system incorporates a processing chain consisting of (1) people tracking, (2) event detection, (3) data retrieval, and (4) display of relevant video sequence overlaid by highlighted regions of interest. In this paper we focus on the event detection stage of the processing chain mentioned above. In our case, the selected event of interest is the encounter of people. Although being based on a rather simple trajectory analysis, this kind of event embodies great practical importance because it paves the way to answer the question "who meets whom, when and where". This, in turn, forms the basis to detect potential situations where e.g. money, weapons, drugs etc. are handed over from one person to another in crowded environments like railway stations, airports or busy streets and places etc.. The input to the trajectory analysis comes from a multi-object video-based tracking system developed at IOSB which is able to track multiple individuals within a crowd in real-time [1]. From this we calculate the inter-distances between all persons on a frame-to-frame basis. We use a sequence of simple rules based on the individuals' kinematics to detect the event mentioned above to output the frame number, the persons' IDs from the tracker and the pixel coordinates of the meeting position. Using this information, a data retrieval system may extract the corresponding part of the recorded video image sequence and finally allows for replaying the selected video clip with a highlighted region of interest to attract the operator's attention for further visual inspection.

Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: the myoglobin case.

PubMed

Papaleo, Elena; Mereghetti, Paolo; Fantucci, Piercarlo; Grandori, Rita; De Gioia, Luca

2009-01-01

Several molecular dynamics (MD) simulations were used to sample conformations in the neighborhood of the native structure of holo-myoglobin (holo-Mb), collecting trajectories spanning 0.22 micros at 300 K. Principal component (PCA) and free-energy landscape (FEL) analyses, integrated by cluster analysis, which was performed considering the position and structures of the individual helices of the globin fold, were carried out. The coherence between the different structural clusters and the basins of the FEL, together with the convergence of parameters derived by PCA indicates that an accurate description of the Mb conformational space around the native state was achieved by multiple MD trajectories spanning at least 0.14 micros. The integration of FEL, PCA, and structural clustering was shown to be a very useful approach to gain an overall view of the conformational landscape accessible to a protein and to identify representative protein substates. This method could be also used to investigate the conformational and dynamical properties of Mb apo-, mutant, or delete versions, in which greater conformational variability is expected and, therefore identification of representative substates from the simulations is relevant to disclose structure-function relationship.

Analysis of Trajectory Flexibility Preservation Impact on Traffic Complexity

NASA Technical Reports Server (NTRS)

Idris, Husni; El-Wakil, Tarek; Wing, David J.

2009-01-01

The growing demand for air travel is increasing the need for mitigation of air traffic congestion and complexity problems, which are already at high levels. At the same time new information and automation technologies are enabling the distribution of tasks and decisions from the service providers to the users of the air traffic system, with potential capacity and cost benefits. This distribution of tasks and decisions raises the concern that independent user actions will decrease the predictability and increase the complexity of the traffic system, hence inhibiting and possibly reversing any potential benefits. In answer to this concern, the authors proposed the introduction of decision-making metrics for preserving user trajectory flexibility. The hypothesis is that such metrics will make user actions naturally mitigate traffic complexity. In this paper, the impact of using these metrics on traffic complexity is investigated. The scenarios analyzed include aircraft in en route airspace with each aircraft meeting a required time of arrival in a one-hour time horizon while mitigating the risk of loss of separation with the other aircraft, thus preserving its trajectory flexibility. The experiments showed promising results in that the individual trajectory flexibility preservation induced self-separation and self-organization effects in the overall traffic situation. The effects were quantified using traffic complexity metrics, namely dynamic density indicators, which indicated that using the flexibility metrics reduced aircraft density and the potential of loss of separation.

Trajectories of depressive symptoms among high risk African-American adolescents.

PubMed

Repetto, Paula B; Caldwell, Cleopatra H; Zimmerman, Marc A

2004-12-01

To examine the trajectories of depressive symptoms among African-American youth and the psychosocial factors associated with these trajectories. The sample included 579 African-American adolescents who were at risk of dropping out of school, interviewed annually starting from ninth grade for 4 years. The measures included depressive symptoms, anxiety symptoms, self-esteem, stress, and active coping; all self-reported. We used cluster analysis to develop longitudinal trajectories of depression in our sample. Four different trajectories of depressive symptoms were found that represented the changes in depressive symptoms among the participants. These trajectories are: consistently high (15.9%), consistently low (21.1%), decreasing (41.8%), and increasing (21.2%) depressive symptoms. The results from the comparisons of the trajectories indicated that adolescents who presented consistently high levels of depressive symptoms were more likely to be female, reported more anxiety symptoms, lower self-esteem, higher stress, and lower grade point average (GPA) compared with adolescent members of the other trajectories. Depressive symptoms may be manifested in different ways according to the patterns of change. Different correlates are associated with these trajectories of depressive symptoms and provide insights about the antecedents and consequences of the patterns of change in depressive symptoms.

76 FR 20034 - Calvin Ramsey, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-11

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 10-25] Calvin Ramsey, M.D... Control, Drug Enforcement Administration, issued an Order to Show Cause to Calvin Ramsey, M.D. (Respondent.... Respondent's Resp., at 1. Therein, Respondent asserted that ``[d]ue process dictates that this Court must...

77 FR 37068 - Muzaffer Aslan, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-20

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Muzaffer Aslan, M.D.; Decision and Order On... Cause and Immediate Suspension of Registration to Muzaffer Aslan, M.D. (hereinafter, Respondent), of Los....C. 824, of the CSA. Calvin Ramsey, 76 FR 20034, 20036 (2011) (other citations omitted); Brenton D...

Uncertainty Optimization Applied to the Monte Carlo Analysis of Planetary Entry Trajectories

NASA Technical Reports Server (NTRS)

Olds, John; Way, David

2001-01-01

Recently, strong evidence of liquid water under the surface of Mars and a meteorite that might contain ancient microbes have renewed interest in Mars exploration. With this renewed interest, NASA plans to send spacecraft to Mars approx. every 26 months. These future spacecraft will return higher-resolution images, make precision landings, engage in longer-ranging surface maneuvers, and even return Martian soil and rock samples to Earth. Future robotic missions and any human missions to Mars will require precise entries to ensure safe landings near science objective and pre-employed assets. Potential sources of water and other interesting geographic features are often located near hazards, such as within craters or along canyon walls. In order for more accurate landings to be made, spacecraft entering the Martian atmosphere need to use lift to actively control the entry. This active guidance results in much smaller landing footprints. Planning for these missions will depend heavily on Monte Carlo analysis. Monte Carlo trajectory simulations have been used with a high degree of success in recent planetary exploration missions. These analyses ascertain the impact of off-nominal conditions during a flight and account for uncertainty. Uncertainties generally stem from limitations in manufacturing tolerances, measurement capabilities, analysis accuracies, and environmental unknowns. Thousands of off-nominal trajectories are simulated by randomly dispersing uncertainty variables and collecting statistics on forecast variables. The dependability of Monte Carlo forecasts, however, is limited by the accuracy and completeness of the assumed uncertainties. This is because Monte Carlo analysis is a forward driven problem; beginning with the input uncertainties and proceeding to the forecasts outputs. It lacks a mechanism to affect or alter the uncertainties based on the forecast results. If the results are unacceptable, the current practice is to use an iterative, trial

Romantic attraction and adolescent smoking trajectories.

PubMed

Pollard, Michael S; Tucker, Joan S; Green, Harold D; Kennedy, David P; Go, Myong-Hyun

2011-12-01

Research on sexual orientation and substance use has established that lesbian, gay, and bisexual (LGB) individuals are more likely to smoke than heterosexuals. This analysis furthers the examination of smoking behaviors across sexual orientation groups by describing how same- and opposite-sex romantic attraction, and changes in romantic attraction, are associated with distinct six-year developmental trajectories of smoking. The National Longitudinal Study of Adolescent Health dataset is used to test our hypotheses. Multinomial logistic regressions predicting smoking trajectory membership as a function of romantic attraction were separately estimated for men and women. Romantic attraction effects were found only for women. The change from self-reported heterosexual attraction to lesbian or bisexual attraction was more predictive of higher smoking trajectories than was a consistent lesbian or bisexual attraction, with potentially important differences between the smoking patterns of these two groups. Copyright © 2011 Elsevier Ltd. All rights reserved.

Developing the MD Explorer

NASA Astrophysics Data System (ADS)

Howie, Philip V.

1993-04-01

The MD Explorer is an eight-seat twin-turbine engine helicopter which is being developed using integrated product definition (IPD) team methodology. New techniques include NOTAR antitorque system for directional control, a composite fuselage, an all-composite bearingless main rotor, and digital cockpit displays. Three-dimensional CAD models are the basis of the entire Explorer design. Solid models provide vendor with design clarification, removing much of the normal drawing interpretation errors.

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

A Final Approach Trajectory Model for Current Operations

NASA Technical Reports Server (NTRS)

Gong, Chester; Sadovsky, Alexander

2010-01-01

Predicting accurate trajectories with limited intent information is a challenge faced by air traffic management decision support tools in operation today. One such tool is the FAA's Terminal Proximity Alert system which is intended to assist controllers in maintaining safe separation of arrival aircraft during final approach. In an effort to improve the performance of such tools, two final approach trajectory models are proposed; one based on polynomial interpolation, the other on the Fourier transform. These models were tested against actual traffic data and used to study effects of the key final approach trajectory modeling parameters of wind, aircraft type, and weight class, on trajectory prediction accuracy. Using only the limited intent data available to today's ATM system, both the polynomial interpolation and Fourier transform models showed improved trajectory prediction accuracy over a baseline dead reckoning model. Analysis of actual arrival traffic showed that this improved trajectory prediction accuracy leads to improved inter-arrival separation prediction accuracy for longer look ahead times. The difference in mean inter-arrival separation prediction error between the Fourier transform and dead reckoning models was 0.2 nmi for a look ahead time of 120 sec, a 33 percent improvement, with a corresponding 32 percent improvement in standard deviation.

The Pribram, Lost City, Innisfree, and Neuschwanstein falls: An analysis of the atmospheric trajectories

NASA Astrophysics Data System (ADS)

Gritsevich, M. I.

2008-10-01

To date, several meteorites have been found for which their flight in the atmosphere was recorded by special fireball camera networks. Because of this, a thorough analysis of the instrumentally registered falls is of current importance. For such fireballs, not only the high-quality photo images of the motion in the atmosphere exist, but also the density and the shape of the meteor body fragments reached the Earth’s surface are known for sure. In the present study, for the Innisfree, Lost City, and Pribram fireballs, new models of the entry to the atmosphere have been built. The values of the ballistic coefficient and the mass-loss parameter providing the best approximation for the observations of the luminous trajectory segment with the analytical solution of the meteor physics equations have been obtained. From recent results of the numerical experiments on the supersonic airflow of bodies of various shapes, the preatmospheric masses of the fireballs, as well as the dynamic estimates of the mass at the other trajectory points, were obtained. In particular, the terminal mass of the fireballs in the lower segment of the analyzed trajectories is in good agreement with the total mass of the meteorite material recovered in all of the cases considered. Moreover, to calculate the acceleration of the meteor bodies, a new analytical formula has been suggested, which allows the obtained theoretical time dependencies of the velocity and altitude to be compared with the observational data.

Stratal Control Volumes and Stratal Control Trajectories: A New Method to Constrain, Understand and Reconcile Results from Stratigraphic Outcrop Analysis, Subsurface Analysis and Analogue and Numerical Modelling

NASA Astrophysics Data System (ADS)

Burgess, P. M.; Steel, R. J.

2016-12-01

Decoding a history of Earth's surface dynamics from strata requires robust quantitative understanding of supply and accommodation controls. The concept of stratigraphic solution sets has proven useful in this decoding, but application and development of this approach has so far been surprisingly limited. Stratal control volumes, areas and trajectories are new approaches defined here, building on previous ideas about stratigraphic solution sets, to help analyse and understand the sedimentary record of Earth surface dynamics. They may have particular application reconciling results from outcrop and subsurface analysis with results from analogue and numerical experiments. Stratal control volumes are sets of points in a three-dimensional volume, with axes of subsidence, sediment supply and eustatic rates of change, populated with probabilities derived from analysis of subsidence, supply and eustasy timeseries (Figure 1). These empirical probabilities indicate the likelihood of occurrence of any particular combination of control rates defined by any point in the volume. The stratal control volume can then by analysed to determine which parts of the volume represent relative sea-level fall and rise, where in the volume particular stacking patterns will occur, and how probable those stacking patterns are. For outcrop and subsurface analysis, using a stratal control area with eustasy and subsidence combined on a relative sea-level axis allows similar analysis, and may be preferable. A stratal control trajectory is a history of supply and accommodation creation rates, interpreted from outcrop or subsurface data, or observed in analogue and numerical experiments, and plotted as a series of linked points forming a trajectory through the stratal control volume (Figure 1) or area. Three examples are presented, one from outcrop and two theoretical. Much work remains to be done to build a properly representative database of stratal controls, but careful comparison of stratal

76 FR 71370 - Silviu Ziscovici, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-17

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 11-3] Silviu Ziscovici, M.D.; Decision and Order On December 10, 2010, Administrative Law Judge (ALJ) Timothy D. Wing, issued the... Certificate of Registration, BZ4692756, issued to Silviu Ziscovici, M.D., be, and it hereby is, revoked. I...

Analysis of direct transfer trajectories from LL2 halo orbits to LLOs

NASA Astrophysics Data System (ADS)

Cao, Pengfei; He, Boyong; Li, Haiyang

2017-09-01

A convenient procedure for designing the direct transfer trajectory from lunar L2 point (LL2) halo orbit to a low lunar orbit (LLO) is presented in this paper. The trajectory characteristics are analyzed to support the manned lunar missions design aimed at lunar surface global access. The concise procedure is established based on the circular restricted three-body problem (CR3BP) model. An analytical algorithm is employed to estimate an initial maneuver vector for approaching the Moon in its close vicinity. An iteration process is adopted to generate favorable trajectory that satisfies the constraints at perilune. By introducing a number of intermediate coordinate frames, an algorithm to compute the arriving LLO inclination and right ascension of ascending node (RAAN) is proposed. The orbital inclination and RAAN in this paper are defined and established in the J2000 frame rather than in the synodical frame. Numerical results show that, regardless of value of out-of-plane amplitude (Az) of the halo orbit, the overall maneuver cost of the trajectory largely depends on departure position, and it has two minima around 0.65 km/s. Further study shows that the values of the arriving LLO inclination and RAAN largely depend on the choices of the departure time and the value of Az. The periodicity, due to the natural motion of the Moon, is discovered to play a role in this time dependency. It is concluded that the fuel optimal trajectory permits access to almost any final lunar orbit, including a polar orbit, by means of varying the departure time and Az value.

Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories.

PubMed

Zhang, Jun; Yang, Y Isaac; Yang, Lijiang; Gao, Yi Qin

2015-11-12

High potential energy barriers and engagement of solvent coordinates set challenges for in silico studies of chemical reactions, and one is quite commonly limited to study reactions along predefined reaction coordinate(s). A systematic protocol, QM/MM MD simulations using enhanced sampling of reactive trajectories (ESoRT), is established to quantitatively study chemical transitions in complex systems. A number of trajectories for Claisen rearrangement in water and toluene were collected and analyzed, respectively. Evidence was found that the bond making and breaking during this reaction are concerted processes in solutions, preferentially through a chairlike configuration. Water plays an important dynamic role that helps stabilize the transition sate, and the dipole-dipole interaction between water and the solute also lowers the transition barrier. The calculated rate coefficient is consistent with the experimental measurement. Compared with water, the reaction pathway in toluene is "narrower" and the reaction rate is slower by almost three orders of magnitude due to the absence of proper interactions to stabilize the transition state. This study suggests that the "in-water" nature of the Claisen rearrangement in aqueous solution influences its thermodynamics, kinetics, as well as dynamics.

Slow dynamics of a protein backbone in molecular dynamics simulation revealed by time-structure based independent component analysis

NASA Astrophysics Data System (ADS)

Naritomi, Yusuke; Fuchigami, Sotaro

2013-12-01

We recently proposed the method of time-structure based independent component analysis (tICA) to examine the slow dynamics involved in conformational fluctuations of a protein as estimated by molecular dynamics (MD) simulation [Y. Naritomi and S. Fuchigami, J. Chem. Phys. 134, 065101 (2011)]. Our previous study focused on domain motions of the protein and examined its dynamics by using rigid-body domain analysis and tICA. However, the protein changes its conformation not only through domain motions but also by various types of motions involving its backbone and side chains. Some of these motions might occur on a slow time scale: we hypothesize that if so, we could effectively detect and characterize them using tICA. In the present study, we investigated slow dynamics of the protein backbone using MD simulation and tICA. The selected target protein was lysine-, arginine-, ornithine-binding protein (LAO), which comprises two domains and undergoes large domain motions. MD simulation of LAO in explicit water was performed for 1 μs, and the obtained trajectory of Cα atoms in the backbone was analyzed by tICA. This analysis successfully provided us with slow modes for LAO that represented either domain motions or local movements of the backbone. Further analysis elucidated the atomic details of the suggested local motions and confirmed that these motions truly occurred on the expected slow time scale.

Spatio-Temporal Pattern Mining on Trajectory Data Using Arm

NASA Astrophysics Data System (ADS)

Khoshahval, S.; Farnaghi, M.; Taleai, M.

2017-09-01

Preliminary mobile was considered to be a device to make human connections easier. But today the consumption of this device has been evolved to a platform for gaming, web surfing and GPS-enabled application capabilities. Embedding GPS in handheld devices, altered them to significant trajectory data gathering facilities. Raw GPS trajectory data is a series of points which contains hidden information. For revealing hidden information in traces, trajectory data analysis is needed. One of the most beneficial concealed information in trajectory data is user activity patterns. In each pattern, there are multiple stops and moves which identifies users visited places and tasks. This paper proposes an approach to discover user daily activity patterns from GPS trajectories using association rules. Finding user patterns needs extraction of user's visited places from stops and moves of GPS trajectories. In order to locate stops and moves, we have implemented a place recognition algorithm. After extraction of visited points an advanced association rule mining algorithm, called Apriori was used to extract user activity patterns. This study outlined that there are useful patterns in each trajectory that can be emerged from raw GPS data using association rule mining techniques in order to find out about multiple users' behaviour in a system and can be utilized in various location-based applications.

Night glucose control with MD-Logic artificial pancreas in home setting: a single blind, randomized crossover trial-interim analysis.

PubMed

Nimri, Revital; Muller, Ido; Atlas, Eran; Miller, Shahar; Kordonouri, Olga; Bratina, Natasa; Tsioli, Christiana; Stefanija, Magdalena A; Danne, Thomas; Battelino, Tadej; Phillip, Moshe

2014-03-01

Artificial pancreas (AP) systems have shown an improvement in glucose control and a reduced risk of nocturnal hypoglycemia under controlled conditions but remain to be evaluated under daily-life conditions. To assess the feasibility, safety, and efficacy of the MD-Logic AP in controlling nocturnal glucose levels in the patient's home. Two-arm study, each covering four consecutive nights comparing the MD-Logic AP ('closed-loop' arm) with sensor-augmented pump therapy ('control' arm). Fifteen patients (mean age 19 ± 10.4 yr, A1c 7.5 ± 0.5% or 58 ± 5.9 mmol/mol, diabetes duration 9.9 ± 8.2 yr) were randomly assigned either to 'Group A' (first 'closed-loop', then 'control' arm) or to 'Group B' (vice versa). Investigators were masked to treatment intervention. Primary endpoints were the time spent with glucose levels below 70 mg/dL and the percentage of nights in which the mean overnight glucose levels were within 90-140 mg/dL. Endpoint analyses were based on unmodified sensor glucose readings of the four study nights. Time of glucose levels spent below 70 mg/dL was significantly shorter on the closed-loop nights than on control nights, median and interquartile range 3.8 (0, 11.6) and 48.7 (0.6, 67.9) min, respectively; p = 0.0034. The percentage of individual nights in which mean overnight glucose level was within 90-140 mg/dL was 67 (33, 88), and 50 (25, 75), under closed-loop and control nights, respectively, with no statistical difference. Secondary endpoint analyses demonstrated significant improvements in hypoglycemia parameters. No serious adverse events were reported. This interim analysis demonstrates the feasibility, safety, and efficiency of the MD-Logic AP system in home use, and demonstrates an improvement over sensor-augmented pump therapy. (ClinicalTrials.gov identifier NCT01726829). © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Orbit-determination performance of Doppler data for interplanetary cruise trajectories. Part 1: Error analysis methodology

NASA Technical Reports Server (NTRS)

Ulvestad, J. S.; Thurman, S. W.

1992-01-01

An error covariance analysis methodology is used to investigate different weighting schemes for two-way (coherent) Doppler data in the presence of transmission-media and observing-platform calibration errors. The analysis focuses on orbit-determination performance in the interplanetary cruise phase of deep-space missions. Analytical models for the Doppler observable and for transmission-media and observing-platform calibration errors are presented, drawn primarily from previous work. Previously published analytical models were improved upon by the following: (1) considering the effects of errors in the calibration of radio signal propagation through the troposphere and ionosphere as well as station-location errors; (2) modelling the spacecraft state transition matrix using a more accurate piecewise-linear approximation to represent the evolution of the spacecraft trajectory; and (3) incorporating Doppler data weighting functions that are functions of elevation angle, which reduce the sensitivity of the estimated spacecraft trajectory to troposphere and ionosphere calibration errors. The analysis is motivated by the need to develop suitable weighting functions for two-way Doppler data acquired at 8.4 GHz (X-band) and 32 GHz (Ka-band). This weighting is likely to be different from that in the weighting functions currently in use; the current functions were constructed originally for use with 2.3 GHz (S-band) Doppler data, which are affected much more strongly by the ionosphere than are the higher frequency data.

33 CFR 110.71 - Jacobs Nose Cove, Elk River, Md.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 1 2011-07-01 2011-07-01 false Jacobs Nose Cove, Elk River, Md. 110.71 Section 110.71 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71 Jacobs Nose Cove, Elk River, Md. The water...

33 CFR 110.71 - Jacobs Nose Cove, Elk River, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 1 2013-07-01 2013-07-01 false Jacobs Nose Cove, Elk River, Md. 110.71 Section 110.71 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71 Jacobs Nose Cove, Elk River, Md. The water...

33 CFR 110.71 - Jacobs Nose Cove, Elk River, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Jacobs Nose Cove, Elk River, Md. 110.71 Section 110.71 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71 Jacobs Nose Cove, Elk River, Md. The water...

33 CFR 110.71 - Jacobs Nose Cove, Elk River, Md.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 1 2012-07-01 2012-07-01 false Jacobs Nose Cove, Elk River, Md. 110.71 Section 110.71 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71 Jacobs Nose Cove, Elk River, Md. The water...

33 CFR 110.71 - Jacobs Nose Cove, Elk River, Md.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Jacobs Nose Cove, Elk River, Md. 110.71 Section 110.71 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.71 Jacobs Nose Cove, Elk River, Md. The water...

77 FR 24838 - Safety Zone; Magothy River, Sillery Bay, MD

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-26

...-AA00 Safety Zone; Magothy River, Sillery Bay, MD AGENCY: Coast Guard, DHS. ACTION: Final rule. SUMMARY: The Coast Guard is establishing a safety zone in certain waters of the Magothy River, in Sillery Bay... a notice of proposed rulemaking (NPRM) entitled ``Safety Zone; Magothy River, Sillery Bay, MD'' in...

75 FR 30860 - Shepard Ginandes, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-02

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 10-14] Shepard Ginandes, M.D... Administration, issued an Order to Show Cause and Immediate Suspension of Registration to Shepard Ginandes, M.D... right to a hearing.'' Id. (citing 21 CFR 1301.43(d) & (e)). On September 30, 2009, the Order was served...

Mental health trajectories and their embeddedness in work and family circumstances: a latent state-trait approach to life-course trajectories.

PubMed

Cullati, Stéphane; Courvoisier, Delphine S; Burton-Jeangros, Claudine

2014-09-01

Mental health trajectories are known to be influenced by work and family circumstances. However, few studies have examined both of these influences simultaneously in a longitudinal manner. The life-course perspective stresses the importance of examining trajectories in terms of both stable and dynamic components. In this article we use structural equation models (latent state-trait, LST) to distinguish the stable and situational components of mental health trajectories and hypothesise that situational mental health is influenced by satisfaction with work and family, and this effect differs by gender. An analysis of data from a nationally representative sample of 1616 working Swiss residents (2000-2006) shows that mental health trajectories are mostly stable and only slightly sensitive to situational influences. However, situational influences in a given wave do predict situational influences in the next wave. Satisfaction with work and family influences situational mental health in both genders, but the impact is greater for men. In conclusion, the LST approach allows for the examination of mental health trajectories from a life-course perspective by distinguishing stable and situational components. Mental health trajectories are more stable and constant than they are dependent on work and family circumstances, and men are more sensitive to family circumstances than women. © 2014 The Authors. Sociology of Health & Illness © 2014 Foundation for the Sociology of Health & Illness/John Wiley & Sons.

Querying databases of trajectories of differential equations: Data structures for trajectories

NASA Technical Reports Server (NTRS)

Grossman, Robert

1989-01-01

One approach to qualitative reasoning about dynamical systems is to extract qualitative information by searching or making queries on databases containing very large numbers of trajectories. The efficiency of such queries depends crucially upon finding an appropriate data structure for trajectories of dynamical systems. Suppose that a large number of parameterized trajectories gamma of a dynamical system evolving in R sup N are stored in a database. Let Eta is contained in set R sup N denote a parameterized path in Euclidean Space, and let the Euclidean Norm denote a norm on the space of paths. A data structure is defined to represent trajectories of dynamical systems, and an algorithm is sketched which answers queries.

Empirical Model for Predicting Rockfall Trajectory Direction

NASA Astrophysics Data System (ADS)

Asteriou, Pavlos; Tsiambaos, George

2016-03-01

A methodology for the experimental investigation of rockfall in three-dimensional space is presented in this paper, aiming to assist on-going research of the complexity of a block's response to impact during a rockfall. An extended laboratory investigation was conducted, consisting of 590 tests with cubical and spherical blocks made of an artificial material. The effects of shape, slope angle and the deviation of the post-impact trajectory are examined as a function of the pre-impact trajectory direction. Additionally, an empirical model is proposed that estimates the deviation of the post-impact trajectory as a function of the pre-impact trajectory with respect to the slope surface and the slope angle. This empirical model is validated by 192 small-scale field tests, which are also presented in this paper. Some important aspects of the three-dimensional nature of rockfall phenomena are highlighted that have been hitherto neglected. The 3D space data provided in this study are suitable for the calibration and verification of rockfall analysis software that has become increasingly popular in design practice.

Investigation of water droplet trajectories within the NASA icing research tunnel

NASA Technical Reports Server (NTRS)

Reehorst, Andrew; Ibrahim, Mounir

1995-01-01

Water droplet trajectories within the NASA Lewis Research Center's Icing Research Tunnel (IRT) were studied through computer analysis. Of interest was the influence of the wind tunnel contraction and wind tunnel model blockage on the water droplet trajectories. The computer analysis was carried out with a program package consisting of a three-dimensional potential panel code and a three-dimensional droplet trajectory code. The wind tunnel contraction was found to influence the droplet size distribution and liquid water content distribution across the test section from that at the inlet. The wind tunnel walls were found to have negligible influence upon the impingement of water droplets upon a wing model.

Cummins MD & HD Accessory Hybridization CRADA -Annual Report FY15

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

Deter, Dean D.

2015-10-01

There are many areas of MD and HD vehicles that can be improved by new technologies and optimized control strategies. Component optimization and idle reduction need to be addressed, this is best done by a two part approach that includes selecting the best component technology, and/or architecture, and optimized controls that are vehicle focused. While this is a common focus in the light duty industry it has been gaining momentum in the MD and HD market as the market gets more competitive and the regulations become more stringent. When looking into systems optimization and idle reduction technologies, affected vehicle systemsmore » must first be considered, and if possible included in the new architecture to get the most benefit out of these new capabilities. Typically, when looking into idle reduction or component optimization for MD/HD, the vehicle s accessories become a prime candidate for electrification or hybridization. While this has already been studied on light duty vehicles (especially on hybrids and electric vehicles) it has not made any head way or market penetration in most MD and HD applications. If hybrids and electric MD and HD vehicles begin to break into the market this would be a necessary step into the ability to make those vehicles successful by allowing for independent, optimized operation separate from the engine.« less

An incremental DPMM-based method for trajectory clustering, modeling, and retrieval.

PubMed

Hu, Weiming; Li, Xi; Tian, Guodong; Maybank, Stephen; Zhang, Zhongfei

2013-05-01

Trajectory analysis is the basis for many applications, such as indexing of motion events in videos, activity recognition, and surveillance. In this paper, the Dirichlet process mixture model (DPMM) is applied to trajectory clustering, modeling, and retrieval. We propose an incremental version of a DPMM-based clustering algorithm and apply it to cluster trajectories. An appropriate number of trajectory clusters is determined automatically. When trajectories belonging to new clusters arrive, the new clusters can be identified online and added to the model without any retraining using the previous data. A time-sensitive Dirichlet process mixture model (tDPMM) is applied to each trajectory cluster for learning the trajectory pattern which represents the time-series characteristics of the trajectories in the cluster. Then, a parameterized index is constructed for each cluster. A novel likelihood estimation algorithm for the tDPMM is proposed, and a trajectory-based video retrieval model is developed. The tDPMM-based probabilistic matching method and the DPMM-based model growing method are combined to make the retrieval model scalable and adaptable. Experimental comparisons with state-of-the-art algorithms demonstrate the effectiveness of our algorithm.

Trajectory Design Tools for Libration and Cis-Lunar Environments

NASA Technical Reports Server (NTRS)

Folta, David C.; Webster, Cassandra M.; Bosanac, Natasha; Cox, Andrew; Guzzetti, Davide; Howell, Kathleen C.

2016-01-01

Innovative trajectory design tools are required to support challenging multi-body regimes with complex dynamics, uncertain perturbations, and the integration of propulsion influences. Two distinctive tools, Adaptive Trajectory Design and the General Mission Analysis Tool have been developed and certified to provide the astrodynamics community with the ability to design multi-body trajectories. In this paper we discuss the multi-body design process and the capabilities of both tools. Demonstrable applications to confirmed missions, the Lunar IceCube Cubesat lunar mission and the Wide-Field Infrared Survey Telescope (WFIRST) Sun-Earth L2 mission, are presented.

Symptom recovery after thoracic surgery: Measuring patient-reported outcomes with the MD Anderson Symptom Inventory.

PubMed

Fagundes, Christopher P; Shi, Qiuling; Vaporciyan, Ara A; Rice, David C; Popat, Keyuri U; Cleeland, Charles S; Wang, Xin Shelley

2015-09-01

Measuring patient-reported outcomes (PROs) has become increasingly important for assessing quality of care and guiding patient management. However, PROs have yet to be integrated with traditional clinical outcomes (such as length of hospital stay), to evaluate perioperative care. This study aimed to use longitudinal PRO assessments to define the postoperative symptom recovery trajectory in patients undergoing thoracic surgery for lung cancer. Newly diagnosed patients (N = 60) with stage I or II non-small cell lung cancer who underwent either standard open thoracotomy or video-assisted thoracoscopic surgery lobectomy reported multiple symptoms from before surgery to 3 months after surgery, using the MD Anderson Symptom Inventory. We conducted Kaplan-Meier analyses to determine when symptoms returned to presurgical levels and to mild-severity levels during recovery. The most-severe postoperative symptoms were fatigue, pain, shortness of breath, disturbed sleep, and drowsiness. The median time to return to mild symptom severity for these 5 symptoms was shorter than the time to return to baseline severity, with fatigue taking longer. Recovery from pain occurred more quickly for patients who underwent lobectomy versus thoracotomy (8 vs 18 days, respectively; P = .022). Patients who had poor preoperative performance status or comorbidities reported higher postoperative pain (all P < .05). Assessing symptoms from the patient's perspective throughout the postoperative recovery period is an effective strategy for evaluating perioperative care. This study demonstrates that the MD Anderson Symptom Inventory is a sensitive tool for detecting symptomatic recovery, with an expected relationship among surgery type, preoperative performance status, and comorbid conditions. Copyright © 2015 The American Association for Thoracic Surgery. Published by Elsevier Inc. All rights reserved.

Lunar Landing Trajectory Design for Onboard Hazard Detection and Avoidance

NASA Technical Reports Server (NTRS)

Paschall, Steve; Brady, Tye; Sostaric, Ron

2009-01-01

The Autonomous Landing and Hazard Avoidance Technology (ALHAT) Project is developing the software and hardware technology needed to support a safe and precise landing for the next generation of lunar missions. ALHAT provides this capability through terrain-relative navigation measurements to enhance global-scale precision, an onboard hazard detection system to select safe landing locations, and an Autonomous Guidance, Navigation, and Control (AGNC) capability to process these measurements and safely direct the vehicle to a landing location. This paper focuses on the key trajectory design issues relevant to providing an onboard Hazard Detection and Avoidance (HDA) capability for the lander. Hazard detection can be accomplished by the crew visually scanning the terrain through a window, a sensor system imaging the terrain, or some combination of both. For ALHAT, this hazard detection activity is provided by a sensor system, which either augments the crew s perception or entirely replaces the crew in the case of a robotic landing. Detecting hazards influences the trajectory design by requiring the proper perspective, range to the landing site, and sufficient time to view the terrain. Following this, the trajectory design must provide additional time to process this information and make a decision about where to safely land. During the final part of the HDA process, the trajectory design must provide sufficient margin to enable a hazard avoidance maneuver. In order to demonstrate the effects of these constraints on the landing trajectory, a tradespace of trajectory designs was created for the initial ALHAT Design Analysis Cycle (ALDAC-1) and each case evaluated with these HDA constraints active. The ALHAT analysis process, described in this paper, narrows down this tradespace and subsequently better defines the trajectory design needed to support onboard HDA. Future ALDACs will enhance this trajectory design by balancing these issues and others in an overall system

33 CFR 110.70a - Northeast River, North East, Md.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 1 2011-07-01 2011-07-01 false Northeast River, North East, Md. 110.70a Section 110.70a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.70a Northeast River, North East, Md. The water...

33 CFR 110.70a - Northeast River, North East, Md.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 1 2013-07-01 2013-07-01 false Northeast River, North East, Md. 110.70a Section 110.70a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.70a Northeast River, North East, Md. The water...

33 CFR 110.70a - Northeast River, North East, Md.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Northeast River, North East, Md. 110.70a Section 110.70a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.70a Northeast River, North East, Md. The water...

33 CFR 110.70a - Northeast River, North East, Md.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 1 2012-07-01 2012-07-01 false Northeast River, North East, Md. 110.70a Section 110.70a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.70a Northeast River, North East, Md. The water...

33 CFR 110.70a - Northeast River, North East, Md.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Northeast River, North East, Md. 110.70a Section 110.70a Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Special Anchorage Areas § 110.70a Northeast River, North East, Md. The water...

76 FR 71374 - Joseph Giacchino, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-17

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 10-54] Joseph Giacchino, M.D.; Decision and Order On July 9, 2010, Administrative Law Judge (ALJ) Timothy D. Wing, issued the attached... prevail. See, e.g., Bourne Pharmacy, 72 FR 18,273, 18,274 (2007); Agostino Carlucci, M.D., 49 FR 33,184...

Multiple Trajectories of Successful Aging of Older and Younger Cohorts

ERIC Educational Resources Information Center

Hsu, Hui-Chuan; Jones, Bobby L.

2012-01-01

Purpose: The purpose of this study was to apply group-based trajectory analysis to identify multiple successful aging trajectories by multiple indicators and to examine the factors related to successful aging among the elderly population in Taiwan. Design and Methods: Nation-representative longitudinal data collected from 1993 to 2007 and…

Four-body trajectory optimization

NASA Technical Reports Server (NTRS)

Pu, C. L.; Edelbaum, T. N.

1973-01-01

A collection of typical three-body trajectories from the L1 libration point on the sun-earth line to the earth is presented. These trajectories in the sun-earth system are grouped into four distinct families which differ in transfer time and delta V requirements. Curves showing the variations of delta V with respect to transfer time, and typical two and three-impulse primer vector histories, are included. The development of a four-body trajectory optimization program to compute fuel optimal trajectories between the earth and a point in the sun-earth-moon system are also discussed. Methods for generating fuel optimal two-impulse trajectories which originate at the earth or a point in space, and fuel optimal three-impulse trajectories between two points in space, are presented. A brief qualitative comparison of these methods is given. An example of a four-body two-impulse transfer from the Li libration point to the earth is included.

Reaction trajectory revealed by a joint analysis of protein data bank.

PubMed

Ren, Zhong

2013-01-01

Structural motions along a reaction pathway hold the secret about how a biological macromolecule functions. If each static structure were considered as a snapshot of the protein molecule in action, a large collection of structures would constitute a multidimensional conformational space of an enormous size. Here I present a joint analysis of hundreds of known structures of human hemoglobin in the Protein Data Bank. By applying singular value decomposition to distance matrices of these structures, I demonstrate that this large collection of structural snapshots, derived under a wide range of experimental conditions, arrange orderly along a reaction pathway. The structural motions along this extensive trajectory, including several helical transformations, arrive at a reverse engineered mechanism of the cooperative machinery (Ren, companion article), and shed light on pathological properties of the abnormal homotetrameric hemoglobins from α-thalassemia. This method of meta-analysis provides a general approach to structural dynamics based on static protein structures in this post genomics era.

Reaction Trajectory Revealed by a Joint Analysis of Protein Data Bank

PubMed Central

Ren, Zhong

2013-01-01

Structural motions along a reaction pathway hold the secret about how a biological macromolecule functions. If each static structure were considered as a snapshot of the protein molecule in action, a large collection of structures would constitute a multidimensional conformational space of an enormous size. Here I present a joint analysis of hundreds of known structures of human hemoglobin in the Protein Data Bank. By applying singular value decomposition to distance matrices of these structures, I demonstrate that this large collection of structural snapshots, derived under a wide range of experimental conditions, arrange orderly along a reaction pathway. The structural motions along this extensive trajectory, including several helical transformations, arrive at a reverse engineered mechanism of the cooperative machinery (Ren, companion article), and shed light on pathological properties of the abnormal homotetrameric hemoglobins from α-thalassemia. This method of meta-analysis provides a general approach to structural dynamics based on static protein structures in this post genomics era. PMID:24244274

Trypsin-sensitive modulation of intestinal epithelial MD-2 as mechanism of lipopolysaccharide tolerance.

PubMed

Cario, Elke; Golenbock, Douglas T; Visintin, Alberto; Rünzi, Michael; Gerken, Guido; Podolsky, Daniel K

2006-04-01

Intestinal epithelial cells (IEC) are constantly exposed to both high concentrations of the bacterial ligand LPS and the serine protease trypsin. MD-2, which contains multiple trypsin cleavage sites, is an essential accessory glycoprotein required for LPS recognition and signaling through TLR4. The aim of this study was to characterize the expression and subcellular distribution of intestinal epithelial MD-2 and to delineate potential functional interactions with trypsin and then alteration in inflammatory bowel disease (IBD). Although MD-2 protein expression was minimal in primary IEC of normal colonic or ileal mucosa, expression was significantly increased in IEC from patients with active IBD colitis, but not in ileal areas from patients with severe Crohn's disease. Endogenous MD-2 was predominantly retained in the calnexin-calreticulin cycle of the endoplasmic reticulum; only a small fraction was exported to the Golgi. MD-2 expression correlated inversely with trypsin activity. Biochemical evidence and in vitro experiments demonstrated that trypsin exposure resulted in extensive proteolysis of endogenous and soluble MD-2 protein, but not of TLR4 in IEC, and was associated with desensitization of IEC to LPS. In conclusion, the present study suggests that endoplasmic reticulum-associated MD-2 expression in IBD may be altered by ileal protease in inflammation, leading to impaired LPS recognition and hyporesponsiveness through MD-2 proteolysis in IEC, thus implying a physiologic mechanism that helps maintain LPS tolerance in the intestine.

Development of a Mars Airplane Entry, Descent, and Flight Trajectory

NASA Technical Reports Server (NTRS)

Murray, James E.; Tartabini, Paul V.

2001-01-01

An entry, descent, and flight (EDF) trajectory profile for a Mars airplane mission is defined as consisting of the following elements: ballistic entry of an aeroshell; supersonic deployment of a decelerator parachute; subsonic release of a heat shield; release, unfolding, and orientation of an airplane to flight attitude; and execution of a pull up maneuver to achieve trimmed, horizontal flight. Using the Program to Optimize Simulated Trajectories (POST) a trajectory optimization problem was formulated. Model data representative of a specific Mars airplane configuration, current models of the Mars surface topography and atmosphere, and current estimates of the interplanetary trajectory, were incorporated into the analysis. The goal is to develop an EDF trajectory to maximize the surface-relative altitude of the airplane at the end of a pull up maneuver, while subject to the mission design constraints. The trajectory performance was evaluated for three potential mission sites and was found to be site-sensitive. The trajectory performance, examined for sensitivity to a number of design and constraint variables, was found to be most sensitive to airplane mass, aerodynamic performance characteristics, and the pull up Mach constraint. Based on the results of this sensitivity study, an airplane-drag optimized trajectory was developed that showed a significant performance improvement.

PHYSICAL PROPERTIES OF NEAR-EARTH ASTEROID 2011 MD

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

Mommert, M.; Trilling, D. E.; Farnocchia, D.

We report on observations of near-Earth asteroid 2011 MD with the Spitzer Space Telescope. We have spent 19.9 hr of observing time with channel 2 (4.5 μm) of the Infrared Array Camera and detected the target within the 2σ positional uncertainty ellipse. Using an asteroid thermophysical model and a model of nongravitational forces acting upon the object, we constrain the physical properties of 2011 MD, based on the measured flux density and available astrometry data. We estimate 2011 MD to be (6{sub −2}{sup +4}) m in diameter with a geometric albedo of 0.3{sub −0.2}{sup +0.4} (uncertainties are 1σ). We find the asteroid's most probablemore » bulk density to be (1.1{sub −0.5}{sup +0.7}) g cm{sup –3}, which implies a total mass of (50-350) t and a macroporosity of ≥65%, assuming a material bulk density typical of non-primitive meteorite materials. A high degree of macroporosity suggests that 2011 MD is a rubble-pile asteroid, the rotation of which is more likely to be retrograde than prograde.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R.L.; Goodstein, D.M.; Cooper, B.H.

1989-05-15

Trajectories of Na{sup +} ions scattered from the Cu(110) surface in the <1 1bar 0> and <001> azimuths were studied for a range of incident energies from 56 eV to 4 keV. The goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, simulations were performed with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with the data. Ionmore » trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion-surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1 1bar 0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R. L.; Goodstein, D. M.; Cooper, B. H.

1989-05-15

We have investigated the trajectories of Na/sup +/ ions scattered from the Cu(110) surface in the <1/bar 1/0> and <001> azimuths for a range of incident energies from 56 eV to 4 keV. Our goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, we have performed simulations with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with themore » data. Ion trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion--surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1/bar 1/0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Techniques for shuttle trajectory optimization

NASA Technical Reports Server (NTRS)

Edge, E. R.; Shieh, C. J.; Powers, W. F.

1973-01-01

The application of recently developed function-space Davidon-type techniques to the shuttle ascent trajectory optimization problem is discussed along with an investigation of the recently developed PRAXIS algorithm for parameter optimization. At the outset of this analysis, the major deficiency of the function-space algorithms was their potential storage problems. Since most previous analyses of the methods were with relatively low-dimension problems, no storage problems were encountered. However, in shuttle trajectory optimization, storage is a problem, and this problem was handled efficiently. Topics discussed include: the shuttle ascent model and the development of the particular optimization equations; the function-space algorithms; the operation of the algorithm and typical simulations; variable final-time problem considerations; and a modification of Powell's algorithm.

Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways

PubMed Central

Seyler, Sean L.; Kumar, Avishek; Thorpe, M. F.; Beckstein, Oliver

2015-01-01

Diverse classes of proteins function through large-scale conformational changes and various sophisticated computational algorithms have been proposed to enhance sampling of these macromolecular transition paths. Because such paths are curves in a high-dimensional space, it has been difficult to quantitatively compare multiple paths, a necessary prerequisite to, for instance, assess the quality of different algorithms. We introduce a method named Path Similarity Analysis (PSA) that enables us to quantify the similarity between two arbitrary paths and extract the atomic-scale determinants responsible for their differences. PSA utilizes the full information available in 3N-dimensional configuration space trajectories by employing the Hausdorff or Fréchet metrics (adopted from computational geometry) to quantify the degree of similarity between piecewise-linear curves. It thus completely avoids relying on projections into low dimensional spaces, as used in traditional approaches. To elucidate the principles of PSA, we quantified the effect of path roughness induced by thermal fluctuations using a toy model system. Using, as an example, the closed-to-open transitions of the enzyme adenylate kinase (AdK) in its substrate-free form, we compared a range of protein transition path-generating algorithms. Molecular dynamics-based dynamic importance sampling (DIMS) MD and targeted MD (TMD) and the purely geometric FRODA (Framework Rigidity Optimized Dynamics Algorithm) were tested along with seven other methods publicly available on servers, including several based on the popular elastic network model (ENM). PSA with clustering revealed that paths produced by a given method are more similar to each other than to those from another method and, for instance, that the ENM-based methods produced relatively similar paths. PSA applied to ensembles of DIMS MD and FRODA trajectories of the conformational transition of diphtheria toxin, a particularly challenging example, showed that

Motion Tree Delineates Hierarchical Structure of Protein Dynamics Observed in Molecular Dynamics Simulation

PubMed Central

Moritsugu, Kei; Koike, Ryotaro; Yamada, Kouki; Kato, Hiroaki; Kidera, Akinori

2015-01-01

Molecular dynamics (MD) simulations of proteins provide important information to understand their functional mechanisms, which are, however, likely to be hidden behind their complicated motions with a wide range of spatial and temporal scales. A straightforward and intuitive analysis of protein dynamics observed in MD simulation trajectories is therefore of growing significance with the large increase in both the simulation time and system size. In this study, we propose a novel description of protein motions based on the hierarchical clustering of fluctuations in the inter-atomic distances calculated from an MD trajectory, which constructs a single tree diagram, named a “Motion Tree”, to determine a set of rigid-domain pairs hierarchically along with associated inter-domain fluctuations. The method was first applied to the MD trajectory of substrate-free adenylate kinase to clarify the usefulness of the Motion Tree, which illustrated a clear-cut dynamics picture of the inter-domain motions involving the ATP/AMP lid and the core domain together with the associated amplitudes and correlations. The comparison of two Motion Trees calculated from MD simulations of ligand-free and -bound glutamine binding proteins clarified changes in inherent dynamics upon ligand binding appeared in both large domains and a small loop that stabilized ligand molecule. Another application to a huge protein, a multidrug ATP binding cassette (ABC) transporter, captured significant increases of fluctuations upon binding a drug molecule observed in both large scale inter-subunit motions and a motion localized at a transmembrane helix, which may be a trigger to the subsequent structural change from inward-open to outward-open states to transport the drug molecule. These applications demonstrated the capabilities of Motion Trees to provide an at-a-glance view of various sizes of functional motions inherent in the complicated MD trajectory. PMID:26148295

Trajectory Design for the Microwave Anisotropy Probe (MAP)

NASA Technical Reports Server (NTRS)

Newman, Lauri Kraft; Rohrbaugh, David; Bauer, Frank H. (Technical Monitor)

2001-01-01

The Microwave Anisotropy, Probe (MAP) is a Medium Class Explorers (MIDEX) Mission produced in partnership between Goddard Space Flight Center (GSFC) and Princeton University. The goal of the MAP mission is to produce an accurate fill-sky, map of the cosmic microwave background temperature fluctuations (anisotropy). The mission orbit is a Lissajous orbit about the L(sub 2) Sun-Earth Lagrange point. The trajectory design for MAP is complex, having many requirements that must be met including shadow avoidance, sun angle constraints, Lissqjous size and shape characteristics, and limited Delta-V budget. In order to find a trajectory that met the design requirements for the entire 4-year mission lifetime goal, GSFC Flight Dynamics engineers performed many analyses, the results of which are presented herein. The paper discusses the preliminary trade-offs to establish a baseline trajectory, analysis to establish the nominal daily trajectory, and the launch window determination to widen the opportunity from instantaneous to several minutes for each launch date.

DESTINY+ Trajectory Design to (3200) Phaethon

NASA Astrophysics Data System (ADS)

Sarli, Bruno Victorino; Horikawa, Makoto; Yam, Chit Hong; Kawakatsu, Yasuhiro; Yamamoto, Takayuki

2018-03-01

This work explores the target selection and trajectory design of the mission candidate for ISAS/JAXA's small science satellite series, DESTINY PLUS or DESTINY+. This mission combines unique aspects of the latest satellite technology and exploration of transition bodies to fill a technical and scientific gap in the Japanese space science program. The spacecraft is targeted to study the comet-asteroid transition body (3200) Phaethon through a combination of low-thrust propulsion and Earth Gravity Assist. The trajectory design concept is presented in details together with the launch window and flyby date analysis. Alternative targets for a possible mission extension scenario are also explored.

Titan Explorer Entry, Descent and Landing Trajectory Design

NASA Technical Reports Server (NTRS)

Fisher, Jody L.; Lindberg, Robert E.; Lockwood, Mary Kae

2006-01-01

The Titan Explorer mission concept includes an orbiter, entry probe and inflatable airship designed to take remote and in-situ measurements of Titan's atmosphere. A modified entry, descent and landing trajectory at Titan that incorporates mid-air airship inflation (under a parachute) and separation is developed and examined for Titan Explorer. The feasibility of mid-air inflation and deployment of an airship under a parachute is determined by implementing and validating an airship buoyancy and inflation model in the trajectory simulation program, Program to Optimize Simulated Trajectories II (POST2). A nominal POST2 trajectory simulation case study is generated which examines different descent scenarios by varying airship inflation duration, orientation, and separation. The buoyancy model incorporation into POST2 is new to the software and may be used in future trajectory simulations. Each case from the nominal POST2 trajectory case study simulates a successful separation between the parachute and airship systems with sufficient velocity change as to alter their paths to avoid collision throughout their descent. The airship and heatshield also separate acceptably with a minimum distance of separation from the parachute system of 1.5 km. This analysis shows the feasibility of airship inflation on a parachute for different orientations, airship separation at various inflation times, and preparation for level-flight at Titan.

A Robot Trajectory Optimization Approach for Thermal Barrier Coatings Used for Free-Form Components

NASA Astrophysics Data System (ADS)

Cai, Zhenhua; Qi, Beichun; Tao, Chongyuan; Luo, Jie; Chen, Yuepeng; Xie, Changjun

2017-10-01

This paper is concerned with a robot trajectory optimization approach for thermal barrier coatings. As the requirements of high reproducibility of complex workpieces increase, an optimal thermal spraying trajectory should not only guarantee an accurate control of spray parameters defined by users (e.g., scanning speed, spray distance, scanning step, etc.) to achieve coating thickness homogeneity but also help to homogenize the heat transfer distribution on the coating surface. A mesh-based trajectory generation approach is introduced in this work to generate path curves on a free-form component. Then, two types of meander trajectories are generated by performing a different connection method. Additionally, this paper presents a research approach for introducing the heat transfer analysis into the trajectory planning process. Combining heat transfer analysis with trajectory planning overcomes the defects of traditional trajectory planning methods (e.g., local over-heating), which helps form the uniform temperature field by optimizing the time sequence of path curves. The influence of two different robot trajectories on the process of heat transfer is estimated by coupled FEM models which demonstrates the effectiveness of the presented optimization approach.

Parallel cascade selection molecular dynamics (PaCS-MD) to generate conformational transition pathway

NASA Astrophysics Data System (ADS)

Harada, Ryuhei; Kitao, Akio

2013-07-01

Parallel Cascade Selection Molecular Dynamics (PaCS-MD) is proposed as a molecular simulation method to generate conformational transition pathway under the condition that a set of "reactant" and "product" structures is known a priori. In PaCS-MD, the cycle of short multiple independent molecular dynamics simulations and selection of the structures close to the product structure for the next cycle are repeated until the simulated structures move sufficiently close to the product. Folding of 10-residue mini-protein chignolin from the extended to native structures and open-close conformational transition of T4 lysozyme were investigated by PaCS-MD. In both cases, tens of cycles of 100-ps MD were sufficient to reach the product structures, indicating the efficient generation of conformational transition pathway in PaCS-MD with a series of conventional MD without additional external biases. Using the snapshots along the pathway as the initial coordinates, free energy landscapes were calculated by the combination with multiple independent umbrella samplings to statistically elucidate the conformational transition pathways.

High Altitude Venus Operations Concept Trajectory Design, Modeling and Simulation

NASA Technical Reports Server (NTRS)

Lugo, Rafael A.; Ozoroski, Thomas A.; Van Norman, John W.; Arney, Dale C.; Dec, John A.; Jones, Christopher A.; Zumwalt, Carlie H.

2015-01-01

A trajectory design and analysis that describes aerocapture, entry, descent, and inflation of manned and unmanned High Altitude Venus Operation Concept (HAVOC) lighter-than-air missions is presented. Mission motivation, concept of operations, and notional entry vehicle designs are presented. The initial trajectory design space is analyzed and discussed before investigating specific trajectories that are deemed representative of a feasible Venus mission. Under the project assumptions, while the high-mass crewed mission will require further research into aerodynamic decelerator technology, it was determined that the unmanned robotic mission is feasible using current technology.

Trajectories of male sexual aggression from adolescence through college: A latent class growth analysis.

PubMed

Swartout, Kevin M; Swartout, Ashlyn G; Brennan, Carolyn L; White, Jacquelyn W

2015-01-01

Approximately 25% of male college students report engaging in some form of sexual coercion by the end of their fourth year of college. White and Smith (2004) found that negative childhood experiences-childhood sexual abuse, childhood physical abuse, and witnessing domestic violence-predicted sexual aggression perpetrated before college, but not during the subsequent college years, a puzzling finding in view of the reasonably consistent rates of sexual aggression from adolescence to the first 2 years of college. The current study takes a person-centered approach to sexual aggression in an attempt to resolve this discrepancy. We examined the possibility of cohesive subgroups of men in terms of their frequency of sexual aggression across the pre-college and college years. A series of latent class growth models were fit to an existing longitudinal dataset of sexual experiences collected across four time points-pre-college through year 3 of college. A four-trajectory model fit the data well, exhibiting significantly better fit than a three-trajectory model. The four trajectories are interpreted as men who perpetrate sexual aggression at (1) low (71.5% of the sample), (2) moderate (21.2%), (3) decreasing (4.2%), and (4) increasing (3.1%) frequencies across time. Negative childhood experiences predicted membership of the decreasing trajectory, relative to the low trajectory, but did not predict membership of the increasing trajectory, explaining the discrepancy uncovered by White and Smith. Implications for primary prevention of sexual aggression are discussed. © 2015 Wiley Periodicals, Inc.

Ballistic projectile trajectory determining system

DOEpatents

Karr, T.J.

1997-05-20

A computer controlled system determines the three-dimensional trajectory of a ballistic projectile. To initialize the system, predictions of state parameters for a ballistic projectile are received at an estimator. The estimator uses the predictions of the state parameters to estimate first trajectory characteristics of the ballistic projectile. A single stationary monocular sensor then observes the actual first trajectory characteristics of the ballistic projectile. A comparator generates an error value related to the predicted state parameters by comparing the estimated first trajectory characteristics of the ballistic projectile with the observed first trajectory characteristics of the ballistic projectile. If the error value is equal to or greater than a selected limit, the predictions of the state parameters are adjusted. New estimates for the trajectory characteristics of the ballistic projectile are made and are then compared with actual observed trajectory characteristics. This process is repeated until the error value is less than the selected limit. Once the error value is less than the selected limit, a calculator calculates trajectory characteristics such a the origin and destination of the ballistic projectile. 8 figs.

Ballistic projectile trajectory determining system

DOEpatents

Karr, Thomas J.

1997-01-01

A computer controlled system determines the three-dimensional trajectory of a ballistic projectile. To initialize the system, predictions of state parameters for a ballistic projectile are received at an estimator. The estimator uses the predictions of the state parameters to estimate first trajectory characteristics of the ballistic projectile. A single stationary monocular sensor then observes the actual first trajectory characteristics of the ballistic projectile. A comparator generates an error value related to the predicted state parameters by comparing the estimated first trajectory characteristics of the ballistic projectile with the observed first trajectory characteristics of the ballistic projectile. If the error value is equal to or greater than a selected limit, the predictions of the state parameters are adjusted. New estimates for the trajectory characteristics of the ballistic projectile are made and are then compared with actual observed trajectory characteristics. This process is repeated until the error value is less than the selected limit. Once the error value is less than the selected limit, a calculator calculates trajectory characteristics such a the origin and destination of the ballistic projectile.

Trajectories of educational expectations from adolescence to young adulthood in Finland.

PubMed

Tynkkynen, Lotta; Tolvanen, Asko; Salmela-Aro, Katariina

2012-11-01

The purpose of this person-oriented, 5-wave longitudinal study was to examine the trajectories of educational expectations from adolescence to young adulthood in the context of the expectancy-value theory (Eccles et al., 1983). Altogether, 853 (48% female; M age = 16 years) Finnish adolescents reported their educational expectation, 1st in the last year of comprehensive school and 4 times during the following 5 years. Latent class analysis showed that 5 trajectories of educational expectations fit the data best: stable-university (38%), stable-vocational (18%), stable-polytechnic (24%), increasing-expectations (10%), and decreasing-expectations (10%). In line with the expectancy-value theory, adolescents' academic achievement, socioeconomic status (SES), perception of parents' aspirations for them, and ability-beliefs were all related to their trajectories of educational expectations. For example, the higher the adolescent's SES, perception of parents' educational aspirations, and grade point average (GPA), the more likely the participant was to be in the stable-university trajectory compared to the stable-vocational trajectory. Gender had an indirect effect on the trajectories via GPA. Moreover, participants with higher ability-beliefs were more likely to be in trajectories with high and stable educational expectations compared to the unstable trajectories. The trajectories were related to the participants' educational situation after comprehensive school.

Correlated motion of protein subdomains and large-scale conformational flexibility of RecA protein filament

NASA Astrophysics Data System (ADS)

Yu, Garmay; A, Shvetsov; D, Karelov; D, Lebedev; A, Radulescu; M, Petukhov; V, Isaev-Ivanov

2012-02-01

Based on X-ray crystallographic data available at Protein Data Bank, we have built molecular dynamics (MD) models of homologous recombinases RecA from E. coli and D. radiodurans. Functional form of RecA enzyme, which is known to be a long helical filament, was approximated by a trimer, simulated in periodic water box. The MD trajectories were analyzed in terms of large-scale conformational motions that could be detectable by neutron and X-ray scattering techniques. The analysis revealed that large-scale RecA monomer dynamics can be described in terms of relative motions of 7 subdomains. Motion of C-terminal domain was the major contributor to the overall dynamics of protein. Principal component analysis (PCA) of the MD trajectories in the atom coordinate space showed that rotation of C-domain is correlated with the conformational changes in the central domain and N-terminal domain, that forms the monomer-monomer interface. Thus, even though C-terminal domain is relatively far from the interface, its orientation is correlated with large-scale filament conformation. PCA of the trajectories in the main chain dihedral angle coordinate space implicates a co-existence of a several different large-scale conformations of the modeled trimer. In order to clarify the relationship of independent domain orientation with large-scale filament conformation, we have performed analysis of independent domain motion and its implications on the filament geometry.

Entropy method of measuring and evaluating periodicity of quasi-periodic trajectories

NASA Astrophysics Data System (ADS)

Ni, Yanshuo; Turitsyn, Konstantin; Baoyin, Hexi; Junfeng, Li

2018-06-01

This paper presents a method for measuring the periodicity of quasi-periodic trajectories by applying discrete Fourier transform (DFT) to the trajectories and analyzing the frequency domain within the concept of entropy. Having introduced the concept of entropy, analytical derivation and numerical results indicate that entropies increase as a logarithmic function of time. Periodic trajectories typically have higher entropies, and trajectories with higher entropies mean the periodicities of the motions are stronger. Theoretical differences between two trajectories expressed as summations of trigonometric functions are also derived analytically. Trajectories in the Henon-Heiles system and the circular restricted three-body problem (CRTBP) are analyzed with the indicator entropy and compared with orthogonal fast Lyapunov indicator (OFLI). The results show that entropy is a better tool for discriminating periodicity in quasiperiodic trajectories than OFLI and can detect periodicity while excluding the spirals that are judged as periodic cases by OFLI. Finally, trajectories in the vicinity of 243 Ida and 6489 Golevka are considered as examples, and the numerical results verify these conclusions. Some trajectories near asteroids look irregular, but their higher entropy values as analyzed by this method serve as evidence of frequency regularity in three directions. Moreover, these results indicate that applying DFT to the trajectories in the vicinity of irregular small bodies and calculating their entropy in the frequency domain provides a useful quantitative analysis method for evaluating orderliness in the periodicity of quasi-periodic trajectories within a given time interval.

Cell lines, Md108 and Md66, from the hemocytes of Malacosoma disstria (Lepidoptera) display aspects of plasma-free innate non-self activities.

PubMed

Lapointe, Jason F; Dunphy, Gary B; Giannoulis, Paschalis; Mandato, Craig A; Nardi, James B; Gharib, Osama H; Niven, Donald F

2011-11-01

The innate non-self response systems of the deciduous tree pest, the forest tent caterpillar, Malacosoma disstria has been documented by us in terms of in vitro and in vivo reactions towards the Gram-positive nonpathogenic bacterium, Bacillus subtilis and Gram-negative pathogenic microbe, Xenorhabdus nematophila and their respective surface antigens, lipopoteichoic acids (LTA) and lipopolysaccharides (LPS). These studies, often conducted in whole and diluted hemolymph, preclude examination of plasma-free cellular (hemocyte) responses. Plasma-free hemocytes as primary cultures are difficult to obtain. The floating cell line Md66 and attached cell line Md108 from M. disstria hemocytes were examined as a model for plasma-free M. disstria hemocyte non-self responses. Herein, it was established that although both lines differed from each other and from the primary hemocyte cultures of M. disstria in growth parameters, cell composition and sizes both cell lines displayed granular cell-like (GL) cells and plasmatocyte-like (PL) cells according to morphological criteria and to some extent antigenic similarities based on labeling with anti-Chrysodeixis includens hemocyte monoclonal antibodies. Hemocyte-specific neuroglian-like protein was detected on cells of both cell lines and in the primary hemocyte cultures albeit with staining patterns differing according to culture and cell types, confluency levels and cell-cell adhesion. Both cell lines bound B. subtilis and X. nematophila, the reaction extent varying with the cell line and its cell types. LPS damaged both cell types in the two cell lines whereas LTA enhanced the adhesion of Md66 GL cells to flask surfaces followed by PL cell adhesion. PL cells of both lines, like the primary cultures, phagocytosed FITC-labeled B. subtilis; only Md108 GL cells phagocytosed B. subtilis. In either case phagocytosis was always less in frequency and intensity than the primary cultures. Proteins released from the cell lines differed in

Pipeline for inferring protein function from dynamics using coarse-grained molecular mechanics forcefield.

PubMed

Bhadra, Pratiti; Pal, Debnath

2017-04-01

Dynamics is integral to the function of proteins, yet the use of molecular dynamics (MD) simulation as a technique remains under-explored for molecular function inference. This is more important in the context of genomics projects where novel proteins are determined with limited evolutionary information. Recently we developed a method to match the query protein's flexible segments to infer function using a novel approach combining analysis of residue fluctuation-graphs and auto-correlation vectors derived from coarse-grained (CG) MD trajectory. The method was validated on a diverse dataset with sequence identity between proteins as low as 3%, with high function-recall rates. Here we share its implementation as a publicly accessible web service, named DynFunc (Dynamics Match for Function) to query protein function from ≥1 µs long CG dynamics trajectory information of protein subunits. Users are provided with the custom-developed coarse-grained molecular mechanics (CGMM) forcefield to generate the MD trajectories for their protein of interest. On upload of trajectory information, the DynFunc web server identifies specific flexible regions of the protein linked to putative molecular function. Our unique application does not use evolutionary information to infer molecular function from MD information and can, therefore, work for all proteins, including moonlighting and the novel ones, whenever structural information is available. Our pipeline is expected to be of utility to all structural biologists working with novel proteins and interested in moonlighting functions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Molecular Dynamics Simulations and XAFS (MD-XAFS)

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

Schenter, Gregory K.; Fulton, John L.

2017-01-20

MD-XAFS (Molecular Dynamics X-ray Adsorption Fine Structure) makes the connection between simulation techniques that generate an ensemble of molecular configurations and the direct signal observed from X-ray measurement.

MdHB1 down-regulation activates anthocyanin biosynthesis in the white-fleshed apple cultivar 'Granny Smith'.

PubMed

Jiang, Yonghua; Liu, Cuihua; Yan, Dan; Wen, Xiaohong; Liu, Yanli; Wang, Haojie; Dai, Jieyu; Zhang, Yujie; Liu, Yanfei; Zhou, Bin; Ren, Xiaolin

2017-02-01

Coloration in apple (Malus×domestica) flesh is mainly caused by the accumulation of anthocyanin. Anthocyanin is biosynthesized through the flavonoid pathway and regulated by MYB, bHLH, and WD40 transcription factors (TFs). Here, we report that the HD-Zip I TF MdHB1 was also involved in the regulation of anthocyanin accumulation. MdHB1 silencing caused the accumulation of anthocyanin in 'Granny Smith' flesh, whereas its overexpression reduced the flesh content of anthocyanin in 'Ballerina' (red-fleshed apple). Moreover, flowers of transgenic tobacco (Nicotiana tabacum 'NC89') overexpressing MdHB1 showed a remarkable reduction in pigmentation. Transient promoter activation assays and yeast one-hybrid results indicated that MdHB1 indirectly inhibited expression of the anthocyanin biosynthetic genes encoding dihydroflavonol-4-reductase (DFR) and UDP-glucose:flavonoid 3-O-glycosyltransferase (UFGT). Yeast two-hybrid and bimolecular fluorescence complementation determined that MdHB1 acted as a homodimer and could interact with MYB, bHLH, and WD40 in the cytoplasm, consistent with its cytoplasmic localization by green fluorescent protein fluorescence observations. Together, these results suggest that MdHB1 constrains MdMYB10, MdbHLH3, and MdTTG1 to the cytoplasm, and then represses the transcription of MdDFR and MdUFGT indirectly. When MdHB1 is silenced, these TFs are released to activate the expression of MdDFR and MdUFGT and also anthocyanin biosynthesis, resulting in red flesh in 'Granny Smith'. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Mars entry-to-landing trajectory optimization and closed loop guidance

NASA Technical Reports Server (NTRS)

Ilgen, Marc R.; Manning, Raymund A.; Cruz, Manuel I.

1991-01-01

The guidance strategy of the Mars Rover Sample Return mission is presented in detail. Aeromaneuver versus aerobrake trades are examined, and an aerobrake analysis is presented which takes into account targeting, guidance, flight control, trajectory profile, delivery accuracy. An aeromaneuver analysis is given which includes the entry corridor, maneuver footprint, guidance, preentry phase, constant drag phase, equilibrium guide phase, variable drag phase, influence of trajectory profile on the entry flight loads, parachute deployment conditions and strategies, and landing accuracy. The Mars terminal descent phase is analyzed.

Trajectory Design for a Single-String Impactor Concept

NASA Technical Reports Server (NTRS)

Dono Perez, Andres; Burton, Roland; Stupl, Jan; Mauro, David

2017-01-01

This paper introduces a trajectory design for a secondary spacecraft concept to augment science return in interplanetary missions. The concept consist of a single-string probe with a kinetic impactor on board that generates an artificial plume to perform in-situ sampling. The trajectory design was applied to a particular case study that samples ejecta particles from the Jovian moon Europa. Results were validated using statistical analysis. Details regarding the navigation, targeting and disposal challenges related to this concept are presented herein.

Hierarchical Control and Trajectory Planning

NASA Technical Reports Server (NTRS)

Martin, Clyde F.; Horn, P. W.

1994-01-01

Most of the time on this project was spent on the trajectory planning problem. The construction is equivalent to the classical spline construction in the case that the system matrix is nilpotent. If the dimension of the system is n then the spline of degree 2n-1 is constructed. This gives a new approach to the construction of splines that is more efficient than the usual construction and at the same time allows the construction of a much larger class of splines. All known classes of splines are reconstructed using the approach of linear control theory. As a numerical analysis tool control theory gives a very good tool for constructing splines. However, for the purposes of trajectory planning it is quite another story. Enclosed in this document are four reports done under this grant.

Developmental Trajectories of Anxiety Symptoms Among Boys Across Early and Middle Childhood

PubMed Central

Feng, Xin; Shaw, Daniel S.; Silk, Jennifer S.

2009-01-01

This study examined the developmental trajectory of anxiety symptoms among 290 boys and evaluated the association of trajectory groups with child and family risk factors and children’s internalizing disorders. Anxiety symptoms were measured using maternal reports from the Child Behavior Checklist (T. M. Achenbach, 1991, 1992) for boys between the ages of 2 and 10. A group-based trajectory analysis revealed 4 distinct trajectories in the development of anxiety symptoms: low, low increasing, high declining, and high-increasing trajectories. Child shy temperament tended to differentiate between initial high and low groups, whereas maternal negative control and maternal depression were associated with increasing trajectories and elevated anxiety symptoms in middle childhood. Follow-up analyses to diagnoses of preadolescent depression and/or anxiety disorders revealed different patterns on the basis of trajectory group membership. The results are discussed in terms of the mechanisms of risk factors and implications for early identification and prevention. PMID:18266484

Programmer's manual for the Mission Analysis Evaluation and Space Trajectory Operations program (MAESTRO)

NASA Technical Reports Server (NTRS)

Lutzky, D.; Bjorkman, W. S.

1973-01-01

The Mission Analysis Evaluation and Space Trajectory Operations program known as MAESTRO is described. MAESTRO is an all FORTRAN, block style, computer program designed to perform various mission control tasks. This manual is a guide to MAESTRO, providing individuals the capability of modifying the program to suit their needs. Descriptions are presented of each of the subroutines descriptions consist of input/output description, theory, subroutine description, and a flow chart where applicable. The programmer's manual also contains a detailed description of the common blocks, a subroutine cross reference map, and a general description of the program structure.

Antinociceptive synergism of MD-354 and clonidine. Part II. The alpha-adrenoceptor component.

PubMed

Young, Shawquia; Vainio, Minna; Scheinin, Mika; Dukat, Małgorzata

2010-08-01

Previously, we reported that antinociceptive synergism of a 5-HT(3)/alpha(2)-adrenoceptor ligand MD-354 (m-chlorophenylguanidine) and clonidine combination occurs, in part, through a 5-HT(3) receptor antagonist mechanism. In the present investigation, a possible role for alpha(2)-adrenoceptors was examined. Mechanistic studies using yohimbine (a subtype non-selective alpha(2)-adrenoceptor antagonist), BRL 44408 (a preferential alpha(2A)-adrenoceptor antagonist) and imiloxan (a preferential alpha(2B/C)-adrenoceptor antagonist) on the antinociceptive actions of a MD-354/clonidine combination were conducted. Subcutaneous pre-treatment with all three antagonists inhibited the antinociceptive synergism of MD-354 and clonidine in the mouse tail-flick assay in a dose-dependent manner (AD(50) = 0.33, 2.1, and 0.17 mg/kg, respectively). Enhancement of clonidine antinociception by MD-354 did not potentiate clonidine's locomotor suppressant activity in a mouse locomotor assay. When [ethyl-3H]RS-79948-197 was used as radioligand, MD-354 displayed almost equal affinity to alpha(2A)- and alpha(2B)-adrenoceptors (K(i) = 110 and 220 nM) and showed lower affinity at alpha(2C)-adrenoceptors (K(i) = 4,700 nM). MD-354 had no subtype-selectivity for the alpha(2)-adrenoceptor subtypes as an antagonist in functional [35S]GTPgammaS binding assays. MD-354 was a weak partial agonist at alpha(2A)-adrenoceptors. Overall, in addition to the 5-HT(3) receptor component, the present investigation found MD-354 to be a weak partial alpha(2A)-adrenoceptor agonist that enhances clonidine's thermal antinociceptive actions through an alpha(2)-adrenoceptor-mediated mechanism without augmenting sedation.

Trajectories of Marital Conflict across the Life Course: Predictors and Interactions with Marital Happiness Trajectories

ERIC Educational Resources Information Center

Kamp Dush, Claire M.; Taylor, Miles G.

2012-01-01

Using typologies outlined by Gottman and Fitzpatrick as well as institutional and companionate models of marriage, the authors conducted a latent class analysis of marital conflict trajectories using 20 years of data from the Marital Instability Over the Life Course study. Respondents were in one of three groups: high, medium (around the mean), or…

Interior view, general view in covered causeway (MD1109W) near ward ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Interior view, general view in covered causeway (MD-1109-W) near ward 114, looking from the northwest - National Park Seminary, Music Hall, Linden Lane at western edge of campus, Silver Spring, Montgomery County, MD

Worst-error analysis of batch filter and sequential filter in navigation problems. [in spacecraft trajectory estimation

NASA Technical Reports Server (NTRS)

Nishimura, T.

1975-01-01

This paper proposes a worst-error analysis for dealing with problems of estimation of spacecraft trajectories in deep space missions. Navigation filters in use assume either constant or stochastic (Markov) models for their estimated parameters. When the actual behavior of these parameters does not follow the pattern of the assumed model, the filters sometimes result in very poor performance. To prepare for such pathological cases, the worst errors of both batch and sequential filters are investigated based on the incremental sensitivity studies of these filters. By finding critical switching instances of non-gravitational accelerations, intensive tracking can be carried out around those instances. Also the worst errors in the target plane provide a measure in assignment of the propellant budget for trajectory corrections. Thus the worst-error study presents useful information as well as practical criteria in establishing the maneuver and tracking strategy of spacecraft's missions.

Numerical analysis of the asymptotic two-point boundary value solution for N-body trajectories.

NASA Technical Reports Server (NTRS)

Lancaster, J. E.; Allemann, R. A.

1972-01-01

Previously published asymptotic solutions for lunar and interplanetary trajectories have been modified and combined to formulate a general analytical boundary value solution applicable to a broad class of trajectory problems. In addition, the earlier first-order solutions have been extended to second-order to determine if improved accuracy is possible. Comparisons between the asymptotic solution and numerical integration for several lunar and interplanetary trajectories show that the asymptotic solution is generally quite accurate. Also, since no iterations are required, a solution to the boundary value problem is obtained in a fraction of the time required for numerically integrated solutions.

Analysis of Spatio-Temporal Traffic Patterns Based on Pedestrian Trajectories

NASA Astrophysics Data System (ADS)

Busch, S.; Schindler, T.; Klinger, T.; Brenner, C.

2016-06-01

For driver assistance and autonomous driving systems, it is essential to predict the behaviour of other traffic participants. Usually, standard filter approaches are used to this end, however, in many cases, these are not sufficient. For example, pedestrians are able to change their speed or direction instantly. Also, there may be not enough observation data to determine the state of an object reliably, e.g. in case of occlusions. In those cases, it is very useful if a prior model exists, which suggests certain outcomes. For example, it is useful to know that pedestrians are usually crossing the road at a certain location and at certain times. This information can then be stored in a map which then can be used as a prior in scene analysis, or in practical terms to reduce the speed of a vehicle in advance in order to minimize critical situations. In this paper, we present an approach to derive such a spatio-temporal map automatically from the observed behaviour of traffic participants in everyday traffic situations. In our experiments, we use one stationary camera to observe a complex junction, where cars, public transportation and pedestrians interact. We concentrate on the pedestrians trajectories to map traffic patterns. In the first step, we extract trajectory segments from the video data. These segments are then clustered in order to derive a spatial model of the scene, in terms of a spatially embedded graph. In the second step, we analyse the temporal patterns of pedestrian movement on this graph. We are able to derive traffic light sequences as well as the timetables of nearby public transportation. To evaluate our approach, we used a 4 hour video sequence. We show that we are able to derive traffic light sequences as well as time tables of nearby public transportation.

Nonlinear dynamic analysis and optimal trajectory planning of a high-speed macro-micro manipulator

NASA Astrophysics Data System (ADS)

Yang, Yi-ling; Wei, Yan-ding; Lou, Jun-qiang; Fu, Lei; Zhao, Xiao-wei

2017-09-01

This paper reports the nonlinear dynamic modeling and the optimal trajectory planning for a flexure-based macro-micro manipulator, which is dedicated to the large-scale and high-speed tasks. In particular, a macro- micro manipulator composed of a servo motor, a rigid arm and a compliant microgripper is focused. Moreover, both flexure hinges and flexible beams are considered. By combining the pseudorigid-body-model method, the assumed mode method and the Lagrange equation, the overall dynamic model is derived. Then, the rigid-flexible-coupling characteristics are analyzed by numerical simulations. After that, the microscopic scale vibration excited by the large-scale motion is reduced through the trajectory planning approach. Especially, a fitness function regards the comprehensive excitation torque of the compliant microgripper is proposed. The reference curve and the interpolation curve using the quintic polynomial trajectories are adopted. Afterwards, an improved genetic algorithm is used to identify the optimal trajectory by minimizing the fitness function. Finally, the numerical simulations and experiments validate the feasibility and the effectiveness of the established dynamic model and the trajectory planning approach. The amplitude of the residual vibration reduces approximately 54.9%, and the settling time decreases 57.1%. Therefore, the operation efficiency and manipulation stability are significantly improved.

Principal component and clustering analysis on molecular dynamics data of the ribosomal L11·23S subdomain.

PubMed

Wolf, Antje; Kirschner, Karl N

2013-02-01

With improvements in computer speed and algorithm efficiency, MD simulations are sampling larger amounts of molecular and biomolecular conformations. Being able to qualitatively and quantitatively sift these conformations into meaningful groups is a difficult and important task, especially when considering the structure-activity paradigm. Here we present a study that combines two popular techniques, principal component (PC) analysis and clustering, for revealing major conformational changes that occur in molecular dynamics (MD) simulations. Specifically, we explored how clustering different PC subspaces effects the resulting clusters versus clustering the complete trajectory data. As a case example, we used the trajectory data from an explicitly solvated simulation of a bacteria's L11·23S ribosomal subdomain, which is a target of thiopeptide antibiotics. Clustering was performed, using K-means and average-linkage algorithms, on data involving the first two to the first five PC subspace dimensions. For the average-linkage algorithm we found that data-point membership, cluster shape, and cluster size depended on the selected PC subspace data. In contrast, K-means provided very consistent results regardless of the selected subspace. Since we present results on a single model system, generalization concerning the clustering of different PC subspaces of other molecular systems is currently premature. However, our hope is that this study illustrates a) the complexities in selecting the appropriate clustering algorithm, b) the complexities in interpreting and validating their results, and c) by combining PC analysis with subsequent clustering valuable dynamic and conformational information can be obtained.

Model-free estimation of the effective correlation time for C–H bond reorientation in amphiphilic bilayers: {sup 1}H–{sup 13}C solid-state NMR and MD simulations

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

Ferreira, Tiago Mendes, E-mail: tiago.ferreira@fkem1.lu.se; Physical Chemistry, Lund University, P.O. Box 124, SE-221 00 Lund; Ollila, O. H. Samuli

2015-01-28

Molecular dynamics (MD) simulations give atomically detailed information on structure and dynamics in amphiphilic bilayer systems on timescales up to about 1 μs. The reorientational dynamics of the C–H bonds is conventionally verified by measurements of {sup 13}C or {sup 2}H nuclear magnetic resonance (NMR) longitudinal relaxation rates R{sub 1}, which are more sensitive to motional processes with correlation times close to the inverse Larmor frequency, typically around 1-10 ns on standard NMR instrumentation, and are thus less sensitive to the 10-1000 ns timescale motion that can be observed in the MD simulations. We propose an experimental procedure for atomicallymore » resolved model-free estimation of the C–H bond effective reorientational correlation time τ{sub e}, which includes contributions from the entire range of all-atom MD timescales and that can be calculated directly from the MD trajectories. The approach is based on measurements of {sup 13}C R{sub 1} and R{sub 1ρ} relaxation rates, as well as {sup 1}H−{sup 13}C dipolar couplings, and is applicable to anisotropic liquid crystalline lipid or surfactant systems using a conventional solid-state NMR spectrometer and samples with natural isotopic composition. The procedure is demonstrated on a fully hydrated lamellar phase of 1-palmitoyl-2-oleoyl-phosphatidylcholine, yielding values of τ{sub e} from 0.1 ns for the methyl groups in the choline moiety and at the end of the acyl chains to 3 ns for the g{sub 1} methylene group of the glycerol backbone. MD simulations performed with a widely used united-atom force-field reproduce the τ{sub e}-profile of the major part of the acyl chains but underestimate the dynamics of the glycerol backbone and adjacent molecular segments. The measurement of experimental τ{sub e}-profiles can be used to study subtle effects on C–H bond reorientational motions in anisotropic liquid crystals, as well as to validate the C–H bond reorientation dynamics

Organized Sport Trajectories from Childhood to Adolescence and Health Associations.

PubMed

Howie, Erin K; McVeigh, Joanne A; Smith, Anne J; Straker, Leon M

2016-07-01

The purpose of this study was to identify unique organized sport trajectories from early childhood to late adolescence in an Australian pregnancy cohort, the Raine Study. Participation in organized sport was assessed at ages 5, 8, 10, 14, and 17 yr. Physical activity, body composition, and self-rated physical and mental health were assessed at the age of 20 yr. Latent class analysis was used to identify patterns of sport participation. To assess the internal validity of the trajectory classes, differences in health characteristics between trajectories were analyzed using generalized linear models. For girls, three trajectory classes were identified: consistent sport participators (47.5%), sport dropouts (34.3%), and sport nonparticipators (18.1%). For boys, three trajectory classes were identified: consistent sport participators (55.2%), sport dropouts (36.9%), and sport joiners (8.1%). For girls, there were overall differences across trajectory classes in lean body mass (P = 0.003), lean mass index (P = 0.06), and physical health (P = 0.004). For boys, there were differences across classes in physical activity (P = 0.018), percent body fat (P = 0.002), lean body mass (P < 0.001), lean mass index (P < 0.001), physical health (P = 0.06), and depression scores (P = 0.27). This study identified unique, sex-specific trajectories of organized sport participation. The differences in health outcomes between trajectory classes, such as participants with consistent sport participation having more preferable health outcomes at the age of 20 yr, support the internal validity of the trajectories. Strategies are needed to identify and encourage those in the dropout trajectory to maintain their participation and those in the nonparticipator or joiner trajectories to join sport earlier. Specifically, interventions to encourage early sport participation in girls and help nonparticipating boys to join sport during adolescence may help more children receive the benefits of sport

Analysis of Suborbital Launch Trajectories for Satellite Delivery

DTIC Science & Technology

1991-12-01

4 3. Specialty areas related to trajectory ition ............... 6 I 4. Comparison of a two stage launch vehicle versus a SSTO ...the point where a Single-Stage-To- Orbit ( SSTO ) vehicle may be practical. The flight characteristics of a hypersonic SSTO vehicle would allow a...a two stage launch vehicle versus a SSTO vehicle to de-3 termine the ideal staging velocity (14:4-5). 3 Several studies have been presented that

Evidence for ProTα-TLR4/MD-2 binding: molecular dynamics and gravimetric assay studies.

PubMed

Omotuyi, Olaposi; Matsunaga, Hayato; Ueda, Hiroshi

2015-01-01

During preconditioning, lipopolysaccharide (LPS) selectively activates TLR4/MD-2/Toll/IL-1 receptor-domain-containing adaptor inducing IFN-β (TRIF) pathway instead of pro-inflammatory myeloid differentiation protein-88 (MyD88)/MyD88-adaptor-like protein (MAL) pathway. Extracellular prothymosin alpha (ProTα) is also known to selectively activate the TLR4/MD2/TRIF-IRF3 pathway in certain diseased conditions. In the current study, biophysical evidence for ProTα/TLR4/MD-2 complex formation and its interaction dynamics have been studied. Gravimetric assay was used to investigate ProTα/TLR4/MD-2 complex formation while molecular dynamics (MD) simulation was used to study its interaction dynamics. Through electrostatic interaction, full-length ProTα (F-ProTα) C-terminal peptide (aa 91 - 111) superficially interacts with similar TLR4/MD-2 (KD = 273.36 nm vs 16.07 μg/ml [LPS]) conformation with LPS at an overlapping three-dimensional space while F-ProTα is hinged to the TLR4 scaffold by one-amino acid shift-Mosoian domain (aa-51 - 90). Comparatively, F-ProTα better stabilizes MD-2 metastable states transition and mediates higher TLR4/MD-2 interaction than LPS. ProTα via its C-terminal peptide (aa 91 - 111) exhibits in vitro biophysical contact with TLR4/MD-2 complex conformation recognized by LPS at overlapping LPS-binding positions.

Catheter Insertion Reference Trajectory Construction Method Using Photoelastic Stress Analysis for Quantification of Respect for Tissue During Endovascular Surgery Simulation

NASA Astrophysics Data System (ADS)

Tercero, Carlos; Ikeda, Seiichi; Fukuda, Toshio; Arai, Fumihito; Negoro, Makoto; Takahashi, Ikuo

2011-10-01

There is a need to develop quantitative evaluation for simulator based training in medicine. Photoelastic stress analysis can be used in human tissue modeling materials; this enables the development of simulators that measure respect for tissue. For applying this to endovascular surgery, first we present a model of saccular aneurism where stress variation during micro-coils deployment is measured, and then relying on a bi-planar vision system we measure a catheter trajectory and compare it to a reference trajectory considering respect for tissue. New photoelastic tissue modeling materials will expand the applications of this technology to other medical training domains.

Four-body trajectory optimization

NASA Technical Reports Server (NTRS)

Pu, C. L.; Edelbaum, T. N.

1974-01-01

A comprehensive optimization program has been developed for computing fuel-optimal trajectories between the earth and a point in the sun-earth-moon system. It presents methods for generating fuel optimal two-impulse trajectories which may originate at the earth or a point in space and fuel optimal three-impulse trajectories between two points in space. The extrapolation of the state vector and the computation of the state transition matrix are accomplished by the Stumpff-Weiss method. The cost and constraint gradients are computed analytically in terms of the terminal state and the state transition matrix. The 4-body Lambert problem is solved by using the Newton-Raphson method. An accelerated gradient projection method is used to optimize a 2-impulse trajectory with terminal constraint. The Davidon's Variance Method is used both in the accelerated gradient projection method and the outer loop of a 3-impulse trajectory optimization problem.

Development Trajectories and Predictors of the Role Commitment of Nursing Preceptors.

PubMed

Wang, Wei-Fang; Hung, Chich-Hsiu; Li, Chung-Yi

2018-06-01

The commitment of nursing preceptors to their role is an important driving force that supports their clinical teaching and affects teaching quality. Role commitment undergoes dynamic development and thus changes over time. Existing studies have utilized only cross-sectional study designs and have not analyzed the changes in commitment trajectories with related factors. This study aimed to investigate the development trajectories of the commitment of preceptors and to examine the predictors between the trajectories of role commitment among nursing preceptors. A single-group, repeated-measures design was adopted, and 59 participants completed the Commitment to the Preceptor Role Scale and the Preceptor's Perception of Support Scale. The latent class growth analysis method was used to estimate the trajectory class patterns. The Wilcoxon rank-sum test, a nonparametric method, was used to compare the differences in demographic characteristics between the trajectories of commitment among nursing preceptors. Predictors were examined using binary logistic regression analysis. The two-class model was the best-fitting model to describe the trajectories of nursing preceptor commitment. The two classes in this model were "low commitment," which accounted for 90.3% of all the participants, and "high commitment," which accounted for 9.7%. A significant difference was found between the two classes in terms of motivation for being a preceptor (p = .048). Neither demographic characteristics nor organizational support had a predictive effect on the trajectories of commitment development. This study found a low level of role commitment among new preceptors. Moreover, internal motivation was found to be a significant factor affecting the trajectories of this commitment. Therefore, institutions should foster an appropriate environment to enhance the role identity of preceptors as well as cultivate and stimulate their commitment to this role.

Steinberg ``AUDIOMAPS'' Music Appreciation-Via-Understanding: Special-Relativity + Expectations ``Quantum-Theory'': a Quantum-ACOUSTO/MUSICO-Dynamics (QA/MD)

NASA Astrophysics Data System (ADS)

Fender, Lee; Steinberg, Russell; Siegel, Edward Carl-Ludwig

2011-03-01

Steinberg wildly popular "AUDIOMAPS" music enjoyment/appreciation-via-understanding methodology, versus art, music-dynamics evolves, telling a story in (3+1)-dimensions: trails, frames, timbres, + dynamics amplitude vs. music-score time-series (formal-inverse power-spectrum) surprisingly closely parallels (3+1)-dimensional Einstein(1905) special-relativity "+" (with its enjoyment-expectations) a manifestation of quantum-theory expectation-values, together a music quantum-ACOUSTO/MUSICO-dynamics(QA/MD). Analysis via Derrida deconstruction enabled Siegel-Baez "Category-Semantics" "FUZZYICS"="CATEGORYICS ('TRIZ") Aristotle SoO DEduction , irrespective of Boon-Klimontovich vs. Voss-Clark[PRL(77)] music power-spectrum analysis sampling-time/duration controversy: part versus whole, shows QA/MD reigns supreme as THE music appreciation-via-analysis tool for the listener in musicology!!! Connection to Deutsch-Hartmann-Levitin[This is Your Brain on Music, (06)] brain/mind-barrier brain/mind-music connection is subtle/compelling/immediate!!!

Young adults' trajectories of Ecstasy use: a population based study.

PubMed

Smirnov, Andrew; Najman, Jake M; Hayatbakhsh, Reza; Plotnikova, Maria; Wells, Helene; Legosz, Margot; Kemp, Robert

2013-11-01

Young adults' Ecstasy use trajectories have important implications for individual and population-level consequences of Ecstasy use, but little relevant research has been conducted. This study prospectively examines Ecstasy trajectories in a population-based sample. Data are from the Natural History Study of Drug Use, a retrospective/prospective cohort study conducted in Australia. Population screening identified a probability sample of Ecstasy users aged 19-23 years. Complete data for 30 months of follow-up, comprising 4 time intervals, were available for 297 participants (88.4% of sample). Trajectories were derived using cluster analysis based on recent Ecstasy use at each interval. Trajectory predictors were examined using a generalized ordered logit model and included Ecstasy dependence (World Mental Health Composite International Diagnostic Instrument), psychological distress (Hospital Anxiety Depression Scale), aggression (Young Adult Self Report) and contextual factors (e.g. attendance at electronic/dance music events). Three Ecstasy trajectories were identified (low, intermediate and high use). At its peak, the high-use trajectory involved 1-2 days Ecstasy use per week. Decreasing frequency of use was observed for intermediate and high-use trajectories from 12 months, independently of market factors. Intermediate and high-use trajectory membership was predicted by past Ecstasy consumption (>70 pills) and attendance at electronic/dance music events. High-use trajectory members were unlikely to have used Ecstasy for more than 3 years and tended to report consistently positive subjective effects at baseline. Given the social context and temporal course of Ecstasy use, Ecstasy trajectories might be better understood in terms of instrumental rather than addictive drug use patterns. © 2013 Elsevier Ltd. All rights reserved.

The Trajectory Synthesizer Generalized Profile Interface

NASA Technical Reports Server (NTRS)

Lee, Alan G.; Bouyssounouse, Xavier; Murphy, James R.

2010-01-01

The Trajectory Synthesizer is a software program that generates aircraft predictions for Air Traffic Management decision support tools. The Trajectory Synthesizer being used by researchers at NASA Ames Research Center was restricted in the number of trajectory types that could be generated. This limitation was not sufficient to support the rapidly changing Air Traffic Management research requirements. The Generalized Profile Interface was developed to address this issue. It provides a flexible approach to describe the constraints applied to trajectory generation and may provide a method for interoperability between trajectory generators. It also supports the request and generation of new types of trajectory profiles not possible with the previous interface to the Trajectory Synthesizer. Other enhancements allow the Trajectory Synthesizer to meet the current and future needs of Air Traffic Management research.

Simulation Propulsion System and Trajectory Optimization

NASA Technical Reports Server (NTRS)

Hendricks, Eric S.; Falck, Robert D.; Gray, Justin S.

2017-01-01

A number of new aircraft concepts have recently been proposed which tightly couple the propulsion system design and operation with the overall vehicle design and performance characteristics. These concepts include propulsion technology such as boundary layer ingestion, hybrid electric propulsion systems, distributed propulsion systems and variable cycle engines. Initial studies examining these concepts have typically used a traditional decoupled approach to aircraft design where the aerodynamics and propulsion designs are done a-priori and tabular data is used to provide inexpensive look ups to the trajectory ana-ysis. However the cost of generating the tabular data begins to grow exponentially when newer aircraft concepts require consideration of additional operational parameters such as multiple throttle settings, angle-of-attack effects on the propulsion system, or propulsion throttle setting effects on aerodynamics. This paper proposes a new modeling approach that eliminated the need to generate tabular data, instead allowing an expensive propulsion or aerodynamic analysis to be directly integrated into the trajectory analysis model and the entire design problem optimized in a fully coupled manner. The new method is demonstrated by implementing a canonical optimal control problem, the F-4 minimum time-to-climb trajectory optimization using three relatively new analysis tools: Open M-DAO, PyCycle and Pointer. Pycycle and Pointer both provide analytic derivatives and Open MDAO enables the two tools to be combined into a coupled model that can be run in an efficient parallel manner that helps to cost the increased cost of the more expensive propulsion analysis. Results generated with this model serve as a validation of the tightly coupled design method and guide future studies to examine aircraft concepts with more complex operational dependencies for the aerodynamic and propulsion models.

Semi-Automated Trajectory Analysis of Deep Ballistic Penetrating Brain Injury

PubMed Central

Folio, Les; Solomon, Jeffrey; Biassou, Nadia; Fischer, Tatjana; Dworzak, Jenny; Raymont, Vanessa; Sinaii, Ninet; Wassermann, Eric M.; Grafman, Jordan

2016-01-01

Background Penetrating head injuries (PHIs) are common in combat operations and most have visible wound paths on computed tomography (CT). Objective We assess agreement between an automated trajectory analysis-based assessment of brain injury and manual tracings of encephalomalacia on CT. Methods We analyzed 80 head CTs with ballistic PHI from the Institutional Review Board approved Vietnam head injury registry. Anatomic reports were generated from spatial coordinates of projectile entrance and terminal fragment location. These were compared to manual tracings of the regions of encephalomalacia. Dice’s similarity coefficients, kappa, sensitivities, and specificities were calculated to assess agreement. Times required for case analysis were also compared. Results Results show high specificity of anatomic regions identified on CT with semiautomated anatomical estimates and manual tracings of tissue damage. Radiologist’s and medical students’ anatomic region reports were similar (Kappa 0.8, t-test p < 0.001). Region of probable injury modeling of involved brain structures was sensitive (0.7) and specific (0.9) compared with manually traced structures. Semiautomated analysis was 9-fold faster than manual tracings. Conclusion Our region of probable injury spatial model approximates anatomical regions of encephalomalacia from ballistic PHI with time-saving over manual methods. Results show potential for automated anatomical reporting as an adjunct to current practice of radiologist/neurosurgical review of brain injury by penetrating projectiles. PMID:23707123

Purification of oily wastewater by hybrid UF/MD.

PubMed

Gryta, M; Karakulski, K; Morawski, A W

2001-10-01

Investigations on the treatment of oily wastewater by a combination of ultrafiltration (UF) and membrane distillation (MD) as a final purification method have been performed. A tubular UF module equipped with polyvinylidene fluoride (PVDF) membranes and a capillary MD module with polypropylene membranes were tested using a typical bilge water collected from a harbour without pretreatment. The permeate obtained from the UF process generally contains less than 5 ppm of oil. A further purification of the UF permeate by membrane distillation results in a complete removal of oil from wastewater and a very high reduction of the total organic carbon (99.5%) and total dissolved solids (99.9%).

Jettison Engineering Trajectory Tool

NASA Technical Reports Server (NTRS)

Zaczek, Mariusz; Walter, Patrick; Pascucci, Joseph; Armstrong, Phyllis; Hallbick, Patricia; Morgan, Randal; Cooney, James

2013-01-01

The Jettison Engineering Trajectory Tool (JETT) performs the jettison analysis function for any orbiting asset. It provides a method to compute the relative trajectories between an orbiting asset and any jettisoned item (intentional or unintentional) or sublimating particles generated by fluid dumps to assess whether an object is safe to jettison, or if there is a risk with an item that was inadvertently lost overboard. The main concern is the interaction and possible recontact of the jettisoned object with an asset. This supports the analysis that jettisoned items will safely clear the vehicle, ensuring no collisions. The software will reduce the jettison analysis task from one that could take days to complete to one that can be completed in hours, with an analysis that is more comprehensive than the previous method. It provides the ability to define the jettison operation relative to International Space Station (ISS) structure, and provides 2D and 3D plotting capability to allow an analyst to perform a subjective clearance assessment with ISS structures. The developers followed the SMP to create the code and all supporting documentation. The code makes extensive use of the object-oriented format of Java and, in addition, the Model-View-Controller architecture was used in the organization of the code, allowing each piece to be independent of updates to the other pieces. The model category is for maintaining data entered by the user and generated by the analysis. The view category provides capabilities for data entry and displaying all or a portion of the analysis data in tabular, 2D, and 3D representation. The controller category allows for handling events that affect the model or view(s). The JETT utilizes orbital mechanics with complex algorithms. Since JETT is written in JAVA, it is essentially platform-independent.

Optimizing interplanetary trajectories with deep space maneuvers. M.S. Thesis

NASA Technical Reports Server (NTRS)

Navagh, John

1993-01-01

Analysis of interplanetary trajectories is a crucial area for both manned and unmanned missions of the Space Exploration Initiative. A deep space maneuver (DSM) can improve a trajectory in much the same way as a planetary swingby. However, instead of using a gravitational field to alter the trajectory, the on-board propulsion system of the spacecraft is used when the vehicle is not near a planet. The purpose is to develop an algorithm to determine where and when to use deep space maneuvers to reduce the cost of a trajectory. The approach taken to solve this problem uses primer vector theory in combination with a non-linear optimizing program to minimize Delta(V). A set of necessary conditions on the primer vector is shown to indicate whether a deep space maneuver will be beneficial. Deep space maneuvers are applied to a round trip mission to Mars to determine their effect on the launch opportunities. Other studies which were performed include cycler trajectories and Mars mission abort scenarios. It was found that the software developed was able to locate quickly DSM's which lower the total Delta(V) on these trajectories.

Infrared microspectroscopy of live cells in microfluidic devices (MD-IRMS): toward a powerful label-free cell-based assay.

PubMed

Vaccari, L; Birarda, G; Businaro, L; Pacor, S; Grenci, G

2012-06-05

Until nowadays most infrared microspectroscopy (IRMS) experiments on biological specimens (i.e., tissues or cells) have been routinely carried out on fixed or dried samples in order to circumvent water absorption problems. In this paper, we demonstrate the possibility to widen the range of in-vitro IRMS experiments to vibrational analysis of live cellular samples, thanks to the development of novel biocompatible IR-visible transparent microfluidic devices (MD). In order to highlight the biological relevance of IRMS in MD (MD-IRMS), we performed a systematic exploration of the biochemical alterations induced by different fixation protocols, ethanol 70% and formaldehyde solution 4%, as well as air-drying on U937 leukemic monocytes by comparing their IR vibrational features with the live U937 counterpart. Both fixation and air-drying procedures affected lipid composition and order as well as protein structure at a different extent while they both induced structural alterations in nucleic acids. Therefore, only IRMS of live cells can provide reliable information on both DNA and RNA structure and on their cellular dynamic. In summary, we show that MD-IRMS of live cells is feasible, reliable, and biologically relevant to be recognized as a label-free cell-based assay.

77 FR 29692 - Segun M. Rasaki, M.D.; Decision and Order

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-18

... DEPARTMENT OF JUSTICE Drug Enforcement Administration [Docket No. 12-28] Segun M. Rasaki, M.D...'s action at which he may ultimately prevail.'' Kamal Tiwari, M.D., 76 FR 71604, 71606 (2011); see....100(b), I order that DEA Certificate of Registration BR9738595, issued to Segun M. Rasaki, M.D., be...

76 FR 51412 - Joe C. Fermo, M.D.; Revocation of Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-18

... DEPARTMENT OF JUSTICE Drug Enforcement Administration Joe C. Fermo, M.D.; Revocation of... Enforcement Administration, issued an Order to Show Cause to Joe C. Fermo, M.D. (Registrant), of Tulsa... Order at 1 (citing 21 U.S.C. 823(f) and 824(a)(4)). The Show Cause Order specifically alleged that on...

Substance Use and Abuse Trajectories across Adolescence: A Latent Trajectory Analysis of a Community-Recruited Sample of Girls

ERIC Educational Resources Information Center

Marti, C. Nathan; Stice, Eric; Springer, David W.

2010-01-01

We used data from a school-based study of 496 adolescent girls to identify qualitatively distinct substance use and substance abuse developmental trajectory groups and tested whether the problematic groups differed from the non-problematic groups on baseline and outcome validation variables. Results identified four substance use groups (late…

Tree canopy change and neighborhood stability: A comparative analysis of Washington, D.C. and Baltimore, MD

Treesearch

Wen-Ching Chuang; Christopher G. Boone; Dexter H. Locke; J. Morgan Grove; Ali Whitmer; Geoffrey Buckley; Sainan Zhang

2017-01-01

Trees provide important health, ecosystem, and aesthetic services in urban areas, but they are unevenly distributed. Some neighborhoods have abundant tree canopy and others nearly none. We analyzed how neighborhood characteristics and changes in income over time related to the distribution of urban tree canopy in Washington, D.C. and Baltimore, MD. We used stepwise...

Trajectories of Nutritional Risk: The Manitoba Follow-Up Study.

PubMed

Lengyel, C O; Jiang, D; Tate, R B

2017-01-01

To identify patterns of nutritional risk among older men over a four-year period and to project their survival rates over the next two and a half years. A prospective longitudinal study. Canada. Three hundred and thirty-six male survivors of the Manitoba Follow-up Study (MFUS) cohort with an average age of 90 years in 2011. Four years of nutritional risk SCREEN II scores (five waves) from the male survivors of the MFUS cohort. The semi-parametric group-based trajectory approach and survival analysis were used to investigate the trajectories of nutritional risk. Of the participants, 30% lived alone. Five distinct developmental trajectory groups for nutritional risk score were identified. Significant statistical differences were found among the five trajectory groups for SF-36 mental health (p=.02), SF-36 physical health (p=<.001), perception of aging successfully (p=.04) and living alone (p=<.001). Among the five groups, the most pairwise differences were found in appetite, intake of meat and alternatives, and vegetables and fruit, weight change, skipping meals and eating with others. Men in the poorest nutritional risk trajectory group were two times more likely to die within a 2 1/2 year period compared to men in the best nutritional risk trajectory group (hazard rate = 2.33, p=.07). Distinct nutritional risk trajectories were found for older men over a four year period. Poor nutritional risk trajectories are associated with higher risk of mortality for very old men over a short period of time. Timely nutritional assessments by health professionals are needed to identify older men at nutritional risk. Subsequent nutrition education and follow-up may be important in preventing further decline.

Glucose trajectories in cystic fibrosis and their association with pulmonary function.

PubMed

Reynaud, Quitterie; Rabilloud, Muriel; Roche, Sylvain; Poupon-Bourdy, Stéphanie; Iwaz, Jean; Nove-Josserand, Raphaële; Blond, Emilie; Laville, Martine; Llerena, Cathy; Quetant, Sébastien; Reix, Philippe; Touzet, Sandrine; Durieu, Isabelle

2018-05-01

The prevalence of cystic fibrosis-related diabetes is increasing. This condition is potentially responsible for respiratory decline. At inclusion, then yearly (over three years), 111 children and 117 adults with cystic fibrosis had oral glucose tolerance and insulin tests at one (G1) and 2h (G2). KmL analysis identified homogeneous G1 and G2 glucose trajectories. A linear mixed model quantified the relationships between trajectories and FEV1 changes. In children, there were three G1 and four G2 trajectories and FEV1 decrease was not significantly different between G1 or G2 trajectories. In adults, two G1 and four G2 trajectories were identified and FEV1 change was estimated at -0.85/year (95% CI: [-1.54; -0.17], p=0.01) whatever the G1 trajectory and found significantly faster in the high and increasing G2 trajectory (-2.1/year, [-3.9; -0.2], p=0.03). In case of persistent G2 abnormality, physicians should be alert for clinical deterioration and intensify patient surveillance. Copyright © 2017 European Cystic Fibrosis Society. Published by Elsevier B.V. All rights reserved.

Integrated change detection and temporal trajectory analysis of coastal wetlands using high spatial resolution Korean Multi-Purpose Satellite series imagery

NASA Astrophysics Data System (ADS)

Nguyen, Hoang Hai; Tran, Hien; Sunwoo, Wooyeon; Yi, Jong-hyuk; Kim, Dongkyun; Choi, Minha

2017-04-01

A series of multispectral high-resolution Korean Multi-Purpose Satellite (KOMPSAT) images was used to detect the geographical changes in four different tidal flats between the Yellow Sea and the west coast of South Korea. The method of unsupervised classification was used to generate a series of land use/land cover (LULC) maps from satellite images, which were then used as input for temporal trajectory analysis to detect the temporal change of coastal wetlands and its association with natural and anthropogenic activities. The accurately classified LULC maps of KOMPSAT images, with overall accuracy ranging from 83.34% to 95.43%, indicate that these multispectral high-resolution satellite data are highly applicable to the generation of high-quality thematic maps for extracting wetlands. The result of the trajectory analysis showed that, while the variation of the tidal flats in the Gyeonggi and Jeollabuk provinces was well correlated with the regular tidal regimes, the reductive trajectory of the wetland areas belonging to the Saemangeum province was caused by a high degree of human-induced activities including large reclamation and urbanization. The conservation of the Jeungdo Wetland Protected Area in the Jeollanam province revealed that effective social and environmental policies could help in protecting coastal wetlands from degradation.

Arctic sea-ice diffusion from observed and simulated Lagrangian trajectories

NASA Astrophysics Data System (ADS)

Rampal, Pierre; Bouillon, Sylvain; Bergh, Jon; Ólason, Einar

2016-07-01

We characterize sea-ice drift by applying a Lagrangian diffusion analysis to buoy trajectories from the International Arctic Buoy Programme (IABP) dataset and from two different models: the standalone Lagrangian sea-ice model neXtSIM and the Eulerian coupled ice-ocean model used for the TOPAZ reanalysis. By applying the diffusion analysis to the IABP buoy trajectories over the period 1979-2011, we confirm that sea-ice diffusion follows two distinct regimes (ballistic and Brownian) and we provide accurate values for the diffusivity and integral timescale that could be used in Eulerian or Lagrangian passive tracers models to simulate the transport and diffusion of particles moving with the ice. We discuss how these values are linked to the evolution of the fluctuating displacements variance and how this information could be used to define the size of the search area around the position predicted by the mean drift. By comparing observed and simulated sea-ice trajectories for three consecutive winter seasons (2007-2011), we show how the characteristics of the simulated motion may differ from or agree well with observations. This comparison illustrates the usefulness of first applying a diffusion analysis to evaluate the output of modeling systems that include a sea-ice model before using these in, e.g., oil spill trajectory models or, more generally, to simulate the transport of passive tracers in sea ice.

Solar electric propulsion. [low thrust trajectory control

NASA Technical Reports Server (NTRS)

Barbieri, R. W.