Default parallels: The science potential of JWST parallel observations during TSO primary observations

The James Webb Space Telescope (JWST) will observe several stars for long cumulative durations while pursuing exoplanets as primary science targets for both Guaranteed Time Observations (GTO) and very likely General Observer (GO) programs. Here we argue in favor of an automatic default parallel program to observe, e.g., using the F200W/F277W filters or grism of NIRCAM/NIRISS in order to find high redshift (z (Formula Presented) 10) galaxies, cool red/brown dwarf substellar objects, solar system objects, and observations of serendipitous planetary transits. We argue here the need for automated exploratory astrophysical observations with unused JWST instruments during these long-duration exoplanet observations. Randomized fields that are observed in parallel mode reduce errors due to cosmic variance more effectively than single continuous fields of a typical wedding cake observing strategy. Hence, we argue that the proposed automated survey will explore a unique and rich discovery space in the high-redshift universe, Galactic structure, and solar system. We show that the GTO and highly probable GO target list of exoplanets covers the Galactic disk/halo and high redshift universe, mostly well out of the plane of the disk of the Milky Way. Exposure times are of the order of the CEERS GTO medium-deep survey in a single filter, comparable to CANDELS in Hubble Space Telescopeʼs surveys and deep fields. The area covered by NIRISS and NIRCam combined could accumulate to a half square degree surveyed

Default Parallels: The Science Potential Of JWST Parallel Observations During TSO Primary Observations

The James Webb Space Telescope (JWST) will observe several stars for long cumulative durations while pursuing exoplanets as primary science targets for both Guaranteed Time Observations (GTO) and very likely General Observer (GO) programs. Here we argue in favor of an automatic default parallels program to observe e.g., using the F200W/F277W filters or grism of NIRCAM/NIRISS in order to find high redshift (z >> 10) galaxies, cool red/brown dwarf-sub-stellar objects, Solar System objects, and observations of serendipitous planetary transits. We argue here the need for automated exploratory astrophysical observations with unused JWST instruments during these long duration exoplanet observations. Randomized fields that are observed in parallel mode reduce errors due to cosmic variance more effectively than single continuous fields of a typical wedding cake observing strategy (Trenti & Stiavelli 2008). Hence, we argue that the proposed automated survey will explore a unique and rich discovery space in high redshift Universe, Galactic structure, and Solar System. We show that the GTO and highly-probable GO target list of exoplanets covers the Galactic disk/halo and high redshift Universe, mostly well out of the plane of the disk of the Milky Way. Exposure times are of the order of the CEERS GTO medium deep survey in a single filter, comparable to CANDELS in HST's surveys and deep fields. The area covered by NIRISS and NIRCam combined could accumulate to a half square degree surveyed.Comment: 19 pages, 5 figures, 2 tables, accepted for publication by PAS

Role of the Subunits Interactions in the Conformational Transitions in Adult Human Hemoglobin: an Explicit Solvent Molecular Dynamics Study

Hemoglobin exhibits allosteric structural changes upon ligand binding due to the dynamic interactions between the ligand binding sites, the amino acids residues and some other solutes present under physiological conditions. In the present study, the dynamical and quaternary structural changes occurring in two unligated (deoxy-) T structures, and two fully ligated (oxy-) R, R2 structures of adult human hemoglobin were investigated with molecular dynamics. It is shown that, in the sub-microsecond time scale, there is no marked difference in the global dynamics of the amino acids residues in both the oxy- and the deoxy- forms of the individual structures. In addition, the R, R2 are relatively stable and do not present quaternary conformational changes within the time scale of our simulations while the T structure is dynamically more flexible and exhibited the T\rightarrow R quaternary conformational transition, which is propagated by the relative rotation of the residues at the {\alpha}1{\beta}2 and {\alpha}2{\beta}1 interface.Comment: Reprinted (adapted) with permission from J. Phys. Chem. B DOI:10.1021/jp3022908. Copyright (2012) American Chemical Societ

On the conservation of the slow conformational dynamics within the amino acid kinase family: NAGK the paradigm

N-Acetyl-L-Glutamate Kinase (NAGK) is the structural paradigm for examining the catalytic mechanisms and dynamics of amino acid kinase family members. Given that the slow conformational dynamics of the NAGK (at the microseconds time scale or slower) may be rate-limiting, it is of importance to assess the mechanisms of the most cooperative modes of motion intrinsically accessible to this enzyme. Here, we present the results from normal mode analysis using an elastic network model representation, which shows that the conformational mechanisms for substrate binding by NAGK strongly correlate with the intrinsic dynamics of the enzyme in the unbound form. We further analyzed the potential mechanisms of allosteric signalling within NAGK using a Markov model for network communication. Comparative analysis of the dynamics of family members strongly suggests that the low-frequency modes of motion and the associated intramolecular couplings that establish signal transduction are highly conserved among family members, in support of the paradigm sequence→structure→dynamics→function © 2010 Marcos et al

Inward Bound: Studying the Galactic Centre with NAOS/CONICA

We report on the first results obtained using adaptive optics measurements of the Galactic Centre done with NAOS/CONICA.Comment: 19 pages, 7 figure

Closest Star Seen Orbiting the Supermassive Black Hole at the Centre of the Milky Way

Measurements of stellar velocities and variable X-ray emission near the centre of the Milky Way have provided the strongest evidence so far that the dark mass concentrations seen in many galactic nuclei are likely supermassive black holes, but have not yet excluded several alternative configurations. Here we report ten years of high resolution astrometric imaging that allow us to trace two thirds of the orbit of the star currently closest to the compact radio source and massive black hole candidate SgrA*. In particular, we have observed both peri- and apocentre passages. Our observations show that the star is on a bound, highly elliptical Keplerian orbit around SgrA*, with an orbital period of 15.2 years and a peri-centre distance of only 17 light hours. The orbital elements require an enclosed point mass of 3.7+-1.5x10^6 solar masses. The data exclude with high confidence that the central dark mass consists of a cluster of astrophysical objects or massive, degenerate fermions, and strongly constrain the central density structure.Comment: 13 pages, 3 figures, scheduled for publication in Nature on 17 Oct 200

Allosteric Transitions of Supramolecular Systems Explored by Network Models: Application to Chaperonin GroEL

Identification of pathways involved in the structural transitions of biomolecular systems is often complicated by the transient nature of the conformations visited across energy barriers and the multiplicity of paths accessible in the multidimensional energy landscape. This task becomes even more challenging in exploring molecular systems on the order of megadaltons. Coarse-grained models that lend themselves to analytical solutions appear to be the only possible means of approaching such cases. Motivated by the utility of elastic network models for describing the collective dynamics of biomolecular systems and by the growing theoretical and experimental evidence in support of the intrinsic accessibility of functional substates, we introduce a new method, adaptive anisotropic network model (aANM), for exploring functional transitions. Application to bacterial chaperonin GroEL and comparisons with experimental data, results from action minimization algorithm, and previous simulations support the utility of aANM as a computationally efficient, yet physically plausible, tool for unraveling potential transition pathways sampled by large complexes/assemblies. An important outcome is the assessment of the critical inter-residue interactions formed/broken near the transition state(s), most of which involve conserved residues

Nonrenewable Resources, Strategic Behavior and the Hotelling Rule: An Experiment

This study uses the methods of experimental economics to investigate possible causes for the failure of the Hotelling rule for nonrenewable resources. We argue that as long as resource stocks are large enough, producers may choose to (partially) ignore the dynamic component of their production decision, shifting production to the present and focusing more on strategic behavior. We experimentally vary stock size in a nonrenewable resource duopoly setting and find that producers with large stocks indeed pay significantly less attention to variables related to dynamic optimization,leading to a failure of the Hotelling rule

The Influence of Radiographic Phenotype and Smoking Status on Peripheral Blood Biomarker Patterns in Chronic Obstructive Pulmonary Disease

Background: Chronic obstructive pulmonary disease (COPD) is characterized by both airway remodeling and parenchymal destruction. The identification of unique biomarker patterns associated with airway dominant versus parenchymal dominant patterns would support the existence of unique phenotypes representing independent biologic processes. A cross-sectional study was performed to examine the association of serum biomarkers with radiographic airway and parenchymal phenotypes of COPD. Methodology/Principal Findings: Serum from 234 subjects enrolled in a CT screening cohort was analyzed for 33 cytokines and growth factors using a multiplex protein array. The association of serum markers with forced expiratory volume in one second percent predicted (FEV1%) and quantitative CT measurements of airway thickening and emphysema was assessed with and without stratification for current smoking status. Significant associations were found with several serum inflammatory proteins and measurements of FEV1%, airway thickening, and parenchymal emphysema independent of smoking status. The association of select analytes with airway thickening and emphysema was independent of FEV1%. Furthermore, the relationship between other inflammatory markers and measurements of physiologic obstruction or airway thickening was dependent on current smoking status. Conclusions/Significance: Airway and parenchymal phenotypes of COPD are associated with unique systemic serum biomarker profiles. Serum biomarker patterns may provide a more precise classification of the COPD syndrome, provide insights into disease pathogenesis and identify targets for novel patient-specific biological therapies. © 2009 Bon et al

Changes in Dynamics upon Oligomerization Regulate Substrate Binding and Allostery in Amino Acid Kinase Family Members

Oligomerization is a functional requirement for many proteins. The interfacial interactions and the overall packing geometry of the individual monomers are viewed as important determinants of the thermodynamic stability and allosteric regulation of oligomers. The present study focuses on the role of the interfacial interactions and overall contact topology in the dynamic features acquired in the oligomeric state. To this aim, the collective dynamics of enzymes belonging to the amino acid kinase family both in dimeric and hexameric forms are examined by means of an elastic network model, and the softest collective motions (i.e., lowest frequency or global modes of motions) favored by the overall architecture are analyzed. Notably, the lowest-frequency modes accessible to the individual subunits in the absence of multimerization are conserved to a large extent in the oligomer, suggesting that the oligomer takes advantage of the intrinsic dynamics of the individual monomers. At the same time, oligomerization stiffens the interfacial regions of the monomers and confers new cooperative modes that exploit the rigid-body translational and rotational degrees of freedom of the intact monomers. The present study sheds light on the mechanism of cooperative inhibition of hexameric N-acetyl-L-glutamate kinase by arginine and on the allosteric regulation of UMP kinases. It also highlights the significance of the particular quaternary design in selectively determining the oligomer dynamics congruent with required ligand-binding and allosteric activities